*HEADER    UNKNOWN FUNCTION                        10-MAY-05   1X3Q              
*TITLE     3D SOLUTION STRUCTURE OF THE CHROMO-2 DOMAIN OF CPSRP43               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CPSRP43;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CHROMO-2 DOMAIN;                                           
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
*SOURCE   3 ORGANISM_COMMON: THALE CRESS;                                        
*SOURCE   4 TISSUE: CHLOROPLAST;                                                 
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    CHROMO-2 DOMAIN, CPSRP43, LHCP, THYLAKOID, PROTEIN                    
*KEYWDS   2 TRANSLOCATION                                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    V.SIVARAJA, T.K.S.KUMAR, R.HENRY, C.YU                                
*REVDAT   1   10-MAY-06 1X3Q    0                                                

 ASSI {    1}
   (( segid "    " and resid 29   and name HE1 ))
   (( segid "    " and resid 29   and name HZ2 ))
      3.200     1.300     1.300 peak     1 spectrum    1 weight  0.10000E+01 volume  0.15846E-02 ppm1     10.125 ppm2      6.970 CV     1
 ASSI {    3}
   (( segid "    " and resid 29   and name HE1 ))
   (( segid "    " and resid 29   and name HD1 ))
      2.600     0.800     0.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.41077E-02 ppm1     10.125 ppm2      7.063 CV     1
 ASSI {    4}
   (( segid "    " and resid 29   and name HE1 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.700     1.700     1.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.10776E-02 ppm1     10.124 ppm2      2.013 CV     1
 ASSI {    6}
   (( segid "    " and resid 37   and name HE1 ))
   (( segid "    " and resid 37   and name HZ2 ))
      3.000     1.100     1.100 peak     6 spectrum    1 weight  0.10000E+01 volume  0.25025E-02 ppm1     10.069 ppm2      7.287 CV     1
 ASSI {    9}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     1.700     1.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.82691E-03 ppm1      9.795 ppm2      9.193 CV     1
 ASSI {   11}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.700     1.700     1.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.66745E-03 ppm1      9.798 ppm2      2.816 CV     1
 ASSI {   27}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      4.900     3.000     1.100 peak    27 spectrum    1 weight  0.10000E+01 volume  0.49915E-03 ppm1      9.194 ppm2      2.200 CV     1
 ASSI {   29}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.200     2.200     1.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.55696E-03 ppm1      9.193 ppm2      1.987 CV     1
 ASSI {   37}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 29   and name HZ3 ))
      4.200     2.200     1.800 peak    37 spectrum    1 weight  0.10000E+01 volume  0.63492E-03 ppm1      9.053 ppm2      7.505 CV     1
 ASSI {   38}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.200     0.600     0.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.17573E-02 ppm1      9.053 ppm2      7.226 CV     1
 ASSI {   47}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 28   and name HG1 ))
      4.800     2.900     1.200 peak    47 spectrum    1 weight  0.10000E+01 volume  0.40824E-03 ppm1      9.054 ppm2      1.337 CV     1
 OR {   47}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {   49}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.700     3.700     2.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.11070E-02 ppm1      9.053 ppm2      0.498 CV     1
 ASSI {   51}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.400     1.400 peak    51 spectrum    1 weight  0.10000E+01 volume  0.56991E-03 ppm1      8.970 ppm2      6.896 CV     1
 ASSI {   58}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.19244E-02 ppm1      8.913 ppm2      7.223 CV     1
 ASSI {   60}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.300     1.300 peak    60 spectrum    1 weight  0.10000E+01 volume  0.79941E-03 ppm1      8.913 ppm2      3.879 CV     1
 ASSI {   71}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.400     3.400     2.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.21186E-02 ppm1      8.685 ppm2      2.247 CV     1
 ASSI {   78}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      2.700     0.900     0.900 peak    78 spectrum    1 weight  0.10000E+01 volume  0.15812E-02 ppm1      8.491 ppm2      1.837 CV     1
 ASSI {   80}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.000     2.000     2.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.12885E-02 ppm1      8.568 ppm2      2.134 CV     1
 ASSI {   81}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.100     1.200     1.200 peak    81 spectrum    1 weight  0.10000E+01 volume  0.83068E-03 ppm1      8.743 ppm2      2.023 CV     1
 ASSI {   83}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 27   and name HB  ))
      3.700     1.700     1.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.66146E-03 ppm1      8.727 ppm2      1.224 CV     1
 ASSI {   86}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.000     1.100     1.100 peak    86 spectrum    1 weight  0.10000E+01 volume  0.93643E-03 ppm1      8.698 ppm2      7.646 CV     1
 ASSI {   92}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.45812E-02 ppm1      8.711 ppm2      2.600 CV     1
 ASSI {   95}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA2 ))
      2.800     1.000     1.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.21037E-02 ppm1      8.676 ppm2      3.825 CV     1
 ASSI {   97}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA1 ))
      2.300     0.700     0.700 peak    97 spectrum    1 weight  0.10000E+01 volume  0.23200E-02 ppm1      8.677 ppm2      3.705 CV     1
 ASSI {  102}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.300     1.400     1.400 peak   102 spectrum    1 weight  0.10000E+01 volume  0.15130E-02 ppm1      8.691 ppm2      2.816 CV     1
 ASSI {  103}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.100     1.200     1.200 peak   103 spectrum    1 weight  0.10000E+01 volume  0.39087E-02 ppm1      8.480 ppm2      2.910 CV     1
 ASSI {  105}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.700     0.900     0.900 peak   105 spectrum    1 weight  0.10000E+01 volume  0.29145E-02 ppm1      8.680 ppm2      1.596 CV     1
 OR {  105}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  106}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      2.600     0.900     0.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.25460E-02 ppm1      8.676 ppm2      1.333 CV     1
 OR {  106}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI {  108}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     0.700     0.700 peak   108 spectrum    1 weight  0.10000E+01 volume  0.17387E-02 ppm1      8.595 ppm2      8.126 CV     1
 ASSI {  109}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.600     1.600 peak   109 spectrum    1 weight  0.10000E+01 volume  0.48905E-03 ppm1      8.600 ppm2      7.792 CV     1
 ASSI {  115}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.300     2.300     1.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.72081E-03 ppm1      8.501 ppm2      7.688 CV     1
 ASSI {  117}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak   117 spectrum    1 weight  0.10000E+01 volume  0.12468E-02 ppm1      8.479 ppm2      7.470 CV     1
 ASSI {  119}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 51   and name HD% )
      3.700     1.700     1.700 peak   119 spectrum    1 weight  0.10000E+01 volume  0.16891E-02 ppm1      8.483 ppm2      6.964 CV     1
 ASSI {  124}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      5.200     3.300     0.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.45560E-03 ppm1      8.493 ppm2      2.592 CV     1
 ASSI {  125}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      3.900     1.900     1.900 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10915E-02 ppm1      8.479 ppm2      2.423 CV     1
 ASSI {  126}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      2.600     0.800     0.800 peak   126 spectrum    1 weight  0.10000E+01 volume  0.22142E-02 ppm1      8.495 ppm2      1.143 CV     1
 ASSI {  129}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      3.000     1.100     1.100 peak   129 spectrum    1 weight  0.10000E+01 volume  0.11360E-02 ppm1      8.319 ppm2      6.802 CV     1
 ASSI {  135}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      4.300     2.300     1.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.10198E-02 ppm1      8.135 ppm2      1.333 CV     1
 OR {  135}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI {  139}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB  ))
      4.300     2.300     1.700 peak   139 spectrum    1 weight  0.10000E+01 volume  0.46412E-03 ppm1      8.133 ppm2      1.204 CV     1
 ASSI {  147}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak   147 spectrum    1 weight  0.10000E+01 volume  0.89791E-03 ppm1      8.302 ppm2      2.770 CV     1
 ASSI {  154}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.200     2.200     1.800 peak   154 spectrum    1 weight  0.10000E+01 volume  0.12099E-02 ppm1      8.303 ppm2      2.598 CV     1
 ASSI {  157}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB  ))
      2.800     1.000     1.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.19136E-02 ppm1      8.294 ppm2      1.207 CV     1
 ASSI {  161}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.13033E-02 ppm1      8.271 ppm2      7.893 CV     1
 ASSI {  162}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.400     0.700     0.700 peak   162 spectrum    1 weight  0.10000E+01 volume  0.13387E-02 ppm1      8.269 ppm2      7.777 CV     1
 ASSI {  166}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HD2 ))
      3.800     1.800     1.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.59200E-03 ppm1      8.074 ppm2      6.986 CV     1
 ASSI {  170}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.81395E-03 ppm1      8.073 ppm2      7.520 CV     1
 ASSI {  186}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      4.200     2.200     1.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.28656E-03 ppm1      8.022 ppm2      4.063 CV     1
 ASSI {  190}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.400     1.500     1.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.70820E-03 ppm1      7.999 ppm2      7.602 CV     1
 ASSI {  193}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.400     1.400     1.400 peak   193 spectrum    1 weight  0.10000E+01 volume  0.59959E-03 ppm1      7.999 ppm2      1.647 CV     1
 ASSI {  196}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HD% )
      4.200     2.200     1.800 peak   196 spectrum    1 weight  0.10000E+01 volume  0.83256E-03 ppm1      7.956 ppm2      7.177 CV     1
 ASSI {  201}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      3.800     1.800     1.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.61506E-03 ppm1      7.930 ppm2      3.896 CV     1
 OR {  201}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
 ASSI {  204}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.200     0.600     0.600 peak   204 spectrum    1 weight  0.10000E+01 volume  0.33088E-02 ppm1      7.914 ppm2      2.631 CV     1
 ASSI {  206}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.900     0.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.89888E-03 ppm1      7.894 ppm2      7.469 CV     1
 ASSI {  210}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 42   and name HD2 ))
      4.900     3.000     1.100 peak   210 spectrum    1 weight  0.10000E+01 volume  0.62134E-03 ppm1      7.872 ppm2      6.986 CV     1
 ASSI {  211}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak   211 spectrum    1 weight  0.10000E+01 volume  0.15452E-02 ppm1      7.793 ppm2      8.068 CV     1
 ASSI {  213}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.700     1.700     1.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.43823E-03 ppm1      7.799 ppm2      4.262 CV     1
 ASSI {  216}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.700     1.700     1.700 peak   216 spectrum    1 weight  0.10000E+01 volume  0.50959E-03 ppm1      7.775 ppm2      3.569 CV     1
 ASSI {  218}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      2.400     0.700     0.700 peak   218 spectrum    1 weight  0.10000E+01 volume  0.25186E-02 ppm1      7.792 ppm2      2.051 CV     1
 ASSI {  221}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     1.000     1.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.13362E-02 ppm1      7.782 ppm2      7.173 CV     1
 ASSI {  223}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HD% )
      3.700     1.700     1.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.60998E-03 ppm1      7.597 ppm2      7.070 CV     1
 ASSI {  240}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      2.800     2.800     3.200 peak   240 spectrum    1 weight  0.10000E+01 volume  0.75300E-02 ppm1      7.448 ppm2      6.803 CV     1
 ASSI {  242}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      2.900     1.100     1.100 peak   242 spectrum    1 weight  0.10000E+01 volume  0.16891E-02 ppm1      7.524 ppm2      2.076 CV     1
 ASSI {  243}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      3.500     1.500     1.500 peak   243 spectrum    1 weight  0.10000E+01 volume  0.11616E-02 ppm1      7.520 ppm2      1.948 CV     1
 ASSI {  248}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HE% )
      4.100     2.100     1.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.31510E-02 ppm1      7.506 ppm2      6.596 CV     1
 ASSI {  252}
   (( segid "    " and resid 29   and name HZ3 ))
   (( segid "    " and resid 28   and name HD2 ))
      4.000     2.000     2.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.19358E-02 ppm1      7.504 ppm2      3.087 CV     1
 ASSI {  253}
   (( segid "    " and resid 29   and name HZ3 ))
   (( segid "    " and resid 9    and name HB2 ))
      3.200     1.200     1.200 peak   253 spectrum    1 weight  0.10000E+01 volume  0.11701E-02 ppm1      7.505 ppm2      2.229 CV     1
 ASSI {  255}
   (( segid "    " and resid 29   and name HZ3 ))
   (( segid "    " and resid 28   and name HG2 ))
      3.400     1.500     1.500 peak   255 spectrum    1 weight  0.10000E+01 volume  0.70694E-03 ppm1      7.493 ppm2      1.330 CV     1
 OR {  255}
   (( segid "    " and resid 29   and name HZ3 ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI {  261}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.200     0.600     0.600 peak   261 spectrum    1 weight  0.10000E+01 volume  0.33878E-02 ppm1      7.472 ppm2      2.924 CV     1
 ASSI {  262}
   (( segid "    " and resid 29   and name HZ3 ))
   (( segid "    " and resid 31   and name HB2 ))
      4.400     2.400     1.600 peak   262 spectrum    1 weight  0.10000E+01 volume  0.77606E-03 ppm1      7.475 ppm2      2.744 CV     1
 ASSI {  264}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.900     1.100     1.100 peak   264 spectrum    1 weight  0.10000E+01 volume  0.85659E-03 ppm1      7.319 ppm2      7.649 CV     1
 ASSI {  266}
   (( segid "    " and resid 37   and name HZ2 ))
   (( segid "    " and resid 37   and name HZ3 ))
      5.000     3.200     1.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.65102E-03 ppm1      7.280 ppm2      6.674 CV     1
 ASSI {  267}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.400     1.400 peak   267 spectrum    1 weight  0.10000E+01 volume  0.67567E-03 ppm1      7.314 ppm2      7.993 CV     1
 ASSI {  269}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA2 ))
      4.500     2.500     1.500 peak   269 spectrum    1 weight  0.10000E+01 volume  0.44391E-03 ppm1      7.307 ppm2      3.991 CV     1
 ASSI {  271}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.100     1.100 peak   271 spectrum    1 weight  0.10000E+01 volume  0.17915E-02 ppm1      7.179 ppm2      4.600 CV     1
 ASSI {  274}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.900     1.100     1.100 peak   274 spectrum    1 weight  0.10000E+01 volume  0.18581E-02 ppm1      7.313 ppm2      1.647 CV     1
 ASSI {  284}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 9    and name HB2 ))
      3.800     1.800     1.800 peak   284 spectrum    1 weight  0.10000E+01 volume  0.14324E-02 ppm1      7.180 ppm2      2.230 CV     1
 ASSI {  285}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      2.200     0.600     0.600 peak   285 spectrum    1 weight  0.10000E+01 volume  0.34257E-02 ppm1      7.175 ppm2      1.932 CV     1
 ASSI {  286}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
      2.300     0.700     0.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.26095E-02 ppm1      7.226 ppm2      2.387 CV     1
 ASSI {  287}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.200     0.600     0.600 peak   287 spectrum    1 weight  0.10000E+01 volume  0.13794E-02 ppm1      7.219 ppm2      2.147 CV     1
 ASSI {  288}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 9    and name HG2 ))
      3.600     1.600     1.600 peak   288 spectrum    1 weight  0.10000E+01 volume  0.10924E-02 ppm1      7.179 ppm2      2.332 CV     1
 ASSI {  297}
   (( segid "    " and resid 37   and name HD1 ))
   (( segid "    " and resid 37   and name HE1 ))
      2.500     0.800     0.800 peak   297 spectrum    1 weight  0.10000E+01 volume  0.57494E-02 ppm1      7.165 ppm2     10.066 CV     1
 ASSI {  298}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   298 spectrum    1 weight  0.10000E+01 volume  0.21252E-02 ppm1      7.165 ppm2      8.723 CV     1
 ASSI {  302}
   (  segid "    " and resid 7    and name HD% )
   (  segid "    " and resid 7    and name HE% )
      2.000     0.500     0.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.14173E-01 ppm1      7.175 ppm2      6.726 CV     1
 ASSI {  303}
   (( segid "    " and resid 37   and name HD1 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.300     3.300     2.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.16598E-02 ppm1      7.184 ppm2      3.438 CV     1
 ASSI {  304}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.12377E-02 ppm1      7.174 ppm2      3.569 CV     1
 ASSI {  309}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 7    and name HB2 ))
      2.200     0.600     0.600 peak   309 spectrum    1 weight  0.10000E+01 volume  0.67944E-02 ppm1      7.178 ppm2      2.867 CV     1
 ASSI {  315}
   (  segid "    " and resid 51   and name HD% )
   (  segid "    " and resid 51   and name HE% )
      1.900     0.500     0.500 peak   315 spectrum    1 weight  0.10000E+01 volume  0.10646E-01 ppm1      6.965 ppm2      6.596 CV     1
 ASSI {  317}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 38   and name HA  ))
      4.100     2.100     1.900 peak   317 spectrum    1 weight  0.10000E+01 volume  0.80699E-03 ppm1      7.066 ppm2      4.685 CV     1
 ASSI {  318}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 29   and name HB2 ))
      3.800     1.800     1.800 peak   318 spectrum    1 weight  0.10000E+01 volume  0.11111E-02 ppm1      7.064 ppm2      3.491 CV     1
 ASSI {  320}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 35   and name HB2 ))
      3.600     1.600     1.600 peak   320 spectrum    1 weight  0.10000E+01 volume  0.50988E-03 ppm1      7.064 ppm2      2.765 CV     1
 ASSI {  323}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 39   and name HN  ))
      3.700     1.700     1.700 peak   323 spectrum    1 weight  0.10000E+01 volume  0.52409E-03 ppm1      6.982 ppm2      8.980 CV     1
 ASSI {  327}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.400     1.400     1.400 peak   327 spectrum    1 weight  0.10000E+01 volume  0.55696E-03 ppm1      6.986 ppm2      3.440 CV     1
 ASSI {  330}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 52   and name HB2 ))
      3.400     1.500     1.500 peak   330 spectrum    1 weight  0.10000E+01 volume  0.13955E-02 ppm1      6.978 ppm2      1.943 CV     1
 ASSI {  331}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 39   and name HB2 ))
      3.500     1.500     1.500 peak   331 spectrum    1 weight  0.10000E+01 volume  0.58127E-03 ppm1      6.977 ppm2      2.100 CV     1
 ASSI {  332}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      2.500     0.800     0.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.38140E-02 ppm1      6.897 ppm2      1.716 CV     1
 ASSI {  340}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 51   and name HN  ))
      4.400     2.400     1.600 peak   340 spectrum    1 weight  0.10000E+01 volume  0.97215E-03 ppm1      6.962 ppm2      7.470 CV     1
 ASSI {  341}
   (  segid "    " and resid 51   and name HD% )
   (  segid "    " and resid 25   and name HE% )
      2.700     0.900     0.900 peak   341 spectrum    1 weight  0.10000E+01 volume  0.24536E-02 ppm1      6.955 ppm2      6.688 CV     1
 ASSI {  343}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 52   and name HA  ))
      3.800     1.800     1.800 peak   343 spectrum    1 weight  0.10000E+01 volume  0.81743E-03 ppm1      6.964 ppm2      3.866 CV     1
 ASSI {  352}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.600     1.700     1.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.13697E-02 ppm1      6.929 ppm2      2.816 CV     1
 ASSI {  354}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   354 spectrum    1 weight  0.10000E+01 volume  0.23411E-02 ppm1      6.893 ppm2      7.927 CV     1
 ASSI {  366}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 40   and name HA1 ))
      3.200     1.200     1.200 peak   366 spectrum    1 weight  0.10000E+01 volume  0.15916E-02 ppm1      6.801 ppm2      3.710 CV     1
 ASSI {  367}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 51   and name HB2 ))
      3.900     1.900     1.900 peak   367 spectrum    1 weight  0.10000E+01 volume  0.31794E-03 ppm1      6.799 ppm2      2.936 CV     1
 ASSI {  368}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 46   and name HB2 ))
      2.700     2.700     3.300 peak   368 spectrum    1 weight  0.10000E+01 volume  0.30550E-02 ppm1      6.802 ppm2      2.702 CV     1
 ASSI {  369}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 15   and name HG2 ))
      3.500     1.600     1.600 peak   369 spectrum    1 weight  0.10000E+01 volume  0.17223E-02 ppm1      6.721 ppm2      2.398 CV     1
 ASSI {  370}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 25   and name HB2 ))
      2.500     0.800     0.800 peak   370 spectrum    1 weight  0.10000E+01 volume  0.29767E-02 ppm1      6.801 ppm2      2.293 CV     1
 ASSI {  371}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 43   and name HB  ))
      3.200     1.200     1.200 peak   371 spectrum    1 weight  0.10000E+01 volume  0.11038E-02 ppm1      6.800 ppm2      2.055 CV     1
 ASSI {  372}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 43   and name HB  ))
      3.900     1.900     1.900 peak   372 spectrum    1 weight  0.10000E+01 volume  0.10435E-02 ppm1      6.685 ppm2      2.054 CV     1
 ASSI {  374}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 49   and name HB2 ))
      3.300     3.300     2.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.22389E-02 ppm1      6.800 ppm2      1.838 CV     1
 ASSI {  377}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 56   and name HB2 ))
      3.400     3.400     2.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.11752E-02 ppm1      6.723 ppm2      1.976 CV     1
 ASSI {  379}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 27   and name HB  ))
      4.000     2.000     2.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.81144E-03 ppm1      6.802 ppm2      1.217 CV     1
 ASSI {  390}
   (( segid "    " and resid 37   and name HH2 ))
   (( segid "    " and resid 37   and name HZ2 ))
      2.700     0.900     0.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.52221E-02 ppm1      6.725 ppm2      7.283 CV     1
 OR {  390}
   (( segid "    " and resid 37   and name HZ3 ))
   (( segid "    " and resid 37   and name HZ2 ))
 ASSI {  394}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 26   and name HN  ))
      4.000     2.000     2.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.10365E-02 ppm1      6.684 ppm2      8.320 CV     1
 ASSI {  415}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 25   and name HD% )
      2.900     1.000     1.000 peak   415 spectrum    1 weight  0.10000E+01 volume  0.88119E-03 ppm1      5.642 ppm2      6.803 CV     1
 ASSI {  416}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak   416 spectrum    1 weight  0.10000E+01 volume  0.26190E-02 ppm1      5.644 ppm2      9.190 CV     1
 ASSI {  417}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.000     1.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.67316E-03 ppm1      5.646 ppm2      8.732 CV     1
 ASSI {  418}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.200     1.300     1.300 peak   418 spectrum    1 weight  0.10000E+01 volume  0.96423E-03 ppm1      5.647 ppm2      8.319 CV     1
 ASSI {  420}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 25   and name HE% )
      3.000     1.100     1.100 peak   420 spectrum    1 weight  0.10000E+01 volume  0.22098E-02 ppm1      5.644 ppm2      6.674 CV     1
 ASSI {  427}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      3.300     1.400     1.400 peak   427 spectrum    1 weight  0.10000E+01 volume  0.78964E-03 ppm1      5.536 ppm2      8.491 CV     1
 ASSI {  432}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.400     1.400 peak   432 spectrum    1 weight  0.10000E+01 volume  0.10473E-02 ppm1      5.305 ppm2      8.382 CV     1
 ASSI {  433}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HD% )
      2.700     0.900     0.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.24302E-02 ppm1      5.299 ppm2      6.801 CV     1
 ASSI {  434}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.800     1.000     1.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.11524E-02 ppm1      5.301 ppm2      9.194 CV     1
 ASSI {  436}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HE% )
      3.900     1.900     1.900 peak   436 spectrum    1 weight  0.10000E+01 volume  0.15430E-02 ppm1      5.300 ppm2      6.680 CV     1
 ASSI {  437}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 16   and name HA  ))
      4.000     2.000     2.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.12405E-02 ppm1      5.299 ppm2      5.642 CV     1
 ASSI {  439}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.100     1.200     1.200 peak   439 spectrum    1 weight  0.10000E+01 volume  0.10201E-02 ppm1      5.300 ppm2      2.295 CV     1
 ASSI {  441}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.32583E-02 ppm1      4.984 ppm2      9.794 CV     1
 ASSI {  442}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      4.700     2.700     1.300 peak   442 spectrum    1 weight  0.10000E+01 volume  0.51056E-03 ppm1      4.980 ppm2      9.203 CV     1
 ASSI {  445}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.300     0.700     0.700 peak   445 spectrum    1 weight  0.10000E+01 volume  0.31147E-02 ppm1      4.353 ppm2      8.672 CV     1
 ASSI {  447}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.500     2.500     3.500 peak   447 spectrum    1 weight  0.10000E+01 volume  0.78867E-02 ppm1      4.778 ppm2      8.299 CV     1
 ASSI {  452}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.200     2.200     3.800 peak   452 spectrum    1 weight  0.10000E+01 volume  0.29154E-02 ppm1      4.771 ppm2      8.788 CV     1
 ASSI {  455}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak   455 spectrum    1 weight  0.10000E+01 volume  0.44802E-02 ppm1      4.713 ppm2      8.493 CV     1
 ASSI {  459}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.200     1.300     1.300 peak   459 spectrum    1 weight  0.10000E+01 volume  0.84078E-03 ppm1      4.990 ppm2      8.695 CV     1
 ASSI {  460}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      4.000     2.000     2.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.12348E-02 ppm1      4.987 ppm2      8.290 CV     1
 ASSI {  464}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak   464 spectrum    1 weight  0.10000E+01 volume  0.17450E-02 ppm1      4.985 ppm2      2.816 CV     1
 ASSI {  466}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.300     1.400     1.400 peak   466 spectrum    1 weight  0.10000E+01 volume  0.14034E-02 ppm1      4.849 ppm2      2.198 CV     1
 ASSI {  470}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.100     1.200     1.200 peak   470 spectrum    1 weight  0.10000E+01 volume  0.13750E-02 ppm1      4.900 ppm2      8.071 CV     1
 ASSI {  471}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   471 spectrum    1 weight  0.10000E+01 volume  0.14864E-02 ppm1      4.897 ppm2      7.790 CV     1
 ASSI {  477}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.100     1.200     1.200 peak   477 spectrum    1 weight  0.10000E+01 volume  0.28479E-02 ppm1      4.906 ppm2      3.476 CV     1
 ASSI {  478}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.800     1.800     1.800 peak   478 spectrum    1 weight  0.10000E+01 volume  0.87205E-03 ppm1      4.885 ppm2      3.431 CV     1
 ASSI {  480}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
      3.400     1.400     1.400 peak   480 spectrum    1 weight  0.10000E+01 volume  0.14682E-02 ppm1      4.913 ppm2      3.072 CV     1
 ASSI {  488}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.200     3.200     2.800 peak   488 spectrum    1 weight  0.10000E+01 volume  0.23528E-02 ppm1      4.852 ppm2      2.002 CV     1
 ASSI {  492}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      4.700     2.800     1.300 peak   492 spectrum    1 weight  0.10000E+01 volume  0.55947E-03 ppm1      4.912 ppm2      1.336 CV     1
 OR {  492}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI {  498}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.600     0.900     0.900 peak   498 spectrum    1 weight  0.10000E+01 volume  0.30585E-02 ppm1      4.689 ppm2      8.980 CV     1
 ASSI {  499}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.000     1.100     1.100 peak   499 spectrum    1 weight  0.10000E+01 volume  0.13589E-02 ppm1      4.631 ppm2      9.051 CV     1
 ASSI {  500}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      4.000     2.000     2.000 peak   500 spectrum    1 weight  0.10000E+01 volume  0.13961E-02 ppm1      4.779 ppm2      8.970 CV     1
 ASSI {  503}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.900     0.900 peak   503 spectrum    1 weight  0.10000E+01 volume  0.22227E-02 ppm1      4.801 ppm2      6.891 CV     1
 ASSI {  505}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
      5.100     3.200     0.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.34825E-03 ppm1      4.850 ppm2      4.352 CV     1
 ASSI {  507}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 20   and name HA2 ))
      2.300     2.300     3.700 peak   507 spectrum    1 weight  0.10000E+01 volume  0.24608E-02 ppm1      4.769 ppm2      3.895 CV     1
 OR {  507}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 20   and name HA1 ))
 ASSI {  514}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.900     1.000     1.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.30872E-02 ppm1      4.709 ppm2      2.766 CV     1
 ASSI {  516}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.600     0.800     0.800 peak   516 spectrum    1 weight  0.10000E+01 volume  0.53328E-02 ppm1      4.807 ppm2      2.908 CV     1
 ASSI {  518}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.200     1.200 peak   518 spectrum    1 weight  0.10000E+01 volume  0.26888E-02 ppm1      4.774 ppm2      7.799 CV     1
 ASSI {  523}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.41298E-02 ppm1      4.780 ppm2      7.929 CV     1
 ASSI {  525}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 37   and name HZ2 ))
      3.600     1.600     1.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.10962E-02 ppm1      4.779 ppm2      7.293 CV     1
 ASSI {  528}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 37   and name HH2 ))
      3.700     1.700     1.700 peak   528 spectrum    1 weight  0.10000E+01 volume  0.11931E-02 ppm1      4.777 ppm2      6.726 CV     1
 ASSI {  540}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.89922E-03 ppm1      4.689 ppm2      9.795 CV     1
 ASSI {  543}
   (( segid "    " and resid 40   and name HA2 ))
   (( segid "    " and resid 24   and name HA  ))
      2.800     2.800     3.200 peak   543 spectrum    1 weight  0.10000E+01 volume  0.55788E-02 ppm1      3.813 ppm2      4.863 CV     1
 ASSI {  545}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 17   and name HA  ))
      3.700     1.700     1.700 peak   545 spectrum    1 weight  0.10000E+01 volume  0.21188E-02 ppm1      4.215 ppm2      4.863 CV     1
 ASSI {  547}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     3.200     2.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.30562E-02 ppm1      4.212 ppm2      4.996 CV     1
 ASSI {  551}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.900     1.100     1.100 peak   551 spectrum    1 weight  0.10000E+01 volume  0.31384E-02 ppm1      4.630 ppm2      2.149 CV     1
 ASSI {  552}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      2.800     1.000     1.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.24112E-02 ppm1      4.692 ppm2      2.100 CV     1
 ASSI {  553}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.700     0.900     0.900 peak   553 spectrum    1 weight  0.10000E+01 volume  0.25729E-02 ppm1      4.535 ppm2      1.730 CV     1
 ASSI {  555}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.200     1.300     1.300 peak   555 spectrum    1 weight  0.10000E+01 volume  0.19326E-02 ppm1      4.467 ppm2      2.006 CV     1
 ASSI {  556}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.800     1.000     1.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.30651E-02 ppm1      4.580 ppm2      1.907 CV     1
 ASSI {  558}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.600     2.600     3.400 peak   558 spectrum    1 weight  0.10000E+01 volume  0.12995E-02 ppm1      4.464 ppm2      1.938 CV     1
 ASSI {  560}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.500     3.500     2.500 peak   560 spectrum    1 weight  0.10000E+01 volume  0.17510E-02 ppm1      4.676 ppm2      8.369 CV     1
 ASSI {  562}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak   562 spectrum    1 weight  0.10000E+01 volume  0.35646E-02 ppm1      4.539 ppm2      1.615 CV     1
 OR {  562}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  566}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HD% )
      2.800     1.000     1.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.37919E-02 ppm1      4.531 ppm2      7.175 CV     1
 ASSI {  569}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.900     1.100     1.100 peak   569 spectrum    1 weight  0.10000E+01 volume  0.28820E-02 ppm1      4.574 ppm2      2.737 CV     1
 ASSI {  571}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.36972E-02 ppm1      4.526 ppm2      2.230 CV     1
 ASSI {  572}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG2 ))
      3.400     1.400     1.400 peak   572 spectrum    1 weight  0.10000E+01 volume  0.33752E-02 ppm1      4.528 ppm2      2.332 CV     1
 ASSI {  573}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
      3.300     1.400     1.400 peak   573 spectrum    1 weight  0.10000E+01 volume  0.31456E-02 ppm1      4.610 ppm2      2.396 CV     1
 ASSI {  574}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
      4.100     2.100     1.900 peak   574 spectrum    1 weight  0.10000E+01 volume  0.67567E-03 ppm1      4.467 ppm2      2.282 CV     1
 ASSI {  576}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak   576 spectrum    1 weight  0.10000E+01 volume  0.93962E-03 ppm1      4.461 ppm2      8.306 CV     1
 ASSI {  577}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.100     1.200     1.200 peak   577 spectrum    1 weight  0.10000E+01 volume  0.18761E-02 ppm1      4.581 ppm2      8.083 CV     1
 ASSI {  578}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      3.300     3.300     2.700 peak   578 spectrum    1 weight  0.10000E+01 volume  0.27159E-03 ppm1      4.560 ppm2      8.018 CV     1
 ASSI {  586}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      2.100     2.100     3.900 peak   586 spectrum    1 weight  0.10000E+01 volume  0.51906E-02 ppm1      4.586 ppm2      1.334 CV     1
 OR {  586}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI {  587}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
      3.800     3.800     2.200 peak   587 spectrum    1 weight  0.10000E+01 volume  0.10432E-02 ppm1      4.568 ppm2      5.536 CV     1
 ASSI {  588}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak   588 spectrum    1 weight  0.10000E+01 volume  0.39719E-03 ppm1      4.528 ppm2      8.796 CV     1
 ASSI {  589}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak   589 spectrum    1 weight  0.10000E+01 volume  0.12244E-02 ppm1      4.536 ppm2      7.812 CV     1
 ASSI {  590}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HZ3 ))
      4.100     2.100     1.900 peak   590 spectrum    1 weight  0.10000E+01 volume  0.61346E-03 ppm1      4.539 ppm2      7.505 CV     1
 ASSI {  591}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HE% )
      5.100     3.300     0.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.53767E-03 ppm1      4.532 ppm2      6.725 CV     1
 ASSI {  595}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      5.600     3.900     0.400 peak   595 spectrum    1 weight  0.10000E+01 volume  0.22736E-03 ppm1      4.478 ppm2      8.385 CV     1
 ASSI {  598}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HA1 ))
      4.100     2.100     1.900 peak   598 spectrum    1 weight  0.10000E+01 volume  0.18097E-02 ppm1      4.436 ppm2      3.791 CV     1
 ASSI {  599}
   (( segid "    " and resid 32   and name HA1 ))
   (( segid "    " and resid 32   and name HA2 ))
      1.900     0.400     0.400 peak   599 spectrum    1 weight  0.10000E+01 volume  0.68263E-02 ppm1      4.289 ppm2      3.763 CV     1
 ASSI {  600}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 18   and name HA2 ))
      1.900     0.500     0.500 peak   600 spectrum    1 weight  0.10000E+01 volume  0.51181E-02 ppm1      4.216 ppm2      3.627 CV     1
 ASSI {  601}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HA2 ))
      5.000     3.200     1.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.41582E-03 ppm1      4.356 ppm2      3.818 CV     1
 ASSI {  603}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.500     0.800     0.800 peak   603 spectrum    1 weight  0.10000E+01 volume  0.49031E-02 ppm1      4.330 ppm2      2.713 CV     1
 ASSI {  606}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     2.700     3.300 peak   606 spectrum    1 weight  0.10000E+01 volume  0.79626E-03 ppm1      4.391 ppm2      8.576 CV     1
 ASSI {  607}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.200     1.300     1.300 peak   607 spectrum    1 weight  0.10000E+01 volume  0.30578E-02 ppm1      4.393 ppm2      2.133 CV     1
 ASSI {  609}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB  ))
      3.200     1.300     1.300 peak   609 spectrum    1 weight  0.10000E+01 volume  0.13371E-02 ppm1      4.277 ppm2      2.048 CV     1
 ASSI {  611}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      1.900     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.39971E-02 ppm1      4.332 ppm2      1.817 CV     1
 ASSI {  612}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.600     0.900     0.900 peak   612 spectrum    1 weight  0.10000E+01 volume  0.31368E-02 ppm1      4.360 ppm2      1.771 CV     1
 ASSI {  625}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      5.400     3.600     0.600 peak   625 spectrum    1 weight  0.10000E+01 volume  0.32394E-03 ppm1      4.254 ppm2      1.345 CV     1
 OR {  625}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI {  626}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      4.100     2.100     1.900 peak   626 spectrum    1 weight  0.10000E+01 volume  0.70312E-03 ppm1      4.356 ppm2      9.191 CV     1
 ASSI {  627}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.000     1.100     1.100 peak   627 spectrum    1 weight  0.10000E+01 volume  0.11767E-02 ppm1      4.354 ppm2      8.977 CV     1
 ASSI {  628}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.600     1.600     1.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.83667E-03 ppm1      4.126 ppm2      7.802 CV     1
 ASSI {  630}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.900     0.900 peak   630 spectrum    1 weight  0.10000E+01 volume  0.30231E-02 ppm1      4.221 ppm2      7.812 CV     1
 ASSI {  632}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.12686E-02 ppm1      4.357 ppm2      7.228 CV     1
 ASSI {  634}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB  ))
      4.300     2.300     1.700 peak   634 spectrum    1 weight  0.10000E+01 volume  0.73377E-03 ppm1      4.357 ppm2      1.139 CV     1
 ASSI {  636}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.400     1.400     1.400 peak   636 spectrum    1 weight  0.10000E+01 volume  0.76973E-03 ppm1      4.359 ppm2      0.498 CV     1
 ASSI {  639}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.500     1.600     1.600 peak   639 spectrum    1 weight  0.10000E+01 volume  0.93552E-03 ppm1      4.326 ppm2      8.265 CV     1
 ASSI {  640}
   (( segid "    " and resid 32   and name HA1 ))
   (( segid "    " and resid 32   and name HN  ))
      3.300     1.400     1.400 peak   640 spectrum    1 weight  0.10000E+01 volume  0.12117E-02 ppm1      4.292 ppm2      8.079 CV     1
 ASSI {  642}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      3.500     1.500     1.500 peak   642 spectrum    1 weight  0.10000E+01 volume  0.42244E-02 ppm1      4.231 ppm2      8.017 CV     1
 ASSI {  643}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.900     1.000     1.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.37256E-02 ppm1      4.181 ppm2      7.992 CV     1
 ASSI {  644}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.400     1.400 peak   644 spectrum    1 weight  0.10000E+01 volume  0.85973E-03 ppm1      4.220 ppm2      7.954 CV     1
 ASSI {  646}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HD% )
      2.300     0.700     0.700 peak   646 spectrum    1 weight  0.10000E+01 volume  0.36214E-02 ppm1      4.217 ppm2      6.963 CV     1
 ASSI {  649}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.800     1.800     1.800 peak   649 spectrum    1 weight  0.10000E+01 volume  0.63052E-03 ppm1      4.346 ppm2      2.839 CV     1
 ASSI {  650}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HE% )
      4.400     2.500     1.600 peak   650 spectrum    1 weight  0.10000E+01 volume  0.10103E-02 ppm1      4.216 ppm2      6.594 CV     1
 ASSI {  651}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.800     0.800 peak   651 spectrum    1 weight  0.10000E+01 volume  0.39087E-02 ppm1      4.276 ppm2      8.597 CV     1
 ASSI {  652}
   (( segid "    " and resid 32   and name HA1 ))
   (( segid "    " and resid 33   and name HN  ))
      4.100     2.100     1.900 peak   652 spectrum    1 weight  0.10000E+01 volume  0.78142E-03 ppm1      4.290 ppm2      7.687 CV     1
 ASSI {  653}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.300     0.600     0.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.51935E-02 ppm1      4.217 ppm2      2.924 CV     1
 ASSI {  659}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 24   and name HN  ))
      4.400     2.400     1.600 peak   659 spectrum    1 weight  0.10000E+01 volume  0.40603E-03 ppm1      4.233 ppm2      8.972 CV     1
 ASSI {  664}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.300     1.400     1.400 peak   664 spectrum    1 weight  0.10000E+01 volume  0.12172E-02 ppm1      4.126 ppm2      8.066 CV     1
 ASSI {  666}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.500     0.800     0.800 peak   666 spectrum    1 weight  0.10000E+01 volume  0.37288E-02 ppm1      4.220 ppm2      7.603 CV     1
 ASSI {  667}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.000     1.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.14337E-02 ppm1      4.216 ppm2      7.469 CV     1
 ASSI {  668}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
      3.700     1.700     1.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.91497E-03 ppm1      4.224 ppm2      2.200 CV     1
 ASSI {  669}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.700     0.900     0.900 peak   669 spectrum    1 weight  0.10000E+01 volume  0.18325E-02 ppm1      4.219 ppm2      1.958 CV     1
 ASSI {  671}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 4    and name HB  ))
      1.900     0.400     0.400 peak   671 spectrum    1 weight  0.10000E+01 volume  0.79153E-02 ppm1      4.192 ppm2      1.832 CV     1
 ASSI {  672}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak   672 spectrum    1 weight  0.10000E+01 volume  0.22575E-02 ppm1      4.125 ppm2      7.521 CV     1
 ASSI {  673}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.000     1.100     1.100 peak   673 spectrum    1 weight  0.10000E+01 volume  0.15360E-02 ppm1      4.176 ppm2      7.310 CV     1
 ASSI {  674}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
      2.800     1.000     1.000 peak   674 spectrum    1 weight  0.10000E+01 volume  0.34130E-02 ppm1      4.128 ppm2      1.716 CV     1
 ASSI {  675}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.700     0.900     0.900 peak   675 spectrum    1 weight  0.10000E+01 volume  0.28302E-02 ppm1      4.180 ppm2      1.648 CV     1
 ASSI {  677}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.59577E-02 ppm1      4.128 ppm2      8.964 CV     1
 ASSI {  679}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      4.500     2.600     1.500 peak   679 spectrum    1 weight  0.10000E+01 volume  0.61786E-03 ppm1      4.116 ppm2      8.290 CV     1
 ASSI {  682}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak   682 spectrum    1 weight  0.10000E+01 volume  0.12105E-02 ppm1      3.965 ppm2      7.227 CV     1
 ASSI {  683}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.900     1.000     1.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.20747E-02 ppm1      4.130 ppm2      6.890 CV     1
 ASSI {  684}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HA  ))
      3.200     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.97844E-03 ppm1      4.118 ppm2      4.001 CV     1
 ASSI {  685}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB  ))
      2.500     0.800     0.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.55348E-02 ppm1      4.124 ppm2      2.076 CV     1
 ASSI {  691}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      3.200     1.200     1.200 peak   691 spectrum    1 weight  0.10000E+01 volume  0.23190E-02 ppm1      4.069 ppm2      8.479 CV     1
 ASSI {  694}
   (( segid "    " and resid 33   and name HA2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.100     1.100 peak   694 spectrum    1 weight  0.10000E+01 volume  0.40792E-02 ppm1      3.994 ppm2      7.685 CV     1
 ASSI {  696}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.900     1.000     1.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.12607E-02 ppm1      3.989 ppm2      8.596 CV     1
 ASSI {  698}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.28173E-02 ppm1      3.961 ppm2      8.715 CV     1
 ASSI {  700}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.800     1.800     1.800 peak   700 spectrum    1 weight  0.10000E+01 volume  0.74227E-03 ppm1      3.958 ppm2      8.129 CV     1
 ASSI {  703}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.500     1.500     1.500 peak   703 spectrum    1 weight  0.10000E+01 volume  0.13902E-02 ppm1      3.969 ppm2      7.890 CV     1
 ASSI {  705}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
      3.600     1.600     1.600 peak   705 spectrum    1 weight  0.10000E+01 volume  0.84774E-03 ppm1      3.983 ppm2      3.097 CV     1
 ASSI {  706}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.600     0.900     0.900 peak   706 spectrum    1 weight  0.10000E+01 volume  0.59485E-02 ppm1      3.954 ppm2      2.020 CV     1
 ASSI {  708}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.500     0.800     0.800 peak   708 spectrum    1 weight  0.10000E+01 volume  0.64000E-02 ppm1      3.969 ppm2      1.811 CV     1
 ASSI {  709}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   709 spectrum    1 weight  0.10000E+01 volume  0.35393E-02 ppm1      3.960 ppm2      8.912 CV     1
 ASSI {  711}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
      3.400     3.400     2.600 peak   711 spectrum    1 weight  0.10000E+01 volume  0.29350E-02 ppm1      3.963 ppm2      2.377 CV     1
 ASSI {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.000     3.000     3.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.35046E-02 ppm1      3.966 ppm2      2.145 CV     1
 ASSI {  714}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      3.000     1.200     1.200 peak   714 spectrum    1 weight  0.10000E+01 volume  0.18072E-02 ppm1      3.877 ppm2      1.633 CV     1
 ASSI {  715}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.800     2.800     3.200 peak   715 spectrum    1 weight  0.10000E+01 volume  0.38898E-02 ppm1      3.966 ppm2      1.604 CV     1
 OR {  715}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  717}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB  ))
      3.300     1.400     1.400 peak   717 spectrum    1 weight  0.10000E+01 volume  0.66209E-03 ppm1      3.961 ppm2      1.144 CV     1
 ASSI {  722}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.200     1.300     1.300 peak   722 spectrum    1 weight  0.10000E+01 volume  0.10757E-02 ppm1      3.864 ppm2      8.474 CV     1
 ASSI {  723}
   (( segid "    " and resid 54   and name HA1 ))
   (( segid "    " and resid 55   and name HN  ))
      3.400     1.400     1.400 peak   723 spectrum    1 weight  0.10000E+01 volume  0.13520E-02 ppm1      3.802 ppm2      7.310 CV     1
 ASSI {  726}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
      3.800     1.800     1.800 peak   726 spectrum    1 weight  0.10000E+01 volume  0.10517E-02 ppm1      3.864 ppm2      2.419 CV     1
 ASSI {  728}
   (( segid "    " and resid 33   and name HA1 ))
   (( segid "    " and resid 38   and name HB  ))
      4.400     2.400     1.600 peak   728 spectrum    1 weight  0.10000E+01 volume  0.71008E-03 ppm1      3.765 ppm2      2.091 CV     1
 ASSI {  729}
   (( segid "    " and resid 40   and name HA2 ))
   (( segid "    " and resid 43   and name HB  ))
      3.200     1.200     1.200 peak   729 spectrum    1 weight  0.10000E+01 volume  0.50171E-03 ppm1      3.816 ppm2      2.053 CV     1
 ASSI {  734}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak   734 spectrum    1 weight  0.10000E+01 volume  0.29237E-02 ppm1      3.841 ppm2      9.052 CV     1
 ASSI {  735}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.000     1.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.77640E-03 ppm1      3.839 ppm2      8.588 CV     1
 ASSI {  736}
   (( segid "    " and resid 32   and name HA2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.300     1.300     1.300 peak   736 spectrum    1 weight  0.10000E+01 volume  0.13213E-02 ppm1      3.765 ppm2      8.083 CV     1
 ASSI {  759}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      4.100     2.100     1.900 peak   759 spectrum    1 weight  0.10000E+01 volume  0.81333E-03 ppm1      3.579 ppm2      2.616 CV     1
 ASSI {  760}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB  ))
      2.600     0.900     0.900 peak   760 spectrum    1 weight  0.10000E+01 volume  0.13017E-02 ppm1      3.574 ppm2      1.941 CV     1
 ASSI {  762}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      4.300     2.300     1.700 peak   762 spectrum    1 weight  0.10000E+01 volume  0.57368E-03 ppm1      3.501 ppm2      8.712 CV     1
 ASSI {  763}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HZ3 ))
      4.300     2.300     1.700 peak   763 spectrum    1 weight  0.10000E+01 volume  0.16396E-02 ppm1      3.498 ppm2      7.504 CV     1
 ASSI {  767}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      2.900     1.100     1.100 peak   767 spectrum    1 weight  0.10000E+01 volume  0.98380E-03 ppm1      3.440 ppm2      8.068 CV     1
 ASSI {  775}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
      3.900     1.900     1.900 peak   775 spectrum    1 weight  0.10000E+01 volume  0.84175E-03 ppm1      3.112 ppm2      1.913 CV     1
 ASSI {  776}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HG2 ))
      2.400     0.700     0.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.36119E-02 ppm1      3.108 ppm2      1.333 CV     1
 OR {  776}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI {  781}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 25   and name HE% )
      2.900     1.000     1.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.14606E-02 ppm1      2.931 ppm2      6.685 CV     1
 ASSI {  782}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 51   and name HE% )
      3.700     1.700     1.700 peak   782 spectrum    1 weight  0.10000E+01 volume  0.29565E-02 ppm1      2.926 ppm2      6.596 CV     1
 ASSI {  783}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 7    and name HE% )
      4.600     2.700     1.400 peak   783 spectrum    1 weight  0.10000E+01 volume  0.90458E-03 ppm1      2.865 ppm2      6.724 CV     1
 ASSI {  794}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.900     1.900     1.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.10005E-02 ppm1      3.088 ppm2      8.714 CV     1
 ASSI {  805}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 51   and name HD% )
      2.200     0.600     0.600 peak   805 spectrum    1 weight  0.10000E+01 volume  0.97621E-02 ppm1      2.925 ppm2      6.963 CV     1
 ASSI {  808}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 49   and name HB2 ))
      2.000     2.000     4.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.56421E-02 ppm1      2.934 ppm2      1.817 CV     1
 ASSI {  819}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.400     1.400     1.400 peak   819 spectrum    1 weight  0.10000E+01 volume  0.25322E-02 ppm1      2.908 ppm2      7.926 CV     1
 ASSI {  820}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.600     1.600     1.600 peak   820 spectrum    1 weight  0.10000E+01 volume  0.43097E-03 ppm1      2.853 ppm2      7.962 CV     1
 ASSI {  823}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 50   and name HB2 ))
      2.600     2.600     3.400 peak   823 spectrum    1 weight  0.10000E+01 volume  0.12882E-01 ppm1      2.907 ppm2      2.639 CV     1
 ASSI {  831}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      3.200     1.200     1.200 peak   831 spectrum    1 weight  0.10000E+01 volume  0.18704E-02 ppm1      2.851 ppm2      7.603 CV     1
 ASSI {  833}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 57   and name HD% )
      3.600     1.600     1.600 peak   833 spectrum    1 weight  0.10000E+01 volume  0.90806E-03 ppm1      2.852 ppm2      7.065 CV     1
 ASSI {  843}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.500     0.800     0.800 peak   843 spectrum    1 weight  0.10000E+01 volume  0.30566E-02 ppm1      2.152 ppm2      1.613 CV     1
 OR {  843}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  847}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HB2 ))
      2.700     0.900     0.900 peak   847 spectrum    1 weight  0.10000E+01 volume  0.38930E-02 ppm1      2.199 ppm2      1.726 CV     1
 ASSI {  849}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.55822E-02 ppm1      2.413 ppm2      1.940 CV     1
 ASSI {  850}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.200     3.200     2.800 peak   850 spectrum    1 weight  0.10000E+01 volume  0.67219E-02 ppm1      1.957 ppm2      1.802 CV     1
 ASSI {  852}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.600     0.900     0.900 peak   852 spectrum    1 weight  0.10000E+01 volume  0.41329E-02 ppm1      1.932 ppm2      1.776 CV     1
 ASSI {  853}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.700     1.700     1.700 peak   853 spectrum    1 weight  0.10000E+01 volume  0.86606E-03 ppm1      2.748 ppm2      3.573 CV     1
 ASSI {  854}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak   854 spectrum    1 weight  0.10000E+01 volume  0.42308E-02 ppm1      2.768 ppm2      8.494 CV     1
 ASSI {  861}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      3.800     1.800     1.800 peak   861 spectrum    1 weight  0.10000E+01 volume  0.21826E-02 ppm1      2.747 ppm2      7.891 CV     1
 ASSI {  862}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      4.600     2.700     1.400 peak   862 spectrum    1 weight  0.10000E+01 volume  0.75586E-03 ppm1      2.742 ppm2      7.474 CV     1
 ASSI {  869}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 25   and name HE% )
      3.200     1.300     1.300 peak   869 spectrum    1 weight  0.10000E+01 volume  0.89951E-03 ppm1      2.702 ppm2      6.685 CV     1
 ASSI {  872}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 49   and name HB2 ))
      4.400     2.500     1.600 peak   872 spectrum    1 weight  0.10000E+01 volume  0.98066E-03 ppm1      2.711 ppm2      1.822 CV     1
 ASSI {  891}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.800     0.800 peak   891 spectrum    1 weight  0.10000E+01 volume  0.37288E-02 ppm1      2.648 ppm2      8.500 CV     1
 ASSI {  899}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.300     1.400     1.400 peak   899 spectrum    1 weight  0.10000E+01 volume  0.85470E-03 ppm1      2.621 ppm2      7.471 CV     1
 ASSI {  900}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 7    and name HE% )
      4.100     2.100     1.900 peak   900 spectrum    1 weight  0.10000E+01 volume  0.69302E-03 ppm1      2.612 ppm2      6.730 CV     1
 ASSI {  902}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      3.800     1.800     1.800 peak   902 spectrum    1 weight  0.10000E+01 volume  0.84774E-03 ppm1      2.613 ppm2      4.332 CV     1
 ASSI {  903}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.300     2.300     3.700 peak   903 spectrum    1 weight  0.10000E+01 volume  0.38992E-01 ppm1      2.607 ppm2      2.730 CV     1
 ASSI {  915}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.800     0.800 peak   915 spectrum    1 weight  0.10000E+01 volume  0.21640E-02 ppm1      2.343 ppm2      8.131 CV     1
 ASSI {  916}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak   916 spectrum    1 weight  0.10000E+01 volume  0.23058E-02 ppm1      2.233 ppm2      8.129 CV     1
 ASSI {  917}
   (( segid "    " and resid 15   and name HG2 ))
   (  segid "    " and resid 51   and name HD% )
      3.700     1.700     1.700 peak   917 spectrum    1 weight  0.10000E+01 volume  0.48750E-03 ppm1      2.420 ppm2      6.963 CV     1
 ASSI {  920}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      3.400     1.400     1.400 peak   920 spectrum    1 weight  0.10000E+01 volume  0.20242E-02 ppm1      2.111 ppm2      8.476 CV     1
 ASSI {  921}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak   921 spectrum    1 weight  0.10000E+01 volume  0.43255E-02 ppm1      2.022 ppm2      8.658 CV     1
 ASSI {  923}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.100     1.100 peak   923 spectrum    1 weight  0.10000E+01 volume  0.16949E-02 ppm1      2.227 ppm2      8.585 CV     1
 ASSI {  924}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak   924 spectrum    1 weight  0.10000E+01 volume  0.22051E-02 ppm1      2.401 ppm2      8.730 CV     1
 ASSI {  925}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.300     1.300 peak   925 spectrum    1 weight  0.10000E+01 volume  0.74136E-03 ppm1      2.345 ppm2      8.582 CV     1
 ASSI {  927}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.700     3.700     2.300 peak   927 spectrum    1 weight  0.10000E+01 volume  0.22449E-02 ppm1      1.788 ppm2      8.686 CV     1
 ASSI {  929}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.200     1.300     1.300 peak   929 spectrum    1 weight  0.10000E+01 volume  0.41961E-02 ppm1      1.937 ppm2      8.700 CV     1
 ASSI {  948}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      4.300     2.300     1.700 peak   948 spectrum    1 weight  0.10000E+01 volume  0.70472E-03 ppm1      1.957 ppm2      7.605 CV     1
 ASSI {  950}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 29   and name HZ3 ))
      4.000     2.000     2.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.88530E-03 ppm1      2.349 ppm2      7.513 CV     1
 ASSI {  955}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 29   and name HE1 ))
      3.800     1.800     1.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.10612E-02 ppm1      2.254 ppm2     10.122 CV     1
 ASSI {  960}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak   960 spectrum    1 weight  0.10000E+01 volume  0.18622E-02 ppm1      2.154 ppm2      9.052 CV     1
 ASSI {  963}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.500     1.500 peak   963 spectrum    1 weight  0.10000E+01 volume  0.10653E-02 ppm1      1.958 ppm2      7.993 CV     1
 ASSI {  987}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.900     1.000     1.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.22066E-02 ppm1      2.011 ppm2      8.308 CV     1
 ASSI {  989}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      3.300     1.400     1.400 peak   989 spectrum    1 weight  0.10000E+01 volume  0.15512E-02 ppm1      2.100 ppm2      9.793 CV     1
 ASSI {  996}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 25   and name HE% )
      3.200     3.200     2.800 peak   996 spectrum    1 weight  0.10000E+01 volume  0.46002E-02 ppm1      1.826 ppm2      6.686 CV     1
 ASSI { 1005}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HB2 ))
      4.000     2.000     2.000 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.11777E-02 ppm1      2.041 ppm2      2.815 CV     1
 ASSI { 1014}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HG2 ))
      2.700     0.900     0.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.78867E-02 ppm1      1.989 ppm2      2.202 CV     1
 ASSI { 1015}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.600     0.900     0.900 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.37919E-02 ppm1      2.024 ppm2      2.266 CV     1
 ASSI { 1021}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HZ2 ))
      3.700     3.700     2.300 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.11713E-02 ppm1      1.977 ppm2      7.280 CV     1
 ASSI { 1026}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      2.700     0.900     0.900 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.25931E-02 ppm1      1.932 ppm2      3.861 CV     1
 ASSI { 1029}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.800     1.000     1.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.46823E-02 ppm1      1.875 ppm2      2.144 CV     1
 ASSI { 1033}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      1.900     0.400     0.400 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.29549E-02 ppm1      1.820 ppm2      7.893 CV     1
 ASSI { 1034}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.500     1.500 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.10195E-02 ppm1      1.732 ppm2      7.813 CV     1
 ASSI { 1036}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.27374E-02 ppm1      1.847 ppm2      8.018 CV     1
 ASSI { 1037}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 56   and name HN  ))
      3.800     1.800     1.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.12759E-02 ppm1      1.813 ppm2      7.994 CV     1
 ASSI { 1038}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.98762E-03 ppm1      1.854 ppm2      4.072 CV     1
 ASSI { 1039}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      1.900     0.400     0.400 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.62168E-02 ppm1      1.821 ppm2      8.266 CV     1
 ASSI { 1040}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 55   and name HA  ))
      3.300     3.300     2.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.27156E-02 ppm1      1.833 ppm2      4.183 CV     1
 ASSI { 1045}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.300     2.300     3.700 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.80511E-02 ppm1      1.795 ppm2      1.958 CV     1
 ASSI { 1046}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.19534E-02 ppm1      1.627 ppm2      8.907 CV     1
 ASSI { 1050}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 37   and name HB2 ))
      4.400     2.400     1.600 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.52506E-03 ppm1      1.735 ppm2      2.814 CV     1
 ASSI { 1055}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.700     0.900     0.900 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.75996E-02 ppm1      1.788 ppm2      1.598 CV     1
 OR { 1055}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 1061}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.21324E-02 ppm1      1.600 ppm2      8.128 CV     1
 OR { 1061}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 1062}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.700     3.700     2.300 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.19089E-02 ppm1      1.617 ppm2      7.813 CV     1
 ASSI { 1092}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.900     1.900     1.900 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.98569E-03 ppm1      1.341 ppm2      1.788 CV     1
 ASSI { 1105}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     1.300     1.300 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.16658E-02 ppm1      1.329 ppm2      7.222 CV     1
 OR { 1105}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1124}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     3.000     3.000 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.49190E-03 ppm1      1.212 ppm2      5.645 CV     1
 ASSI { 1132}
   (( segid "    " and resid 13   and name HB  ))
   (  segid "    " and resid 51   and name HD% )
      3.100     1.200     1.200 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.33088E-02 ppm1      1.133 ppm2      6.969 CV     1
 ASSI { 1144}
   (( segid "    " and resid 13   and name HB  ))
   (  segid "    " and resid 7    and name HD% )
      3.200     1.300     1.300 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.25700E-02 ppm1      1.123 ppm2      7.187 CV     1
 ASSI { 1237}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HB  ))
      3.600     1.700     1.700 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.21331E-02 ppm1      0.500 ppm2      1.213 CV     1
 ASSI { 1239}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.500     1.500 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.39845E-03 ppm1      0.496 ppm2      8.493 CV     1
 ASSI { 1241}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.700     1.700     1.700 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.84614E-03 ppm1      0.497 ppm2      8.132 CV     1
 ASSI { 1242}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 7    and name HE% )
      3.300     3.300     2.700 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.17706E-02 ppm1      0.500 ppm2      6.737 CV     1
 ASSI { 1245}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 15   and name HG2 ))
      3.800     1.800     1.800 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.36246E-03 ppm1      0.494 ppm2      2.392 CV     1
 ASSI { 1325}
   (( segid "    " and resid 54   and name HA2 ))
   (( segid "    " and resid 54   and name HA1 ))
      1.900     0.400     0.400 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.68954E-02 ppm1      3.983 ppm2      3.789 CV     1
 ASSI { 1326}
   (( segid "    " and resid 40   and name HA2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.000     1.100     1.100 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.23174E-02 ppm1      3.839 ppm2      7.506 CV     1
 ASSI { 1327}
   (( segid "    " and resid 54   and name HA1 ))
   (( segid "    " and resid 54   and name HN  ))
      2.600     0.900     0.900 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.25669E-02 ppm1      3.799 ppm2      7.643 CV     1
 ASSI { 1332}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.700     0.900     0.900 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.10722E-02 ppm1      8.694 ppm2      8.477 CV     1
 ASSI { 1333}
   (( segid "    " and resid 40   and name HA2 ))
   (  segid "    " and resid 25   and name HD% )
      2.800     1.000     1.000 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.25735E-02 ppm1      3.817 ppm2      6.802 CV     1
 ASSI { 1334}
   (( segid "    " and resid 40   and name HA2 ))
   (  segid "    " and resid 25   and name HE% )
      3.400     1.400     1.400 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.26844E-02 ppm1      3.818 ppm2      6.688 CV     1
 ASSI { 1341}
   (( segid "    " and resid 18   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.000     1.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.51462E-02 ppm1      3.642 ppm2      7.811 CV     1
 ASSI { 1345}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 28   and name HG1 ))
      2.500     0.800     0.800 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.28775E-02 ppm1      2.153 ppm2      1.336 CV     1
 OR { 1345}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 1349}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 28   and name HG1 ))
      3.600     1.700     1.700 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.36593E-02 ppm1      1.789 ppm2      1.335 CV     1
 OR { 1349}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 1352}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG1 ))
      1.700     0.400     0.500 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.21394E-01 ppm1      1.634 ppm2      1.331 CV     1
 OR { 1352}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR { 1352}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HG1 ))
 OR { 1352}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HG2 ))
  ASSI {    1}
   (( segid "    " and resid 29   and name HE1 ))
   (( segid "    " and resid 29   and name HZ2 ))
      3.100     1.200     1.200 peak     1 spectrum    1 weight  0.10000E+01 volume  0.17450E-02 ppm1     10.125 ppm2      6.970 CV     1
 ASSI {    3}
   (( segid "    " and resid 29   and name HE1 ))
   (( segid "    " and resid 29   and name HD1 ))
      2.600     0.800     0.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.45233E-02 ppm1     10.125 ppm2      7.063 CV     1
 ASSI {    4}
   (( segid "    " and resid 29   and name HE1 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.800     1.800     1.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.11866E-02 ppm1     10.124 ppm2      2.013 CV     1
 ASSI {    6}
   (( segid "    " and resid 37   and name HE1 ))
   (( segid "    " and resid 37   and name HZ2 ))
      2.400     0.700     0.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.27557E-02 ppm1     10.069 ppm2      7.287 CV     1
 ASSI {    9}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.700     2.700     1.300 peak     9 spectrum    1 weight  0.10000E+01 volume  0.91059E-03 ppm1      9.795 ppm2      9.193 CV     1
 ASSI {   11}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.800     1.800     1.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.73500E-03 ppm1      9.798 ppm2      2.816 CV     1
 ASSI {   27}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      4.300     2.400     1.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.54970E-03 ppm1      9.194 ppm2      2.200 CV     1
 ASSI {   37}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 29   and name HZ3 ))
      4.400     2.400     1.600 peak    37 spectrum    1 weight  0.10000E+01 volume  0.69916E-03 ppm1      9.053 ppm2      7.505 CV     1
 ASSI {   38}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.200     0.600     0.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.19352E-02 ppm1      9.053 ppm2      7.226 CV     1
 ASSI {   47}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 28   and name HG1 ))
      5.000     3.100     1.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.44955E-03 ppm1      9.054 ppm2      1.337 CV     1
 OR {   47}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {   49}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.900     1.900     1.900 peak    49 spectrum    1 weight  0.10000E+01 volume  0.12189E-02 ppm1      9.053 ppm2      0.498 CV     1
 ASSI {   51}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.400     1.400 peak    51 spectrum    1 weight  0.10000E+01 volume  0.62755E-03 ppm1      8.970 ppm2      6.896 CV     1
 ASSI {   58}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.21191E-02 ppm1      8.913 ppm2      7.223 CV     1
 ASSI {   60}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak    60 spectrum    1 weight  0.10000E+01 volume  0.88034E-03 ppm1      8.913 ppm2      3.879 CV     1
 ASSI {   67}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.62929E-03 ppm1      8.732 ppm2      5.643 CV     1
 ASSI {   71}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.300     3.300     2.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.23329E-02 ppm1      8.685 ppm2      2.247 CV     1
 ASSI {   80}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.700     1.800     1.800 peak    80 spectrum    1 weight  0.10000E+01 volume  0.14189E-02 ppm1      8.568 ppm2      2.134 CV     1
 ASSI {   81}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.200     1.300     1.300 peak    81 spectrum    1 weight  0.10000E+01 volume  0.91476E-03 ppm1      8.743 ppm2      2.023 CV     1
 ASSI {   83}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 27   and name HB  ))
      4.100     2.100     1.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.72838E-03 ppm1      8.727 ppm2      1.224 CV     1
 ASSI {   86}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.500     1.600     1.600 peak    86 spectrum    1 weight  0.10000E+01 volume  0.10312E-02 ppm1      8.698 ppm2      7.646 CV     1
 ASSI {   92}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.600     0.800     0.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.50448E-02 ppm1      8.711 ppm2      2.600 CV     1
 ASSI {   95}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA2 ))
      2.100     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.23166E-02 ppm1      8.676 ppm2      3.825 CV     1
 ASSI {  102}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.300     1.400     1.400 peak   102 spectrum    1 weight  0.10000E+01 volume  0.16661E-02 ppm1      8.691 ppm2      2.816 CV     1
 ASSI {  103}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.300     1.300     1.300 peak   103 spectrum    1 weight  0.10000E+01 volume  0.43043E-02 ppm1      8.480 ppm2      2.910 CV     1
 ASSI {  109}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.400     1.500     1.500 peak   109 spectrum    1 weight  0.10000E+01 volume  0.53855E-03 ppm1      8.600 ppm2      7.792 CV     1
 ASSI {  114}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.13372E-02 ppm1      8.494 ppm2      4.357 CV     1
 ASSI {  115}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.700     2.700     1.300 peak   115 spectrum    1 weight  0.10000E+01 volume  0.79376E-03 ppm1      8.501 ppm2      7.688 CV     1
 ASSI {  117}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.13730E-02 ppm1      8.479 ppm2      7.470 CV     1
 ASSI {  118}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 29   and name HD1 ))
      4.300     2.400     1.700 peak   118 spectrum    1 weight  0.10000E+01 volume  0.49057E-03 ppm1      8.494 ppm2      7.062 CV     1
 ASSI {  124}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.900     3.000     1.100 peak   124 spectrum    1 weight  0.10000E+01 volume  0.50170E-03 ppm1      8.493 ppm2      2.592 CV     1
 ASSI {  125}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      3.800     1.800     1.800 peak   125 spectrum    1 weight  0.10000E+01 volume  0.12019E-02 ppm1      8.479 ppm2      2.423 CV     1
 ASSI {  126}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      2.600     0.800     0.800 peak   126 spectrum    1 weight  0.10000E+01 volume  0.24383E-02 ppm1      8.495 ppm2      1.143 CV     1
 ASSI {  135}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      4.000     2.000     2.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.11230E-02 ppm1      8.135 ppm2      1.333 CV     1
 OR {  135}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI {  139}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB  ))
      4.400     2.400     1.600 peak   139 spectrum    1 weight  0.10000E+01 volume  0.51109E-03 ppm1      8.133 ppm2      1.204 CV     1
 ASSI {  141}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak   141 spectrum    1 weight  0.10000E+01 volume  0.14905E-02 ppm1      8.317 ppm2      7.225 CV     1
 ASSI {  147}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.500     1.600     1.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.98881E-03 ppm1      8.302 ppm2      2.770 CV     1
 ASSI {  154}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.100     2.100     1.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.13323E-02 ppm1      8.303 ppm2      2.598 CV     1
 ASSI {  161}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.14352E-02 ppm1      8.271 ppm2      7.893 CV     1
 ASSI {  162}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.500     0.800     0.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.14742E-02 ppm1      8.269 ppm2      7.777 CV     1
 ASSI {  166}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HD2 ))
      3.400     1.400     1.400 peak   166 spectrum    1 weight  0.10000E+01 volume  0.65189E-03 ppm1      8.074 ppm2      6.986 CV     1
 ASSI {  186}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      4.200     2.200     1.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.31555E-03 ppm1      8.022 ppm2      4.063 CV     1
 ASSI {  190}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.300     1.400     1.400 peak   190 spectrum    1 weight  0.10000E+01 volume  0.77983E-03 ppm1      7.999 ppm2      7.602 CV     1
 ASSI {  193}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.700     1.700     1.700 peak   193 spectrum    1 weight  0.10000E+01 volume  0.66024E-03 ppm1      7.999 ppm2      1.647 CV     1
 ASSI {  196}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HD% )
      4.000     2.000     2.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.91682E-03 ppm1      7.956 ppm2      7.177 CV     1
 ASSI {  198}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      5.800     4.200     0.200 peak   198 spectrum    1 weight  0.10000E+01 volume  0.31930E-03 ppm1      7.966 ppm2      2.846 CV     1
 ASSI {  204}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.100     0.600     0.600 peak   204 spectrum    1 weight  0.10000E+01 volume  0.36437E-02 ppm1      7.914 ppm2      2.631 CV     1
 ASSI {  206}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.900     0.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.98984E-03 ppm1      7.894 ppm2      7.469 CV     1
 ASSI {  210}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 42   and name HD2 ))
      4.900     3.000     1.100 peak   210 spectrum    1 weight  0.10000E+01 volume  0.68426E-03 ppm1      7.872 ppm2      6.986 CV     1
 ASSI {  211}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.800     0.800 peak   211 spectrum    1 weight  0.10000E+01 volume  0.17015E-02 ppm1      7.793 ppm2      8.068 CV     1
 ASSI {  213}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.600     1.600     1.600 peak   213 spectrum    1 weight  0.10000E+01 volume  0.48258E-03 ppm1      7.799 ppm2      4.262 CV     1
 ASSI {  218}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      2.200     0.600     0.600 peak   218 spectrum    1 weight  0.10000E+01 volume  0.27734E-02 ppm1      7.792 ppm2      2.051 CV     1
 ASSI {  221}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     0.900     0.900 peak   221 spectrum    1 weight  0.10000E+01 volume  0.14713E-02 ppm1      7.782 ppm2      7.173 CV     1
 ASSI {  222}
   (( segid "    " and resid 29   and name HZ3 ))
   (( segid "    " and resid 29   and name HD1 ))
      5.200     3.300     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.49892E-03 ppm1      7.509 ppm2      7.071 CV     1
 ASSI {  223}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HD% )
      3.600     1.600     1.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.67173E-03 ppm1      7.597 ppm2      7.070 CV     1
 ASSI {  238}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      4.900     2.900     1.100 peak   238 spectrum    1 weight  0.10000E+01 volume  0.30999E-03 ppm1      7.607 ppm2      1.964 CV     1
 ASSI {  240}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      2.700     2.700     3.300 peak   240 spectrum    1 weight  0.10000E+01 volume  0.82922E-02 ppm1      7.448 ppm2      6.803 CV     1
 ASSI {  243}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      3.500     1.500     1.500 peak   243 spectrum    1 weight  0.10000E+01 volume  0.12791E-02 ppm1      7.520 ppm2      1.948 CV     1
 ASSI {  244}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      4.300     2.300     1.700 peak   244 spectrum    1 weight  0.10000E+01 volume  0.11790E-02 ppm1      7.523 ppm2      1.748 CV     1
 ASSI {  248}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HE% )
      4.200     2.200     1.800 peak   248 spectrum    1 weight  0.10000E+01 volume  0.34698E-02 ppm1      7.506 ppm2      6.596 CV     1
 ASSI {  250}
   (( segid "    " and resid 29   and name HZ3 ))
   (( segid "    " and resid 29   and name HB2 ))
      4.300     2.300     1.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.15200E-02 ppm1      7.506 ppm2      3.495 CV     1
 ASSI {  252}
   (( segid "    " and resid 29   and name HZ3 ))
   (( segid "    " and resid 28   and name HD2 ))
      4.100     2.100     1.900 peak   252 spectrum    1 weight  0.10000E+01 volume  0.21316E-02 ppm1      7.504 ppm2      3.087 CV     1
 ASSI {  253}
   (( segid "    " and resid 29   and name HZ3 ))
   (( segid "    " and resid 9    and name HB2 ))
      3.200     1.300     1.300 peak   253 spectrum    1 weight  0.10000E+01 volume  0.12885E-02 ppm1      7.505 ppm2      2.229 CV     1
 ASSI {  255}
   (( segid "    " and resid 29   and name HZ3 ))
   (( segid "    " and resid 28   and name HG2 ))
      4.200     2.200     1.800 peak   255 spectrum    1 weight  0.10000E+01 volume  0.77847E-03 ppm1      7.493 ppm2      1.330 CV     1
 OR {  255}
   (( segid "    " and resid 29   and name HZ3 ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI {  261}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.400     0.700     0.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.37306E-02 ppm1      7.472 ppm2      2.924 CV     1
 ASSI {  262}
   (( segid "    " and resid 29   and name HZ3 ))
   (( segid "    " and resid 31   and name HB2 ))
      5.000     3.100     1.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.85459E-03 ppm1      7.475 ppm2      2.744 CV     1
 ASSI {  264}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.100     1.200     1.200 peak   264 spectrum    1 weight  0.10000E+01 volume  0.94322E-03 ppm1      7.319 ppm2      7.649 CV     1
 ASSI {  266}
   (( segid "    " and resid 37   and name HZ2 ))
   (( segid "    " and resid 37   and name HZ3 ))
      4.100     2.100     1.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.71689E-03 ppm1      7.280 ppm2      6.674 CV     1
 ASSI {  267}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.500     1.500     1.500 peak   267 spectrum    1 weight  0.10000E+01 volume  0.74405E-03 ppm1      7.314 ppm2      7.993 CV     1
 ASSI {  269}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA2 ))
      4.700     2.800     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.48883E-03 ppm1      7.307 ppm2      3.991 CV     1
 ASSI {  271}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.100     1.100 peak   271 spectrum    1 weight  0.10000E+01 volume  0.19727E-02 ppm1      7.179 ppm2      4.600 CV     1
 ASSI {  272}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 7    and name HA  ))
      3.200     1.200     1.200 peak   272 spectrum    1 weight  0.10000E+01 volume  0.22189E-02 ppm1      7.175 ppm2      4.512 CV     1
 ASSI {  278}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 28   and name HG1 ))
      4.400     2.400     1.600 peak   278 spectrum    1 weight  0.10000E+01 volume  0.78086E-03 ppm1      7.224 ppm2      1.336 CV     1
 OR {  278}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {  280}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.500     1.500     1.500 peak   280 spectrum    1 weight  0.10000E+01 volume  0.20853E-02 ppm1      7.222 ppm2      0.496 CV     1
 ASSI {  284}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 9    and name HB2 ))
      4.200     2.200     1.800 peak   284 spectrum    1 weight  0.10000E+01 volume  0.15774E-02 ppm1      7.180 ppm2      2.230 CV     1
 ASSI {  286}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
      2.200     0.600     0.600 peak   286 spectrum    1 weight  0.10000E+01 volume  0.28736E-02 ppm1      7.226 ppm2      2.387 CV     1
 ASSI {  297}
   (( segid "    " and resid 37   and name HD1 ))
   (( segid "    " and resid 37   and name HE1 ))
      1.800     1.800     4.200 peak   297 spectrum    1 weight  0.10000E+01 volume  0.63313E-02 ppm1      7.165 ppm2     10.066 CV     1
 ASSI {  298}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.300     0.700     0.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.23402E-02 ppm1      7.165 ppm2      8.723 CV     1
 ASSI {  302}
   (  segid "    " and resid 7    and name HD% )
   (  segid "    " and resid 7    and name HE% )
      1.900     0.400     0.400 peak   302 spectrum    1 weight  0.10000E+01 volume  0.15607E-01 ppm1      7.175 ppm2      6.726 CV     1
 ASSI {  303}
   (( segid "    " and resid 37   and name HD1 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.800     1.800     1.800 peak   303 spectrum    1 weight  0.10000E+01 volume  0.18277E-02 ppm1      7.184 ppm2      3.438 CV     1
 ASSI {  304}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.600     0.800     0.800 peak   304 spectrum    1 weight  0.10000E+01 volume  0.13629E-02 ppm1      7.174 ppm2      3.569 CV     1
 ASSI {  315}
   (  segid "    " and resid 51   and name HD% )
   (  segid "    " and resid 51   and name HE% )
      1.900     0.400     0.400 peak   315 spectrum    1 weight  0.10000E+01 volume  0.11724E-01 ppm1      6.965 ppm2      6.596 CV     1
 ASSI {  318}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 29   and name HB2 ))
      4.100     2.100     1.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.12235E-02 ppm1      7.064 ppm2      3.491 CV     1
 ASSI {  320}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 35   and name HB2 ))
      3.900     1.900     1.900 peak   320 spectrum    1 weight  0.10000E+01 volume  0.56152E-03 ppm1      7.064 ppm2      2.765 CV     1
 ASSI {  321}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 5    and name HB2 ))
      2.800     2.800     3.200 peak   321 spectrum    1 weight  0.10000E+01 volume  0.84347E-03 ppm1      7.065 ppm2      2.652 CV     1
 ASSI {  326}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 38   and name HA  ))
      5.400     3.600     0.600 peak   326 spectrum    1 weight  0.10000E+01 volume  0.61714E-03 ppm1      6.976 ppm2      4.684 CV     1
 ASSI {  327}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.600     1.600     1.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.61329E-03 ppm1      6.986 ppm2      3.440 CV     1
 ASSI {  330}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 52   and name HB2 ))
      3.200     1.300     1.300 peak   330 spectrum    1 weight  0.10000E+01 volume  0.15367E-02 ppm1      6.978 ppm2      1.943 CV     1
 ASSI {  331}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 38   and name HB  ))
      3.800     1.800     1.800 peak   331 spectrum    1 weight  0.10000E+01 volume  0.64007E-03 ppm1      6.977 ppm2      2.100 CV     1
 ASSI {  339}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 52   and name HN  ))
      3.700     1.700     1.700 peak   339 spectrum    1 weight  0.10000E+01 volume  0.14818E-02 ppm1      6.965 ppm2      8.477 CV     1
 ASSI {  340}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 51   and name HN  ))
      4.400     2.500     1.600 peak   340 spectrum    1 weight  0.10000E+01 volume  0.10705E-02 ppm1      6.962 ppm2      7.470 CV     1
 ASSI {  341}
   (  segid "    " and resid 51   and name HD% )
   (  segid "    " and resid 25   and name HE% )
      3.100     1.200     1.200 peak   341 spectrum    1 weight  0.10000E+01 volume  0.27018E-02 ppm1      6.955 ppm2      6.688 CV     1
 ASSI {  343}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 52   and name HA  ))
      3.800     1.800     1.800 peak   343 spectrum    1 weight  0.10000E+01 volume  0.90012E-03 ppm1      6.964 ppm2      3.866 CV     1
 ASSI {  344}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 51   and name HB2 ))
      2.200     0.600     0.600 peak   344 spectrum    1 weight  0.10000E+01 volume  0.80764E-02 ppm1      6.965 ppm2      2.925 CV     1
 ASSI {  346}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 52   and name HG2 ))
      4.100     2.100     1.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.77148E-03 ppm1      6.967 ppm2      2.422 CV     1
 ASSI {  353}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      4.800     2.900     1.200 peak   353 spectrum    1 weight  0.10000E+01 volume  0.67829E-03 ppm1      6.929 ppm2      2.200 CV     1
 ASSI {  354}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   354 spectrum    1 weight  0.10000E+01 volume  0.25780E-02 ppm1      6.893 ppm2      7.927 CV     1
 ASSI {  359}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 26   and name HN  ))
      4.000     2.000     2.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.98638E-03 ppm1      6.803 ppm2      8.320 CV     1
 ASSI {  360}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 16   and name HA  ))
      2.200     0.600     0.600 peak   360 spectrum    1 weight  0.10000E+01 volume  0.68426E-03 ppm1      6.803 ppm2      5.646 CV     1
 ASSI {  366}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 40   and name HA1 ))
      3.600     1.600     1.600 peak   366 spectrum    1 weight  0.10000E+01 volume  0.17527E-02 ppm1      6.801 ppm2      3.710 CV     1
 ASSI {  367}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 51   and name HB2 ))
      3.400     1.400     1.400 peak   367 spectrum    1 weight  0.10000E+01 volume  0.35011E-03 ppm1      6.799 ppm2      2.936 CV     1
 ASSI {  369}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 15   and name HG2 ))
      3.700     1.700     1.700 peak   369 spectrum    1 weight  0.10000E+01 volume  0.18966E-02 ppm1      6.721 ppm2      2.398 CV     1
 ASSI {  370}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 25   and name HB2 ))
      2.100     0.600     0.600 peak   370 spectrum    1 weight  0.10000E+01 volume  0.32779E-02 ppm1      6.801 ppm2      2.293 CV     1
 ASSI {  371}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 43   and name HB  ))
      3.200     1.300     1.300 peak   371 spectrum    1 weight  0.10000E+01 volume  0.12155E-02 ppm1      6.800 ppm2      2.055 CV     1
 ASSI {  373}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 49   and name HB2 ))
      3.400     1.500     1.500 peak   373 spectrum    1 weight  0.10000E+01 volume  0.34406E-02 ppm1      6.691 ppm2      1.824 CV     1
 ASSI {  374}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 49   and name HB2 ))
      3.400     3.400     2.600 peak   374 spectrum    1 weight  0.10000E+01 volume  0.24654E-02 ppm1      6.800 ppm2      1.838 CV     1
 ASSI {  377}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 56   and name HB2 ))
      3.200     3.200     2.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.12941E-02 ppm1      6.723 ppm2      1.976 CV     1
 ASSI {  390}
   (( segid "    " and resid 37   and name HH2 ))
   (( segid "    " and resid 37   and name HZ2 ))
      2.100     0.500     0.500 peak   390 spectrum    1 weight  0.10000E+01 volume  0.57507E-02 ppm1      6.725 ppm2      7.283 CV     1
 OR {  390}
   (( segid "    " and resid 37   and name HZ3 ))
   (( segid "    " and resid 37   and name HZ2 ))
 ASSI {  394}
   (( segid "    " and resid 37   and name HH2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.200     2.200     1.800 peak   394 spectrum    1 weight  0.10000E+01 volume  0.11414E-02 ppm1      6.684 ppm2      8.320 CV     1
 OR {  394}
   (( segid "    " and resid 37   and name HZ3 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  403}
   (( segid "    " and resid 37   and name HH2 ))
   (( segid "    " and resid 27   and name HB  ))
      2.900     1.100     1.100 peak   403 spectrum    1 weight  0.10000E+01 volume  0.20012E-02 ppm1      6.687 ppm2      1.199 CV     1
 OR {  403}
   (( segid "    " and resid 37   and name HZ3 ))
   (( segid "    " and resid 27   and name HB  ))
 ASSI {  408}
   (  segid "    " and resid 51   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
      2.900     2.900     3.100 peak   408 spectrum    1 weight  0.10000E+01 volume  0.73814E-03 ppm1      6.598 ppm2      3.867 CV     1
 ASSI {  418}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.400     1.400     1.400 peak   418 spectrum    1 weight  0.10000E+01 volume  0.10618E-02 ppm1      5.647 ppm2      8.319 CV     1
 ASSI {  427}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      3.500     1.500     1.500 peak   427 spectrum    1 weight  0.10000E+01 volume  0.86955E-03 ppm1      5.536 ppm2      8.491 CV     1
 ASSI {  431}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak   431 spectrum    1 weight  0.10000E+01 volume  0.37306E-02 ppm1      5.298 ppm2      8.317 CV     1
 ASSI {  432}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.500     1.500 peak   432 spectrum    1 weight  0.10000E+01 volume  0.11532E-02 ppm1      5.305 ppm2      8.382 CV     1
 ASSI {  433}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HD% )
      2.000     0.500     0.500 peak   433 spectrum    1 weight  0.10000E+01 volume  0.26761E-02 ppm1      5.299 ppm2      6.801 CV     1
 ASSI {  436}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HE% )
      3.900     1.900     1.900 peak   436 spectrum    1 weight  0.10000E+01 volume  0.16991E-02 ppm1      5.300 ppm2      6.680 CV     1
 ASSI {  437}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 16   and name HA  ))
      4.400     2.400     1.600 peak   437 spectrum    1 weight  0.10000E+01 volume  0.13660E-02 ppm1      5.299 ppm2      5.642 CV     1
 ASSI {  441}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak   441 spectrum    1 weight  0.10000E+01 volume  0.35880E-02 ppm1      4.984 ppm2      9.794 CV     1
 ASSI {  452}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.200     2.200     3.800 peak   452 spectrum    1 weight  0.10000E+01 volume  0.32104E-02 ppm1      4.771 ppm2      8.788 CV     1
 ASSI {  455}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak   455 spectrum    1 weight  0.10000E+01 volume  0.49336E-02 ppm1      4.713 ppm2      8.493 CV     1
 ASSI {  459}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.100     1.200     1.200 peak   459 spectrum    1 weight  0.10000E+01 volume  0.92588E-03 ppm1      4.990 ppm2      8.695 CV     1
 ASSI {  464}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak   464 spectrum    1 weight  0.10000E+01 volume  0.19216E-02 ppm1      4.985 ppm2      2.816 CV     1
 ASSI {  466}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
      2.700     0.900     0.900 peak   466 spectrum    1 weight  0.10000E+01 volume  0.15454E-02 ppm1      4.849 ppm2      2.198 CV     1
 ASSI {  470}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.200     1.300     1.300 peak   470 spectrum    1 weight  0.10000E+01 volume  0.15141E-02 ppm1      4.900 ppm2      8.071 CV     1
 ASSI {  471}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.400     1.400     1.400 peak   471 spectrum    1 weight  0.10000E+01 volume  0.16369E-02 ppm1      4.897 ppm2      7.790 CV     1
 ASSI {  476}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 40   and name HA2 ))
      4.200     2.200     1.800 peak   476 spectrum    1 weight  0.10000E+01 volume  0.15301E-02 ppm1      4.909 ppm2      3.840 CV     1
 ASSI {  477}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.200     1.300     1.300 peak   477 spectrum    1 weight  0.10000E+01 volume  0.31361E-02 ppm1      4.906 ppm2      3.476 CV     1
 ASSI {  478}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.900     1.900     1.900 peak   478 spectrum    1 weight  0.10000E+01 volume  0.96030E-03 ppm1      4.885 ppm2      3.431 CV     1
 ASSI {  480}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
      3.600     1.700     1.700 peak   480 spectrum    1 weight  0.10000E+01 volume  0.16167E-02 ppm1      4.913 ppm2      3.072 CV     1
 ASSI {  484}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
      3.600     1.600     1.600 peak   484 spectrum    1 weight  0.10000E+01 volume  0.48084E-02 ppm1      4.791 ppm2      1.697 CV     1
 ASSI {  488}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.800     3.800     2.200 peak   488 spectrum    1 weight  0.10000E+01 volume  0.25909E-02 ppm1      4.852 ppm2      2.002 CV     1
 ASSI {  492}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      4.500     2.500     1.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.61611E-03 ppm1      4.912 ppm2      1.336 CV     1
 OR {  492}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI {  498}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     1.100     1.100 peak   498 spectrum    1 weight  0.10000E+01 volume  0.33679E-02 ppm1      4.689 ppm2      8.980 CV     1
 ASSI {  499}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak   499 spectrum    1 weight  0.10000E+01 volume  0.14964E-02 ppm1      4.631 ppm2      9.051 CV     1
 ASSI {  500}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.400     1.400 peak   500 spectrum    1 weight  0.10000E+01 volume  0.15374E-02 ppm1      4.779 ppm2      8.970 CV     1
 ASSI {  503}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.24476E-02 ppm1      4.801 ppm2      6.891 CV     1
 ASSI {  505}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
      5.400     3.700     0.600 peak   505 spectrum    1 weight  0.10000E+01 volume  0.38349E-03 ppm1      4.850 ppm2      4.352 CV     1
 ASSI {  507}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 20   and name HA2 ))
      2.300     2.300     3.700 peak   507 spectrum    1 weight  0.10000E+01 volume  0.27098E-02 ppm1      4.769 ppm2      3.895 CV     1
 OR {  507}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 20   and name HA1 ))
 ASSI {  514}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.900     1.000     1.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.33996E-02 ppm1      4.709 ppm2      2.766 CV     1
 ASSI {  516}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.600     0.800     0.800 peak   516 spectrum    1 weight  0.10000E+01 volume  0.58722E-02 ppm1      4.807 ppm2      2.908 CV     1
 ASSI {  518}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   518 spectrum    1 weight  0.10000E+01 volume  0.29608E-02 ppm1      4.774 ppm2      7.799 CV     1
 ASSI {  527}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 37   and name HZ3 ))
      3.400     3.400     2.600 peak   527 spectrum    1 weight  0.10000E+01 volume  0.29539E-02 ppm1      4.775 ppm2      6.685 CV     1
 ASSI {  540}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.99017E-03 ppm1      4.689 ppm2      9.795 CV     1
 ASSI {  541}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 51   and name HE% )
      3.800     1.800     1.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.94431E-03 ppm1      3.874 ppm2      6.598 CV     1
 ASSI {  543}
   (( segid "    " and resid 40   and name HA2 ))
   (( segid "    " and resid 24   and name HA  ))
      2.500     2.500     3.500 peak   543 spectrum    1 weight  0.10000E+01 volume  0.61432E-02 ppm1      3.813 ppm2      4.863 CV     1
 ASSI {  551}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak   551 spectrum    1 weight  0.10000E+01 volume  0.34559E-02 ppm1      4.630 ppm2      2.149 CV     1
 ASSI {  552}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      2.900     1.100     1.100 peak   552 spectrum    1 weight  0.10000E+01 volume  0.26552E-02 ppm1      4.692 ppm2      2.100 CV     1
 ASSI {  553}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.800     1.000     1.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.28332E-02 ppm1      4.535 ppm2      1.730 CV     1
 ASSI {  555}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.600     0.800     0.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.21281E-02 ppm1      4.467 ppm2      2.006 CV     1
 ASSI {  556}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.700     0.900     0.900 peak   556 spectrum    1 weight  0.10000E+01 volume  0.33753E-02 ppm1      4.580 ppm2      1.907 CV     1
 ASSI {  560}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.400     2.400     3.600 peak   560 spectrum    1 weight  0.10000E+01 volume  0.19282E-02 ppm1      4.676 ppm2      8.369 CV     1
 ASSI {  562}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak   562 spectrum    1 weight  0.10000E+01 volume  0.39253E-02 ppm1      4.539 ppm2      1.615 CV     1
 OR {  562}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  569}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.900     1.100     1.100 peak   569 spectrum    1 weight  0.10000E+01 volume  0.31736E-02 ppm1      4.574 ppm2      2.737 CV     1
 ASSI {  571}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.900     1.100     1.100 peak   571 spectrum    1 weight  0.10000E+01 volume  0.40713E-02 ppm1      4.526 ppm2      2.230 CV     1
 ASSI {  572}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG2 ))
      3.300     1.300     1.300 peak   572 spectrum    1 weight  0.10000E+01 volume  0.37167E-02 ppm1      4.528 ppm2      2.332 CV     1
 ASSI {  573}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
      3.300     1.400     1.400 peak   573 spectrum    1 weight  0.10000E+01 volume  0.34639E-02 ppm1      4.610 ppm2      2.396 CV     1
 ASSI {  574}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
      4.000     2.000     2.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.74405E-03 ppm1      4.467 ppm2      2.282 CV     1
 ASSI {  576}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak   576 spectrum    1 weight  0.10000E+01 volume  0.10347E-02 ppm1      4.461 ppm2      8.306 CV     1
 ASSI {  577}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.300     1.300     1.300 peak   577 spectrum    1 weight  0.10000E+01 volume  0.20659E-02 ppm1      4.581 ppm2      8.083 CV     1
 ASSI {  578}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      4.600     2.600     1.400 peak   578 spectrum    1 weight  0.10000E+01 volume  0.29907E-03 ppm1      4.560 ppm2      8.018 CV     1
 ASSI {  587}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
      2.700     2.700     3.300 peak   587 spectrum    1 weight  0.10000E+01 volume  0.11487E-02 ppm1      4.568 ppm2      5.536 CV     1
 ASSI {  588}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      4.000     2.000     2.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.43738E-03 ppm1      4.528 ppm2      8.796 CV     1
 ASSI {  589}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   589 spectrum    1 weight  0.10000E+01 volume  0.13483E-02 ppm1      4.536 ppm2      7.812 CV     1
 ASSI {  590}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HZ3 ))
      4.100     2.100     1.900 peak   590 spectrum    1 weight  0.10000E+01 volume  0.67553E-03 ppm1      4.539 ppm2      7.505 CV     1
 ASSI {  595}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      5.700     4.100     0.300 peak   595 spectrum    1 weight  0.10000E+01 volume  0.25036E-03 ppm1      4.478 ppm2      8.385 CV     1
 ASSI {  598}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HA1 ))
      4.100     2.100     1.900 peak   598 spectrum    1 weight  0.10000E+01 volume  0.19929E-02 ppm1      4.436 ppm2      3.791 CV     1
 ASSI {  599}
   (( segid "    " and resid 32   and name HA1 ))
   (( segid "    " and resid 32   and name HA2 ))
      1.900     0.500     0.500 peak   599 spectrum    1 weight  0.10000E+01 volume  0.75169E-02 ppm1      4.289 ppm2      3.763 CV     1
 ASSI {  600}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 18   and name HA2 ))
      2.000     0.500     0.500 peak   600 spectrum    1 weight  0.10000E+01 volume  0.56358E-02 ppm1      4.216 ppm2      3.627 CV     1
 ASSI {  601}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HA2 ))
      4.700     2.700     1.300 peak   601 spectrum    1 weight  0.10000E+01 volume  0.45789E-03 ppm1      4.356 ppm2      3.818 CV     1
 ASSI {  606}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      4.500     2.600     1.500 peak   606 spectrum    1 weight  0.10000E+01 volume  0.87687E-03 ppm1      4.391 ppm2      8.576 CV     1
 ASSI {  607}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.300     3.300     2.700 peak   607 spectrum    1 weight  0.10000E+01 volume  0.33673E-02 ppm1      4.393 ppm2      2.133 CV     1
 ASSI {  608}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.500     1.600     1.600 peak   608 spectrum    1 weight  0.10000E+01 volume  0.19067E-02 ppm1      4.363 ppm2      2.200 CV     1
 ASSI {  609}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB  ))
      3.100     1.200     1.200 peak   609 spectrum    1 weight  0.10000E+01 volume  0.14724E-02 ppm1      4.277 ppm2      2.048 CV     1
 ASSI {  612}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   612 spectrum    1 weight  0.10000E+01 volume  0.34542E-02 ppm1      4.360 ppm2      1.771 CV     1
 ASSI {  625}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG1 ))
      5.200     3.400     0.800 peak   625 spectrum    1 weight  0.10000E+01 volume  0.35672E-03 ppm1      4.254 ppm2      1.345 CV     1
 OR {  625}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {  627}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.500     0.800     0.800 peak   627 spectrum    1 weight  0.10000E+01 volume  0.12958E-02 ppm1      4.354 ppm2      8.977 CV     1
 ASSI {  630}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.000     1.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.33290E-02 ppm1      4.221 ppm2      7.812 CV     1
 ASSI {  632}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.13970E-02 ppm1      4.357 ppm2      7.228 CV     1
 ASSI {  634}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB  ))
      4.300     2.300     1.700 peak   634 spectrum    1 weight  0.10000E+01 volume  0.80802E-03 ppm1      4.357 ppm2      1.139 CV     1
 ASSI {  640}
   (( segid "    " and resid 32   and name HA1 ))
   (( segid "    " and resid 32   and name HN  ))
      3.200     1.300     1.300 peak   640 spectrum    1 weight  0.10000E+01 volume  0.13344E-02 ppm1      4.292 ppm2      8.079 CV     1
 ASSI {  642}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      3.400     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.46519E-02 ppm1      4.231 ppm2      8.017 CV     1
 ASSI {  643}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     0.800     0.800 peak   643 spectrum    1 weight  0.10000E+01 volume  0.41026E-02 ppm1      4.181 ppm2      7.992 CV     1
 ASSI {  644}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.400     1.400 peak   644 spectrum    1 weight  0.10000E+01 volume  0.94675E-03 ppm1      4.220 ppm2      7.954 CV     1
 ASSI {  646}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HD% )
      2.300     0.700     0.700 peak   646 spectrum    1 weight  0.10000E+01 volume  0.39878E-02 ppm1      4.217 ppm2      6.963 CV     1
 ASSI {  649}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      4.100     2.100     1.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.69434E-03 ppm1      4.346 ppm2      2.839 CV     1
 ASSI {  650}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HE% )
      4.500     2.500     1.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.11126E-02 ppm1      4.216 ppm2      6.594 CV     1
 ASSI {  651}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.900     0.900 peak   651 spectrum    1 weight  0.10000E+01 volume  0.43043E-02 ppm1      4.276 ppm2      8.597 CV     1
 ASSI {  652}
   (( segid "    " and resid 32   and name HA1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak   652 spectrum    1 weight  0.10000E+01 volume  0.86050E-03 ppm1      4.290 ppm2      7.687 CV     1
 ASSI {  653}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.200     0.600     0.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.57193E-02 ppm1      4.217 ppm2      2.924 CV     1
 ASSI {  664}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.400     1.500     1.500 peak   664 spectrum    1 weight  0.10000E+01 volume  0.13403E-02 ppm1      4.126 ppm2      8.066 CV     1
 ASSI {  666}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.800     0.900     0.900 peak   666 spectrum    1 weight  0.10000E+01 volume  0.41061E-02 ppm1      4.220 ppm2      7.603 CV     1
 ASSI {  667}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.000     1.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.15788E-02 ppm1      4.216 ppm2      7.469 CV     1
 ASSI {  668}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
      3.700     1.700     1.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.10076E-02 ppm1      4.224 ppm2      2.200 CV     1
 ASSI {  669}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.800     1.000     1.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.20179E-02 ppm1      4.219 ppm2      1.958 CV     1
 ASSI {  671}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 4    and name HB  ))
      1.800     0.400     0.400 peak   671 spectrum    1 weight  0.10000E+01 volume  0.87161E-02 ppm1      4.192 ppm2      1.832 CV     1
 ASSI {  672}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.800     1.000     1.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.24859E-02 ppm1      4.125 ppm2      7.521 CV     1
 ASSI {  673}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.100     1.200     1.200 peak   673 spectrum    1 weight  0.10000E+01 volume  0.16914E-02 ppm1      4.176 ppm2      7.310 CV     1
 ASSI {  674}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
      2.900     1.100     1.100 peak   674 spectrum    1 weight  0.10000E+01 volume  0.37584E-02 ppm1      4.128 ppm2      1.716 CV     1
 ASSI {  675}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.100     1.200     1.200 peak   675 spectrum    1 weight  0.10000E+01 volume  0.31166E-02 ppm1      4.180 ppm2      1.648 CV     1
 ASSI {  677}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.300     0.600     0.600 peak   677 spectrum    1 weight  0.10000E+01 volume  0.65607E-02 ppm1      4.128 ppm2      8.964 CV     1
 ASSI {  679}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      4.700     2.700     1.300 peak   679 spectrum    1 weight  0.10000E+01 volume  0.68041E-03 ppm1      4.116 ppm2      8.290 CV     1
 ASSI {  682}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.800     1.800     1.800 peak   682 spectrum    1 weight  0.10000E+01 volume  0.13330E-02 ppm1      3.965 ppm2      7.227 CV     1
 ASSI {  683}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.22846E-02 ppm1      4.130 ppm2      6.890 CV     1
 ASSI {  684}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HA  ))
      3.300     1.400     1.400 peak   684 spectrum    1 weight  0.10000E+01 volume  0.10775E-02 ppm1      4.118 ppm2      4.001 CV     1
 ASSI {  685}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB  ))
      2.700     0.900     0.900 peak   685 spectrum    1 weight  0.10000E+01 volume  0.60950E-02 ppm1      4.124 ppm2      2.076 CV     1
 ASSI {  691}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      3.300     1.300     1.300 peak   691 spectrum    1 weight  0.10000E+01 volume  0.25537E-02 ppm1      4.069 ppm2      8.479 CV     1
 ASSI {  694}
   (( segid "    " and resid 33   and name HA2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.000     1.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.44920E-02 ppm1      3.994 ppm2      7.685 CV     1
 ASSI {  696}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.100     1.200     1.200 peak   696 spectrum    1 weight  0.10000E+01 volume  0.13883E-02 ppm1      3.989 ppm2      8.596 CV     1
 ASSI {  698}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   698 spectrum    1 weight  0.10000E+01 volume  0.31024E-02 ppm1      3.961 ppm2      8.715 CV     1
 ASSI {  699}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.29031E-02 ppm1      3.968 ppm2      8.266 CV     1
 ASSI {  703}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.600     1.600     1.600 peak   703 spectrum    1 weight  0.10000E+01 volume  0.15308E-02 ppm1      3.969 ppm2      7.890 CV     1
 ASSI {  705}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
      2.900     1.100     1.100 peak   705 spectrum    1 weight  0.10000E+01 volume  0.93352E-03 ppm1      3.983 ppm2      3.097 CV     1
 ASSI {  706}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.800     1.000     1.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.65504E-02 ppm1      3.954 ppm2      2.020 CV     1
 ASSI {  708}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.500     0.800     0.800 peak   708 spectrum    1 weight  0.10000E+01 volume  0.70475E-02 ppm1      3.969 ppm2      1.811 CV     1
 ASSI {  709}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   709 spectrum    1 weight  0.10000E+01 volume  0.38975E-02 ppm1      3.960 ppm2      8.912 CV     1
 ASSI {  711}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
      3.600     1.600     1.600 peak   711 spectrum    1 weight  0.10000E+01 volume  0.32320E-02 ppm1      3.963 ppm2      2.377 CV     1
 ASSI {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.800     2.800     3.200 peak   713 spectrum    1 weight  0.10000E+01 volume  0.38592E-02 ppm1      3.966 ppm2      2.145 CV     1
 ASSI {  714}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      3.200     1.300     1.300 peak   714 spectrum    1 weight  0.10000E+01 volume  0.19901E-02 ppm1      3.877 ppm2      1.633 CV     1
 ASSI {  715}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.200     1.300     1.300 peak   715 spectrum    1 weight  0.10000E+01 volume  0.42834E-02 ppm1      3.966 ppm2      1.604 CV     1
 ASSI {  717}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB  ))
      3.500     1.500     1.500 peak   717 spectrum    1 weight  0.10000E+01 volume  0.72909E-03 ppm1      3.961 ppm2      1.144 CV     1
 ASSI {  722}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.200     1.300     1.300 peak   722 spectrum    1 weight  0.10000E+01 volume  0.11845E-02 ppm1      3.864 ppm2      8.474 CV     1
 ASSI {  723}
   (( segid "    " and resid 54   and name HA1 ))
   (( segid "    " and resid 55   and name HN  ))
      3.200     1.300     1.300 peak   723 spectrum    1 weight  0.10000E+01 volume  0.14888E-02 ppm1      3.802 ppm2      7.310 CV     1
 ASSI {  726}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
      4.000     2.000     2.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.11581E-02 ppm1      3.864 ppm2      2.419 CV     1
 ASSI {  729}
   (( segid "    " and resid 40   and name HA2 ))
   (( segid "    " and resid 43   and name HB  ))
      2.900     1.100     1.100 peak   729 spectrum    1 weight  0.10000E+01 volume  0.55247E-03 ppm1      3.816 ppm2      2.053 CV     1
 ASSI {  734}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     0.700     0.700 peak   734 spectrum    1 weight  0.10000E+01 volume  0.32195E-02 ppm1      3.841 ppm2      9.052 CV     1
 ASSI {  735}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.900     0.900 peak   735 spectrum    1 weight  0.10000E+01 volume  0.85491E-03 ppm1      3.839 ppm2      8.588 CV     1
 ASSI {  736}
   (( segid "    " and resid 32   and name HA2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.500     1.500 peak   736 spectrum    1 weight  0.10000E+01 volume  0.14550E-02 ppm1      3.765 ppm2      8.083 CV     1
 ASSI {  748}
   (( segid "    " and resid 40   and name HA1 ))
   (( segid "    " and resid 47   and name HB  ))
      2.900     1.000     1.000 peak   748 spectrum    1 weight  0.10000E+01 volume  0.88066E-03 ppm1      3.696 ppm2      1.949 CV     1
 ASSI {  759}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      4.200     2.200     1.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.89563E-03 ppm1      3.579 ppm2      2.616 CV     1
 ASSI {  760}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB  ))
      2.500     0.800     0.800 peak   760 spectrum    1 weight  0.10000E+01 volume  0.14335E-02 ppm1      3.574 ppm2      1.941 CV     1
 ASSI {  762}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.900     1.900     1.900 peak   762 spectrum    1 weight  0.10000E+01 volume  0.63172E-03 ppm1      3.501 ppm2      8.712 CV     1
 ASSI {  766}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 28   and name HD2 ))
      3.400     3.400     2.600 peak   766 spectrum    1 weight  0.10000E+01 volume  0.67347E-02 ppm1      3.496 ppm2      3.076 CV     1
 ASSI {  767}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      2.900     1.000     1.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.10834E-02 ppm1      3.440 ppm2      8.068 CV     1
 ASSI {  775}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
      3.700     1.700     1.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.92691E-03 ppm1      3.112 ppm2      1.913 CV     1
 ASSI {  776}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HG1 ))
      2.400     0.700     0.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.39774E-02 ppm1      3.108 ppm2      1.333 CV     1
 OR {  776}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {  781}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 25   and name HE% )
      3.100     1.200     1.200 peak   781 spectrum    1 weight  0.10000E+01 volume  0.16083E-02 ppm1      2.931 ppm2      6.685 CV     1
 ASSI {  782}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 51   and name HE% )
      3.600     1.600     1.600 peak   782 spectrum    1 weight  0.10000E+01 volume  0.32557E-02 ppm1      2.926 ppm2      6.596 CV     1
 ASSI {  783}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 7    and name HE% )
      4.700     2.700     1.300 peak   783 spectrum    1 weight  0.10000E+01 volume  0.99608E-03 ppm1      2.865 ppm2      6.724 CV     1
 ASSI {  794}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 31   and name HN  ))
      4.300     2.300     1.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.11018E-02 ppm1      3.088 ppm2      8.714 CV     1
 ASSI {  819}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.400     1.400     1.400 peak   819 spectrum    1 weight  0.10000E+01 volume  0.27884E-02 ppm1      2.908 ppm2      7.926 CV     1
 ASSI {  820}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.500     1.500     1.500 peak   820 spectrum    1 weight  0.10000E+01 volume  0.47458E-03 ppm1      2.853 ppm2      7.962 CV     1
 ASSI {  823}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 50   and name HB2 ))
      2.500     2.500     3.500 peak   823 spectrum    1 weight  0.10000E+01 volume  0.14185E-01 ppm1      2.907 ppm2      2.639 CV     1
 ASSI {  831}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      3.400     1.400     1.400 peak   831 spectrum    1 weight  0.10000E+01 volume  0.20597E-02 ppm1      2.851 ppm2      7.603 CV     1
 ASSI {  832}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 7    and name HD% )
      2.000     0.500     0.500 peak   832 spectrum    1 weight  0.10000E+01 volume  0.99364E-02 ppm1      2.872 ppm2      7.177 CV     1
 ASSI {  833}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 57   and name HD% )
      3.700     1.700     1.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.99993E-03 ppm1      2.852 ppm2      7.065 CV     1
 ASSI {  842}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.200     0.600     0.600 peak   842 spectrum    1 weight  0.10000E+01 volume  0.43077E-02 ppm1      2.060 ppm2      1.732 CV     1
 ASSI {  843}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak   843 spectrum    1 weight  0.10000E+01 volume  0.33659E-02 ppm1      2.152 ppm2      1.613 CV     1
 OR {  843}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  847}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HB2 ))
      2.400     0.700     0.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.42869E-02 ppm1      2.199 ppm2      1.726 CV     1
 ASSI {  849}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 52   and name HB2 ))
      2.900     1.000     1.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.61470E-02 ppm1      2.413 ppm2      1.940 CV     1
 ASSI {  851}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.300     3.300     2.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.75549E-02 ppm1      2.205 ppm2      1.988 CV     1
 ASSI {  852}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.700     0.900     0.900 peak   852 spectrum    1 weight  0.10000E+01 volume  0.45511E-02 ppm1      1.932 ppm2      1.776 CV     1
 ASSI {  853}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.800     1.900     1.900 peak   853 spectrum    1 weight  0.10000E+01 volume  0.95369E-03 ppm1      2.748 ppm2      3.573 CV     1
 ASSI {  854}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak   854 spectrum    1 weight  0.10000E+01 volume  0.46589E-02 ppm1      2.768 ppm2      8.494 CV     1
 ASSI {  861}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      3.700     1.800     1.800 peak   861 spectrum    1 weight  0.10000E+01 volume  0.24035E-02 ppm1      2.747 ppm2      7.891 CV     1
 ASSI {  862}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      4.700     2.800     1.300 peak   862 spectrum    1 weight  0.10000E+01 volume  0.83236E-03 ppm1      2.742 ppm2      7.474 CV     1
 ASSI {  867}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak   867 spectrum    1 weight  0.10000E+01 volume  0.10378E-02 ppm1      2.719 ppm2      4.327 CV     1
 ASSI {  869}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 25   and name HE% )
      3.400     1.400     1.400 peak   869 spectrum    1 weight  0.10000E+01 volume  0.99055E-03 ppm1      2.702 ppm2      6.685 CV     1
 ASSI {  871}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 49   and name HB2 ))
      3.700     1.700     1.700 peak   871 spectrum    1 weight  0.10000E+01 volume  0.13309E-02 ppm1      2.617 ppm2      1.822 CV     1
 ASSI {  872}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 49   and name HB2 ))
      4.400     2.400     1.600 peak   872 spectrum    1 weight  0.10000E+01 volume  0.10799E-02 ppm1      2.711 ppm2      1.822 CV     1
 ASSI {  891}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.000     1.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.41061E-02 ppm1      2.648 ppm2      8.500 CV     1
 ASSI {  900}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 7    and name HE% )
      3.800     1.800     1.800 peak   900 spectrum    1 weight  0.10000E+01 volume  0.76313E-03 ppm1      2.612 ppm2      6.730 CV     1
 ASSI {  902}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.500     1.500 peak   902 spectrum    1 weight  0.10000E+01 volume  0.93352E-03 ppm1      2.613 ppm2      4.332 CV     1
 ASSI {  903}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.200     2.200     3.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.42938E-01 ppm1      2.607 ppm2      2.730 CV     1
 ASSI {  915}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.800     0.800 peak   915 spectrum    1 weight  0.10000E+01 volume  0.23830E-02 ppm1      2.343 ppm2      8.131 CV     1
 ASSI {  916}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak   916 spectrum    1 weight  0.10000E+01 volume  0.25391E-02 ppm1      2.233 ppm2      8.129 CV     1
 ASSI {  917}
   (( segid "    " and resid 15   and name HG2 ))
   (  segid "    " and resid 51   and name HD% )
      3.400     1.400     1.400 peak   917 spectrum    1 weight  0.10000E+01 volume  0.53682E-03 ppm1      2.420 ppm2      6.963 CV     1
 ASSI {  923}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak   923 spectrum    1 weight  0.10000E+01 volume  0.18663E-02 ppm1      2.227 ppm2      8.585 CV     1
 ASSI {  924}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.100     0.600     0.600 peak   924 spectrum    1 weight  0.10000E+01 volume  0.24282E-02 ppm1      2.401 ppm2      8.730 CV     1
 ASSI {  925}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.400     1.400 peak   925 spectrum    1 weight  0.10000E+01 volume  0.81637E-03 ppm1      2.345 ppm2      8.582 CV     1
 ASSI {  929}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.300     1.400     1.400 peak   929 spectrum    1 weight  0.10000E+01 volume  0.46206E-02 ppm1      1.937 ppm2      8.700 CV     1
 ASSI {  934}
   (( segid "    " and resid 9    and name HG2 ))
   (  segid "    " and resid 7    and name HD% )
      4.600     2.600     1.400 peak   934 spectrum    1 weight  0.10000E+01 volume  0.89248E-03 ppm1      2.343 ppm2      7.182 CV     1
 ASSI {  950}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 29   and name HZ3 ))
      4.500     2.500     1.500 peak   950 spectrum    1 weight  0.10000E+01 volume  0.97488E-03 ppm1      2.349 ppm2      7.513 CV     1
 ASSI {  955}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 29   and name HE1 ))
      3.800     1.800     1.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.11685E-02 ppm1      2.254 ppm2     10.122 CV     1
 ASSI {  957}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   957 spectrum    1 weight  0.10000E+01 volume  0.17523E-02 ppm1      2.156 ppm2      7.224 CV     1
 ASSI {  960}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     0.700     0.700 peak   960 spectrum    1 weight  0.10000E+01 volume  0.20506E-02 ppm1      2.154 ppm2      9.052 CV     1
 ASSI {  963}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.400     1.400 peak   963 spectrum    1 weight  0.10000E+01 volume  0.11731E-02 ppm1      1.958 ppm2      7.993 CV     1
 ASSI {  994}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     1.300     1.300 peak   994 spectrum    1 weight  0.10000E+01 volume  0.19230E-02 ppm1      2.058 ppm2      9.195 CV     1
 ASSI {  997}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 25   and name HE% )
      3.700     1.700     1.700 peak   997 spectrum    1 weight  0.10000E+01 volume  0.18135E-02 ppm1      2.057 ppm2      6.683 CV     1
 ASSI { 1005}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HB2 ))
      4.400     2.400     1.600 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.12968E-02 ppm1      2.041 ppm2      2.815 CV     1
 ASSI { 1014}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HG2 ))
      2.700     0.900     0.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.86852E-02 ppm1      1.989 ppm2      2.202 CV     1
 ASSI { 1015}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.600     0.800     0.800 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.41756E-02 ppm1      2.024 ppm2      2.266 CV     1
 ASSI { 1018}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.38766E-02 ppm1      1.645 ppm2      7.312 CV     1
 ASSI { 1021}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HZ2 ))
      3.900     1.900     1.900 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.12899E-02 ppm1      1.977 ppm2      7.280 CV     1
 ASSI { 1024}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.36263E-02 ppm1      1.935 ppm2      8.479 CV     1
 ASSI { 1025}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.38314E-02 ppm1      1.836 ppm2      8.497 CV     1
 ASSI { 1026}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.28555E-02 ppm1      1.932 ppm2      3.861 CV     1
 ASSI { 1029}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.51560E-02 ppm1      1.875 ppm2      2.144 CV     1
 ASSI { 1033}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      1.800     0.400     0.400 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.32539E-02 ppm1      1.820 ppm2      7.893 CV     1
 ASSI { 1036}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      2.800     1.000     1.000 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.30144E-02 ppm1      1.847 ppm2      8.018 CV     1
 ASSI { 1037}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 56   and name HN  ))
      4.100     2.100     1.900 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.14049E-02 ppm1      1.813 ppm2      7.994 CV     1
 ASSI { 1038}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
      3.200     1.300     1.300 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.10875E-02 ppm1      1.854 ppm2      4.072 CV     1
 ASSI { 1039}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      1.900     0.400     0.400 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.68458E-02 ppm1      1.821 ppm2      8.266 CV     1
 ASSI { 1040}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 55   and name HA  ))
      3.700     3.700     2.300 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.29904E-02 ppm1      1.833 ppm2      4.183 CV     1
 ASSI { 1043}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 51   and name HB2 ))
      3.900     3.900     2.100 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.42938E-02 ppm1      1.825 ppm2      2.937 CV     1
 ASSI { 1045}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.700     2.700     3.300 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.88657E-02 ppm1      1.795 ppm2      1.958 CV     1
 ASSI { 1046}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.21511E-02 ppm1      1.627 ppm2      8.907 CV     1
 ASSI { 1055}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
      3.100     1.200     1.200 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.83686E-02 ppm1      1.788 ppm2      1.598 CV     1
 OR { 1055}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 1060}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.42104E-02 ppm1      1.599 ppm2      8.677 CV     1
 OR { 1060}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 1061}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     1.100     1.100 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.23482E-02 ppm1      1.600 ppm2      8.128 CV     1
 OR { 1061}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 1062}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.800     1.800     1.800 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.21020E-02 ppm1      1.617 ppm2      7.813 CV     1
 ASSI { 1105}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     1.300     1.300 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.18343E-02 ppm1      1.329 ppm2      7.222 CV     1
 ASSI { 1122}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 37   and name HZ3 ))
      2.900     1.100     1.100 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.29076E-02 ppm1      1.210 ppm2      6.685 CV     1
 ASSI { 1124}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 16   and name HA  ))
      4.300     2.300     1.700 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.54168E-03 ppm1      1.212 ppm2      5.645 CV     1
 ASSI { 1132}
   (( segid "    " and resid 13   and name HB  ))
   (  segid "    " and resid 51   and name HD% )
      3.100     1.200     1.200 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.36437E-02 ppm1      1.133 ppm2      6.969 CV     1
 ASSI { 1144}
   (( segid "    " and resid 13   and name HB  ))
   (  segid "    " and resid 7    and name HD% )
      3.400     1.500     1.500 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.28301E-02 ppm1      1.123 ppm2      7.187 CV     1
 ASSI { 1237}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HB  ))
      3.800     1.800     1.800 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.23489E-02 ppm1      0.500 ppm2      1.213 CV     1
 ASSI { 1239}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      4.800     2.900     1.200 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.43877E-03 ppm1      0.496 ppm2      8.493 CV     1
 ASSI { 1241}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      4.200     2.200     1.800 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.93178E-03 ppm1      0.497 ppm2      8.132 CV     1
 ASSI { 1325}
   (( segid "    " and resid 54   and name HA2 ))
   (( segid "    " and resid 54   and name HA1 ))
      1.900     0.500     0.500 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.75934E-02 ppm1      3.983 ppm2      3.789 CV     1
 ASSI { 1326}
   (( segid "    " and resid 40   and name HA2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.600     0.900     0.900 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.25519E-02 ppm1      3.839 ppm2      7.506 CV     1
 ASSI { 1327}
   (( segid "    " and resid 54   and name HA1 ))
   (( segid "    " and resid 54   and name HN  ))
      3.100     1.200     1.200 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.28266E-02 ppm1      3.799 ppm2      7.643 CV     1
 ASSI { 1332}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.900     1.100     1.100 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.11807E-02 ppm1      8.694 ppm2      8.477 CV     1
 ASSI { 1333}
   (( segid "    " and resid 40   and name HA2 ))
   (  segid "    " and resid 25   and name HD% )
      3.100     1.200     1.200 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.28339E-02 ppm1      3.817 ppm2      6.802 CV     1
 ASSI { 1334}
   (( segid "    " and resid 40   and name HA2 ))
   (  segid "    " and resid 25   and name HE% )
      3.800     1.800     1.800 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.29560E-02 ppm1      3.818 ppm2      6.688 CV     1
 ASSI { 1339}
   (( segid "    " and resid 40   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.23507E-02 ppm1      3.704 ppm2      8.674 CV     1
 ASSI { 1340}
   (( segid "    " and resid 18   and name HA2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.600     0.600 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.81528E-02 ppm1      3.628 ppm2      8.298 CV     1
 ASSI { 1341}
   (( segid "    " and resid 18   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.56673E-02 ppm1      3.642 ppm2      7.811 CV     1
 ASSI { 1345}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 28   and name HG1 ))
      2.700     0.900     0.900 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.31688E-02 ppm1      2.153 ppm2      1.336 CV     1
 OR { 1345}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 1349}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 28   and name HG1 ))
      3.700     1.700     1.700 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.40296E-02 ppm1      1.789 ppm2      1.335 CV     1
 OR { 1349}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 1352}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG1 ))
      1.800     0.400     0.400 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.23559E-01 ppm1      1.634 ppm2      1.331 CV     1
 OR { 1352}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR { 1352}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR { 1352}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI { 1356}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 38   and name HB  ))
      2.200     0.600     0.600 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.39427E-02 ppm1      2.212 ppm2      2.104 CV     1
   
!Y57 
 assign (resid   56 and  name HA    )(resid   57 and  name HN   ) 3.0 1.2 0.5
 assign (resid   56 and  name HN    )(resid   57 and  name HN   ) 3.5 1.7 0.5
 assign (resid   54 and  name HN    )(resid   57 and  name HN   ) 4.0 2.2 0.5
 assign (resid   56 and  name HB#   )(resid   57 and  name HN   ) 4.1 2.1 1.9
 assign (resid   57 and  name HD*   )(resid   57 and  name HN   ) 4.0 2.2 1.5
 assign (resid   55 and  name HB#   )(resid   57 and  name HN   ) 4.0 2.2 1.0
 assign (resid   57 and  name HB#   )(resid   57 and  name HN   ) 3.0 1.2 1.0
 assign (resid   54 and  name HA#   )(resid   57 and  name HN   ) 4.0 2.2 1.0
 assign (resid   57 and  name HA    )(resid   57 and  name HN   ) 2.5 0.7 0.5
 assign (resid   57 and  name HB#   )(resid   57 and  name HD*  ) 3.5 1.7 2.0
 assign (resid   57 and  name HA    )(resid   57 and  name HD*  ) 3.5 1.7 2.0
 assign (resid   57 and  name HE*   )(resid   57 and  name HD*  ) 2.5 0.7 2.0
 assign (resid   57 and  name HB#   )(resid   57 and  name HA   ) 3.5 1.7 1.0
 
 
 
  

!E56 
 assign (resid   55 and  name HA    )(resid   56 and  name HN   ) 3.0 1.2 0.5
 assign (resid   55 and  name HN    )(resid   56 and  name HN   ) 3.5 1.7 0.5
 assign (resid   56 and  name HG#   )(resid   56 and  name HN   ) 3.6 1.6 1.6
 assign (resid   56 and  name HB#   )(resid   56 and  name HN   ) 3.7 1.7 1.7
 assign (resid   55 and  name HB#   )(resid   56 and  name HN   ) 4.6 2.7 1.4
 assign (resid   56 and  name HA    )(resid   56 and  name HN   ) 2.5 0.7 0.5
 
    
   
!L55
 assign (resid   54 and  name HN    )(resid   55 and  name HN   ) 3.5 1.7 0.5
 assign (resid   54 and  name HA    )(resid   55 and  name HN   ) 3.0 1.7 0.5
 assign (resid   53 and  name HA    )(resid   55 and  name HN   ) 4.0 2.2 0.5
 assign (resid   53 and  name HN    )(resid   55 and  name HN   ) 5.0 3.2 0.5
 assign (resid   52 and  name HA    )(resid   55 and  name HN   ) 3.5 1.7 0.5
 assign (resid   52 and  name HA    )(resid   55 and  name HB#  ) 3.0 1.2 1.0
 assign (resid   15 and  name HG#   )(resid   55 and  name HN   ) 4.0 2.0 1.4 
 assign (resid   55 and  name HB#   )(resid   55 and  name HN   ) 3.0 1.2 1.0
 assign (resid   55 and  name HD*   )(resid   55 and  name HN   ) 4.0 2.2 1.5
 assign (resid   55 and  name HG    )(resid   55 and  name HN   ) 3.5 1.7 0.5
 assign (resid   55 and  name HA    )(resid   55 and  name HN   ) 3.0 1.2 0.5
 
 
 
 
   
!G54
 assign (resid   53 and  name HA    )(resid   54 and  name HN   ) 3.5 1.7 0.5
 assign (resid   53 and  name HN    )(resid   54 and  name HN   ) 3.5 1.7 0.5
 assign (resid   53 and  name HB#   )(resid   54 and  name HN   ) 4.8 2.9 1.2
 
!D53
 assign (resid   52 and  name HN    )(resid   53 and  name HN   ) 3.0 1.2 0.5
 assign (resid   52 and  name HA    )(resid   53 and  name HN   ) 3.5 1.7 0.5
 assign (resid   51 and  name HN    )(resid   53 and  name HN   ) 4.0 2.2 0.5
 assign (resid   50 and  name HA    )(resid   53 and  name HN   ) 2.5 0.7 0.5
 assign (resid   50 and  name HA    )(resid   53 and  name HB#  ) 3.0 1.2 1.0
 assign (resid   49 and  name HA    )(resid   53 and  name HN   ) 4.0 2.2 0.5
 assign (resid   53 and  name HB#   )(resid   53 and  name HN   ) 3.3 1.3 1.3
 assign (resid   15 and  name HG#   )(resid   53 and  name HN   ) 4.7 2.8 1.3
 assign (resid   52 and  name HB#   )(resid   53 and  name HN   ) 3.0 1.1 1.1
 assign (resid   53 and  name HA    )(resid   53 and  name HN   ) 3.0 1.2 0.5
 assign (resid   53 and  name HB#   )(resid   53 and  name HA   ) 3.5 1.7 1.0
 
 
 
  
  
!E52
 assign (resid   51 and  name HN    )(resid   52 and  name HN   ) 3.0 1.2 0.5
 assign (resid   50 and  name HN    )(resid   52 and  name HN   ) 4.0 2.2 0.5
 assign (resid   49 and  name HA    )(resid   52 and  name HN   ) 3.5 1.7 0.5
 assign (resid   49 and  name HA    )(resid   52 and  name HB#  ) 3.8 2.0 1.0
 assign (resid   48 and  name HA    )(resid   52 and  name HN   ) 4.5 2.7 0.5
 assign (resid   52 and  name HB#   )(resid   52 and  name HN   ) 3.0 1.2 1.0
 assign (resid   52 and  name HG#   )(resid   52 and  name HN   ) 3.5 1.7 1.0
 assign (resid   52 and  name HA    )(resid   52 and  name HN   ) 3.0 1.2 0.5
 assign (resid   51 and  name HD*   )(resid   52 and  name HN   ) 2.5 0.7 2.0
 
 
 
 
 
 
!Y51
 assign (resid   50 and  name HN    )(resid   51 and  name HN   ) 2.5 0.7 0.5
 assign (resid   49 and  name HN    )(resid   51 and  name HN   ) 4.0 2.2 0.5
 assign (resid   48 and  name HA    )(resid   51 and  name HN   ) 3.5 1.7 0.5
 assign (resid   48 and  name HA    )(resid   51 and  name HB#  ) 3.0 1.2 1.0
 assign (resid   50 and  name HA    )(resid   51 and  name HN   ) 3.5 1.7 0.5 
 assign (resid   50 and  name HB#   )(resid   51 and  name HN   ) 4.0 2.0 2.0
 assign (resid   15 and  name HG#   )(resid   51 and  name HD#  ) 4.5 2.7 1.7
 assign (resid   15 and  name HG#   )(resid   51 and  name HE*  ) 4.1 2.1 1.9
 assign (resid   13 and  name HB#   )(resid   51 and  name HE*  ) 4.6 2.6 1.4
 assign (resid   13 and  name HB#   )(resid   51 and  name HD*  ) 4.5 2.7 2.5
 assign (resid   51 and  name HD*   )(resid   51 and  name HN   ) 4.0 2.2 1.5
 assign (resid   51 and  name HA    )(resid   51 and  name HN   ) 3.0 1.2 0.5
 assign (resid   49 and  name HN    )(resid   51 and  name HN   ) 3.5 1.7 0.5
 assign (resid   51 and  name HB#   )(resid   51 and  name HN   ) 3.0 1.2 1.0
 assign (resid   51 and  name HE#   )(resid   51 and  name HD#  ) 2.5 0.7 2.0
 assign (resid   51 and  name HA    )(resid   51 and  name HD#  ) 3.0 1.2 2.0
 assign (resid   51 and  name HB#   )(resid   51 and  name HD#  ) 3.0 1.2 2.0
 assign (resid   52 and  name HG#   )(resid   51 and  name HD#  ) 3.5 1.7 2.0
 assign (resid   52 and  name HB#   )(resid   51 and  name HD#  ) 4.0 2.2 2.0
 assign (resid   55 and  name HD#   )(resid   51 and  name HD#  ) 4.0 2.2 3.0
 assign (resid   13 and  name HG*   )(resid   51 and  name HD#  ) 4.0 2.2 3.0
 assign (resid   13 and  name HG*   )(resid   51 and  name HE#  ) 3.5 1.7 3.0
!assign (resid   16 and  name HG#   )(resid   51 and  name HE#  ) 4.5 2.7 2.0
 assign (resid   16 and  name HD#   )(resid   51 and  name HE#  ) 4.5 2.7 2.0
 assign (resid   51 and  name HB#   )(resid   51 and  name HE#  ) 3.0 1.2 2.0
 assign (resid   15 and  name HA    )(resid   51 and  name HE#  ) 4.8 3.0 2.0
 assign (resid   48 and  name HA    )(resid   51 and  name HD#  ) 4.0 2.2 2.0 
 assign (resid   48 and  name HB#   )(resid   51 and  name HD#  ) 4.0 2.2 2.0
 assign (resid   55 and  name HD*   )(resid   51 and  name HE#  ) 3.0 1.2 2.0
 assign (resid   15 and  name HA    )(resid   51 and  name HE#  ) 4.5 2.7 2.0
 

  

 
 
 
 
  
 

!D50
 assign (resid   49 and  name HN    )(resid   50 and  name HN   ) 2.5 0.7 0.5
 assign (resid   47 and  name HA    )(resid   50 and  name HN   ) 4.0 2.2 0.5
 assign (resid   47 and  name HA    )(resid   50 and  name HB#  ) 3.2 1.4 1.0
 assign (resid   50 and  name HB#   )(resid   50 and  name HN   ) 2.3 0.7 0.7 
 assign (resid   49 and  name HB#   )(resid   50 and  name HN   ) 3.7 1.7 1.7
 assign (resid   49 and  name HG#   )(resid   50 and  name HN   ) 3.0 1.2 0.5
 assign (resid   49 and  name HA    )(resid   50 and  name HN   ) 3.0 1.2 0.5
 assign (resid   50 and  name HA    )(resid   50 and  name HN   ) 2.5 0.7 0.5
 
 
 
 
 
!K49
 assign (resid   48 and  name HN    )(resid   49 and  name HN   ) 2.5 0.7 0.5
 assign (resid   46 and  name HA    )(resid   49 and  name HN   ) 3.0 1.2 0.5
 assign (resid   46 and  name HA    )(resid   49 and  name HB#  ) 3.5 1.7 1.0
 assign (resid   45 and  name HA    )(resid   49 and  name HN   ) 4.0 2.2 0.5
 assign (resid   49 and  name HB#   )(resid   49 and  name HN   ) 2.5 0.7 0.8
 assign (resid   49 and  name HG#   )(resid   49 and  name HN   ) 3.5 1.7 1.0
 assign (resid   49 and  name HB#   )(resid   49 and  name HN   ) 3.0 1.2 1.0
 assign (resid   48 and  name HA    )(resid   49 and  name HN   ) 3.5 1.7 0.5
 assign (resid   49 and  name HA    )(resid   49 and  name HN   ) 2.5 0.7 0.5
 
 
  
   
!A48
 assign (resid   47 and  name HN    )(resid   48 and  name HN   ) 2.5 0.7 0.5
 assign (resid   46 and  name HN    )(resid   48 and  name HN   ) 4.0 2.2 0.5
 assign (resid   45 and  name HA    )(resid   48 and  name HN   ) 3.5 1.7 0.5
 assign (resid   45 and  name HA    )(resid   48 and  name HB#  ) 3.2 1.4 1.0
 assign (resid   48 and  name HB#   )(resid   48 and  name HN   ) 3.0 1.2 1.0
 assign (resid   47 and  name HB#   )(resid   48 and  name HN   ) 3.0 1.2 1.0
 assign (resid   48 and  name HA    )(resid   48 and  name HN   ) 3.0 1.2 0.5
 
 
 
 
!V47
 assign (resid   46 and  name HN    )(resid   47 and  name HN   ) 2.5 0.7 0.5
 assign (resid   44 and  name HA    )(resid   47 and  name HN   ) 3.5 1.7 0.5
 assign (resid   44 and  name HA    )(resid   47 and  name HB   ) 3.5 1.7 0.5
 assign (resid   43 and  name HA    )(resid   47 and  name HN   ) 5.0 3.2 0.5
 assign (resid   47 and  name HB    )(resid   47 and  name HN   ) 2.4 0.6 0.7
 assign (resid   46 and  name HA    )(resid   47 and  name HN   ) 3.5 1.7 0.5
 assign (resid   47 and  name HA    )(resid   47 and  name HN   ) 3.0 1.2 0.5
 assign (resid   47 and  name HG*   )(resid   47 and  name HN   ) 3.5 1.7 1.5
 
 
 
 
  
!D46
 assign (resid   45 and  name HN    )(resid   46 and  name HN   ) 2.5 0.7 0.5
 assign (resid   43 and  name HB#   )(resid   46 and  name HN   ) 3.5 1.7 1.0
 assign (resid   46 and  name HA    )(resid   46 and  name HN   ) 2.5 0.7 0.5
 assign (resid   46 and  name HB#   )(resid   46 and  name HA   ) 3.0 1.2 1.0
 assign (resid   45 and  name HG#   )(resid   46 and  name HN   ) 3.5 1.7 1.0 

 
 
!E45
 assign (resid   44 and  name HN    )(resid   45 and  name HN   ) 2.5 0.7 0.5
 assign (resid   45 and  name HB#   )(resid   45 and  name HN   ) 2.6 0.8 0.9
 assign (resid   45 and  name HA    )(resid   45 and  name HN   ) 2.5 0.7 0.5
 
 
  
!A44
 assign (resid   43 and  name HN    )(resid   44 and  name HN   ) 3.5 1.7 0.5
 assign (resid   43 and  name HB#   )(resid   44 and  name HN   ) 4.1 2.1 1.9
 assign (resid   43 and  name HG*   )(resid   44 and  name HN   ) 3.5 1.7 1.5
 assign (resid   44 and  name HB*   )(resid   44 and  name HN   ) 3.0 1.2 1.0
 assign (resid   44 and  name HA    )(resid   44 and  name HN   ) 2.5 0.7 0.5
 assign (resid   43 and  name HA    )(resid   44 and  name HN   ) 3.5 1.7 0.5
 assign (resid   41 and  name HN    )(resid   44 and  name HN   ) 6.0 4.2 0.5
 
 
  
  
!V43
 assign (resid   42 and  name HN    )(resid   43 and  name HN   ) 3.5 1.7 0.5
 assign (resid   42 and  name HA    )(resid   43 and  name HN   ) 3.5 1.7 0.5
 assign (resid   43 and  name HB#   )(resid   43 and  name HN   ) 2.5 0.7 0.8
 assign (resid   43 and  name HG*   )(resid   43 and  name HN   ) 3.5 1.7 1.5
 assign (resid   42 and  name HB#   )(resid   43 and  name HN   ) 4.5 2.7 1.0
 assign (resid   43 and  name HA    )(resid   43 and  name HN   ) 3.0 1.2 0.5
 
 
  
 
!H42
 assign (resid   41 and  name HN    )(resid   42 and  name HN   ) 3.0 1.2 0.5
 assign (resid   41 and  name HA    )(resid   42 and  name HN   ) 3.5 1.7 0.5
 assign (resid   40 and  name HN    )(resid   42 and  name HN   ) 3.5 1.7 0.5
 assign (resid   39 and  name HN    )(resid   42 and  name HD2  ) 4.0 2.2 1.0
 assign (resid   41 and  name HB#   )(resid   42 and  name HN   ) 3.6 1.6 1.6
 assign (resid   41 and  name HG*   )(resid   42 and  name HN   ) 3.5 1.7 1.5
 assign (resid   42 and  name HB#   )(resid   42 and  name HN   ) 3.5 1.7 0.5
 assign (resid   42 and  name HA    )(resid   42 and  name HN   ) 3.0 1.2 0.5
 assign (resid   42 and  name HD#   )(resid   42 and  name HN   ) 4.0 2.2 1.0
 assign (resid   41 and  name HG*   )(resid   42 and  name HE#  ) 3.5 1.7 1.0
 assign (resid   41 and  name HB    )(resid   42 and  name HE#  ) 4.5 2.7 0.5
 assign (resid   42 and  name HA    )(resid   42 and  name HE#  ) 5.0 3.2 0.5
 assign (resid   42 and  name HD#   )(resid   42 and  name HE#  ) 4.0 2.2 1.0
 assign (resid   41 and  name HG*   )(resid   42 and  name HD#  ) 3.5 1.7 1.5
 assign (resid   38 and  name HB    )(resid   42 and  name HD#  ) 4.5 2.7 2.0
 assign (resid   39 and  name HN    )(resid   42 and  name HE#  ) 4.0 2.2 1.5
 
 
 
  
!V41
 assign (resid   40 and  name HN    )(resid   41 and  name HN   ) 3.0 1.2 0.5
 assign (resid   40 and  name HA#   )(resid   41 and  name HN   ) 3.5 1.7 1.0
 assign (resid   39 and  name HN    )(resid   41 and  name HN   ) 4.0 2.2 0.5
 assign (resid   39 and  name HA    )(resid   41 and  name HN   ) 4.0 2.2 0.5 
 assign (resid   41 and  name HB#   )(resid   41 and  name HN   ) 2.9 1.0 1.0
 assign (resid   41 and  name HA    )(resid   41 and  name HN   ) 2.5 0.7 0.5
 assign (resid   41 and  name HG*   )(resid   41 and  name HN   ) 3.5 1.7 1.5
 
!G40
 assign (resid   39 and  name HN    )(resid   40 and  name HN   ) 3.5 1.7 0.5
 assign (resid   39 and  name HA    )(resid   40 and  name HN   ) 3.5 1.7 0.5
 assign (resid   40 and  name HA#   )(resid   40 and  name HN   ) 2.5 0.7 1.0
 
   
!K39
 assign (resid   38 and  name HN    )(resid   39 and  name HN   ) 4.0 2.2 0.5
 assign (resid   38 and  name HA    )(resid   39 and  name HN   ) 3.0 1.2 0.5
 assign (resid   37 and  name HA    )(resid   39 and  name HN   ) 5.0 3.2 0.5
 assign (resid   38 and  name HG*   )(resid   39 and  name HN   ) 4.0 2.2 1.0
 assign (resid   38 and  name HB    )(resid   39 and  name HN   ) 3.5 1.7 0.5
 assign (resid   39 and  name HA    )(resid   39 and  name HN   ) 2.5 0.7 0.5
 
 
 
 
!V38
 assign (resid   37 and  name HN    )(resid   38 and  name HN   ) 3.5 1.7 0.5
 assign (resid   37 and  name HA    )(resid   38 and  name HN   ) 2.5 0.7 0.5
 assign (resid   36 and  name HN    )(resid   38 and  name HN   ) 6.0 4.2 0.5
 assign (resid   38 and  name HB#   )(resid   38 and  name HN   ) 3.1 1.2 1.2
 assign (resid   37 and  name HB#   )(resid   38 and  name HN   ) 3.8 1.8 1.8
 assign (resid   26 and  name HA    )(resid   38 and  name HN   ) 3.9 1.9 1.9
!assign (resid   18 and  name HN    )(resid   38 and  name HN   ) 5.0 3.2 0.5  
 assign (resid   28 and  name HA    )(resid   38 and  name HN   ) 5.5 3.7 0.5
 assign (resid   26 and  name HG#   )(resid   38 and  name HN   ) 5.3 3.5 1.0
 assign (resid   37 and  name HD*   )(resid   38 and  name HN   ) 4.0 2.2 2.0
 
  
  
 
!W37
 assign (resid   48 and  name HB#   )(resid   37 and  name HE1  ) 5.5 3.7 1.5
 assign (resid   36 and  name HN    )(resid   37 and  name HN   ) 4.0 2.2 0.5
 assign (resid   36 and  name HA    )(resid   37 and  name HN   ) 3.0 1.2 0.5 
 assign (resid   37 and  name HN    )(resid   37 and  name HE1  ) 5.0 3.2 2.0
 assign (resid   37 and  name HE1   )(resid   37 and  name HZ3  ) 4.0 2.2 2.0
 assign (resid   37 and  name HB#   )(resid   37 and  name HN   ) 3.0 1.2 1.0
 assign (resid   37 and  name HA    )(resid   37 and  name HN   ) 3.5 1.7 0.5
 assign (resid   37 and  name HA    )(resid   37 and  name HD#  ) 3.0 1.2 2.0
 assign (resid   25 and  name HA    )(resid   37 and  name HD#  ) 4.8 3.0 2.0
 assign (resid   16 and  name HA    )(resid   37 and  name HD#  ) 4.8 3.0 2.0
 assign (resid   16 and  name HE#   )(resid   37 and  name HD#  ) 3.5 1.7 2.0
 assign (resid   15 and  name HG#   )(resid   37 and  name HZ2  ) 4.0 2.2 2.0 
 assign (resid   15 and  name HB#   )(resid   37 and  name HZ2  ) 4.5 2.7 2.0 
 assign (resid   24 and  name HB#   )(resid   37 and  name HN   ) 4.0 2.2 1.0 
 assign (resid   15 and  name HB#   )(resid   37 and  name HH2  ) 3.5 1.7 2.0 
 assign (resid   15 and  name HG#   )(resid   37 and  name HH2  ) 3.5 1.7 2.0
 assign (resid   17 and  name HA    )(resid   37 and  name HH2  ) 4.5 2.7 2.0
 assign (resid   43 and  name HB#   )(resid   37 and  name HD#  ) 4.0 2.2 2.0 



 
 


 
  
!E36
 assign (resid   19 and  name HN    )(resid   36 and  name HN   ) 4.0 2.2 0.5
 assign (resid   35 and  name HA    )(resid   36 and  name HN   ) 3.0 1.2 0.5
 assign (resid   29 and  name HA    )(resid   36 and  name HN   ) 4.5 2.7 0.5
 assign (resid   36 and  name HG#   )(resid   36 and  name HN   ) 3.5 1.7 1.0
 assign (resid   36 and  name HB#   )(resid   36 and  name HN   ) 3.5 1.7 1.0
 assign (resid   36 and  name HA    )(resid   36 and  name HN   ) 3.0 1.7 0.5
 assign (resid   35 and  name HB#   )(resid   36 and  name HN   ) 3.5 1.7 0.5 
 
!C35
 assign (resid   34 and  name HA    )(resid   35 and  name HN   ) 3.0 1.2 0.5
 assign (resid   35 and  name HB#   )(resid   35 and  name HN   ) 3.5 1.7 1.0
 assign (resid   35 and  name HB#   )(resid   35 and  name HA   ) 3.5 1.7 0.5  
 
!D34
 assign (resid   33 and  name HA#   )(resid   34 and  name HN   ) 3.5 1.7 1.0
 assign (resid   34 and  name HA    )(resid   34 and  name HN   ) 2.0 0.2 0.5
  
!G33
 assign (resid   32 and  name HN    )(resid   33 and  name HN   ) 5.0 3.2 0.5
 assign (resid   32 and  name HA    )(resid   33 and  name HN   ) 3.5 1.7 0.5
 assign (resid   33 and  name HA#   )(resid   33 and  name HN   ) 3.0 1.2 1.0
 
 
 
!G32
 assign (resid   31 and  name HA    )(resid   32 and  name HN   ) 3.5 1.7 0.5
 assign (resid   31 and  name HB#   )(resid   32 and  name HN   ) 4.5 2.7 0.5
 assign (resid   32 and  name HA#   )(resid   32 and  name HN   ) 3.0 1.2 1.0
 
 
 
!D31
 assign (resid   30 and  name HN    )(resid   31 and  name HN   ) 3.0 1.2 0.5
 assign (resid   30 and  name HA    )(resid   31 and  name HN   ) 3.5 1.7 0.5
 assign (resid   31 and  name HB#   )(resid   31 and  name HN   ) 3.5 1.7 1.0
 assign (resid   31 and  name HA    )(resid   31 and  name HN   ) 2.5 0.7 0.5
 
 
 
 
!K30
 assign (resid   29 and  name HN    )(resid   30 and  name HN   ) 3.0 1.2 0.5
 assign (resid   29 and  name HA    )(resid   30 and  name HN   ) 3.5 1.7 0.5
 assign (resid   28 and  name HB#   )(resid   30 and  name HN   ) 4.3 2.3 1.7
 assign (resid   30 and  name HA    )(resid   30 and  name HN   ) 3.0 1.2 0.5
 assign (resid   28 and  name HA    )(resid   30 and  name HN   ) 5.0 3.2 0.5
 
 
 
  
 
!W29
 assign (resid   36 and  name HB#   )(resid   29 and  name HE1  ) 4.0 2.2 1.0
 assign (resid   36 and  name HG#   )(resid   29 and  name HE1  ) 3.8 2.0 1.0
 assign (resid   27 and  name HN    )(resid   29 and  name HN   ) 5.5 3.7 0.5
 assign (resid   29 and  name HD1   )(resid   29 and  name HE1  ) 2.9 1.1 1.1
 assign (resid   36 and  name HG#   )(resid   29 and  name HD*  ) 3.9 1.9 1.9
 assign (resid   36 and  name HB#   )(resid   29 and  name HE*  ) 3.7 1.7 1.7
 assign (resid   36 and  name HB#   )(resid   29 and  name HD*  ) 4.0 2.0 2.0
 assign (resid   28 and  name HB#   )(resid   29 and  name HN   ) 5.0 3.1 1.0
 assign (resid   29 and  name HE1   )(resid   29 and  name HZ2  ) 3.0 1.2 1.0  
 assign (resid   29 and  name HE1   )(resid   29 and  name HD1  ) 2.5 0.7 1.0 
 assign (resid   11 and  name HA    )(resid   29 and  name HE1  ) 5.5 3.7 1.0
 assign (resid   36 and  name HB#   )(resid   29 and  name HE1  ) 3.0 1.2 1.0
 assign (resid   36 and  name HG#   )(resid   29 and  name HE1  ) 4.0 2.2 1.0  
 assign (resid   28 and  name HG#   )(resid   29 and  name HE1  ) 4.5 2.7 2.0
 assign (resid   29 and  name HA    )(resid   29 and  name HN   ) 3.0 1.2 0.5
 assign (resid   29 and  name HB#   )(resid   29 and  name HN   ) 3.5 1.7 1.0
 assign (resid   28 and  name HA    )(resid   29 and  name HD#  ) 3.0 1.2 0.5
 
 
 
 
!R28

 assign (resid   27 and  name HN    )(resid   28 and  name HN   ) 4.0 2.2 0.5
 assign (resid   27 and  name HA    )(resid   28 and  name HN   ) 3.5 1.7 0.5
 assign (resid   28 and  name HB#   )(resid   28 and  name HN   ) 3.6 1.7 1.7
 assign (resid   27 and  name HB#   )(resid   28 and  name HN   ) 4.5 2.7 1.0
 assign (resid   28 and  name HA    )(resid   28 and  name HN   ) 3.0 1.2 0.5
 assign (resid    9 and  name HB#   )(resid   28 and  name NE   ) 5.0 3.2 0.5
 assign (resid    9 and  name HG#   )(resid   28 and  name NE   ) 4.0 2.2 0.5
 assign (resid   28 and  name HB#   )(resid   28 and  name NE   ) 4.5 2.7 1.0


 
  
  
 
!V27
 assign (resid   26 and  name HN    )(resid   27 and  name HN   ) 3.0 1.2 0.5
 assign (resid   26 and  name HA    )(resid   27 and  name HN   ) 3.5 1.7 0.5
 assign (resid   17 and  name HN    )(resid   27 and  name HN   ) 5.5 3.7 0.5
 assign (resid   25 and  name HB#   )(resid   27 and  name HN   ) 5.1 3.3 0.9
 assign (resid   27 and  name HB#   )(resid   27 and  name HN   ) 3.1 1.2 1.2
 assign (resid   27 and  name HG*   )(resid   27 and  name HN   ) 3.5 1.7 1.0
 assign (resid   27 and  name HA    )(resid   27 and  name HN   ) 2.5 0.7 0.5
 
 
  
!L26
 assign (resid   17 and  name HA    )(resid   26 and  name HN   ) 4.0 2.2 0.5
 assign (resid   16 and  name HA    )(resid   26 and  name HN   ) 5.3 3.5 0.5
 assign (resid   25 and  name HN    )(resid   26 and  name HN   ) 4.0 2.2 0.5
 assign (resid   25 and  name HB#   )(resid   26 and  name HN   ) 3.2 1.3 1.3
 assign (resid   26 and  name HD*   )(resid   26 and  name HN   ) 3.5 1.7 1.5
 assign (resid   26 and  name HG    )(resid   26 and  name HN   ) 4.5 2.7 0.5
 assign (resid   26 and  name HB#   )(resid   26 and  name HN   ) 3.0 1.2 1.0
 assign (resid   26 and  name HA    )(resid   26 and  name HN   ) 2.5 0.7 0.5
 assign (resid   25 and  name HA    )(resid   26 and  name HN   ) 3.0 1.2 0.5
 
 
 
 
!Y25
 assign (resid   24 and  name HN    )(resid   25 and  name HN   ) 4.0 2.2 0.5
 assign (resid   24 and  name HA    )(resid   25 and  name HN   ) 4.0 2.2 0.5
 assign (resid   25 and  name HB#   )(resid   25 and  name HN   ) 3.7 1.7 1.7
 assign (resid   25 and  name HB#   )(resid   25 and  name HD*  ) 4.0 2.0 2.0
 assign (resid   24 and  name HG#   )(resid   25 and  name HN   ) 4.9 3.0 1.9
 assign (resid   17 and  name HB#   )(resid   25 and  name HN   ) 5.0 3.2 1.0
 assign (resid   17 and  name HN    )(resid   25 and  name HE*  ) 4.0 2.2 2.0
 assign (resid   17 and  name HN    )(resid   25 and  name HD*  ) 3.5 1.7 2.0
 assign (resid   17 and  name HA    )(resid   25 and  name HE*  ) 4.0 2.2 2.0
 assign (resid   17 and  name HA    )(resid   25 and  name HD*  ) 3.5 1.7 2.0
 assign (resid   37 and  name HA    )(resid   25 and  name HN   ) 4.0 2.2 1.0
 assign (resid   25 and  name HA    )(resid   25 and  name HN   ) 2.5 0.7 0.5
 assign (resid   25 and  name HD*   )(resid   25 and  name HN   ) 4.5 2.7 2.0
 assign (resid   25 and  name HE*   )(resid   25 and  name HN   ) 4.5 2.7 2.0
 assign (resid   13 and  name HG#   )(resid   25 and  name HD*  ) 4.8 3.0 2.0
 assign (resid   13 and  name HG#   )(resid   25 and  name HE*  ) 4.5 2.7 2.0
 assign (resid   23 and  name HG#   )(resid   25 and  name HD*  ) 4.0 2.2 2.5
 assign (resid   23 and  name HG#   )(resid   25 and  name HE*  ) 4.0 2.2 2.5
 assign (resid   13 and  name HB#   )(resid   25 and  name HE*  ) 4.0 2.2 2.0
 assign (resid   16 and  name HG#   )(resid   25 and  name HD*  ) 4.0 2.2 2.0
 assign (resid   16 and  name HG#   )(resid   25 and  name HE*  ) 4.5 2.7 2.0
 assign (resid   16 and  name HD#   )(resid   25 and  name HE*  ) 4.5 2.7 2.0
 assign (resid   16 and  name HD#   )(resid   25 and  name HD*  ) 4.5 2.7 2.0
 assign (resid   16 and  name HB#   )(resid   25 and  name HD*  ) 3.0 1.2 2.0
 assign (resid   16 and  name HA    )(resid   25 and  name HE*  ) 3.5 1.7 2.0
 assign (resid   16 and  name HA    )(resid   25 and  name HD*  ) 3.5 1.7 2.0
 assign (resid   40 and  name HA    )(resid   25 and  name HD*  ) 2.5 0.7 2.0
 assign (resid   40 and  name HA    )(resid   25 and  name HE*  ) 3.0 1.2 2.0
 assign (resid   39 and  name HA    )(resid   25 and  name HN   ) 4.0 2.2 1.5
 assign (resid   38 and  name HN    )(resid   25 and  name HN   ) 4.0 2.2 1.5
 assign (resid   26 and  name HG    )(resid   25 and  name HN   ) 5.0 3.2 0.5
 assign (resid   26 and  name HB    )(resid   25 and  name HN   ) 4.0 2.2 0.5
 assign (resid   17 and  name HB#   )(resid   25 and  name HE*  ) 4.5 2.7 2.0 
 assign (resid   43 and  name HB#   )(resid   25 and  name HD*  ) 4.0 2.2 2.0
 assign (resid   43 and  name HB#   )(resid   25 and  name HE*  ) 3.5 1.7 2.0 
 assign (resid   43 and  name HG#   )(resid   25 and  name HD*  ) 3.5 1.7 2.0 
 assign (resid   43 and  name HG#   )(resid   25 and  name HE*  ) 3.5 1.7 2.0 
 assign (resid   13 and  name HB#   )(resid   25 and  name HD*  ) 5.0 3.2 2.0
 



 
  

!E24
 assign (resid   23 and  name HN    )(resid   24 and  name HN   ) 4.0 2.2 0.5
 assign (resid   23 and  name HA    )(resid   24 and  name HN   ) 2.5 0.7 0.5
 assign (resid   24 and  name HG#   )(resid   24 and  name HN   ) 3.7 1.7 1.7
 assign (resid   23 and  name HG*   )(resid   24 and  name HN   ) 3.5 1.7 1.0
 assign (resid   24 and  name HB#   )(resid   24 and  name HN   ) 3.0 1.2 1.0
 assign (resid   23 and  name HB#   )(resid   24 and  name HN   ) 3.5 1.7 1.0
 assign (resid   24 and  name HA    )(resid   24 and  name HN   ) 2.5 0.7 0.5
 
 
 !V23
 assign (resid   22 and  name HN    )(resid   23 and  name HN   ) 3.0 1.2 0.5
 assign (resid   22 and  name HA    )(resid   23 and  name HN   ) 2.5 0.7 0.5
 assign (resid   23 and  name HB#   )(resid   23 and  name HN   ) 3.0 1.1 1.1
 assign (resid   19 and  name HN    )(resid   23 and  name HN   ) 5.0 3.2 0.5
 assign (resid   23 and  name HG*   )(resid   23 and  name HN   ) 3.5 1.7 1.5
 assign (resid   23 and  name HA    )(resid   23 and  name HN   ) 2.5 0.7 0.5
 assign (resid   22 and  name HB#   )(resid   23 and  name HN   ) 3.5 1.7 1.0
!assign (resid   13 and  name HB    )(resid   23 and  name HB   ) 4.0 2.2 0.5
 
 !D22
 assign (resid   21 and  name HN    )(resid   22 and  name HN   ) 3.0 1.2 0.5 
 assign (resid   21 and  name HA    )(resid   22 and  name HN   ) 3.5 1.7 0.5
 assign (resid   20 and  name HA    )(resid   22 and  name HN   ) 4.0 2.2 0.5
 assign (resid   22 and  name HB#   )(resid   22 and  name HN   ) 3.5 1.7 1.0
 assign (resid   22 and  name HA    )(resid   22 and  name HN   ) 2.5 0.7 0.5
 
 

!K21
 assign (resid   20 and  name HN    )(resid   21 and  name HN   ) 3.0 1.2 0.5
 assign (resid   20 and  name HA    )(resid   21 and  name HN   ) 3.5 1.7 0.5
 assign (resid   19 and  name HN    )(resid   21 and  name HN   ) 4.0 2.2 0.5
 assign (resid   19 and  name HA    )(resid   21 and  name HN   ) 4.0 2.2 0.5
 assign (resid   21 and  name HA    )(resid   21 and  name HN   ) 3.0 1.2 0.5
 
!G20
 assign (resid   19 and  name HA    )(resid   20 and  name HN   ) 3.5 1.7 0.5
 assign (resid   20 and  name HA#   )(resid   20 and  name HN   ) 3.0 1.2 1.0
 
!K19
 assign (resid   18 and  name HN    )(resid   19 and  name HN   ) 3.0 1.2 0.5
 assign (resid   18 and  name HA    )(resid   19 and  name HN   ) 3.5 1.7 0.5
 assign (resid   19 and  name HB#   )(resid   19 and  name HN   ) 3.3 1.3 1.3
 assign (resid   21 and  name HB#   )(resid   19 and  name HN   ) 4.0 2.2 1.0
 assign (resid   19 and  name HB#   )(resid   19 and  name HN   ) 3.5 1.7 1.0
 assign (resid   22 and  name HB#   )(resid   19 and  name HN   ) 4.5 2.7 1.0
 assign (resid   19 and  name HA    )(resid   19 and  name HN   ) 3.0 1.2 0.5
   
 
!G18
 assign (resid   17 and  name HN    )(resid   18 and  name HN   ) 4.0 2.2 0.5
 assign (resid   17 and  name HA    )(resid   18 and  name HN   ) 2.5 0.7 0.5
 assign (resid   17 and  name HB#   )(resid   18 and  name HN   ) 3.5 1.7 1.0
 assign (resid   18 and  name HA#   )(resid   18 and  name HN   ) 3.0 1.2 1.0
 
 

!R17
 assign (resid   16 and  name HA    )(resid   17 and  name HN   ) 2.5 0.7 0.5
 assign (resid   16 and  name HN    )(resid   17 and  name HN   ) 4.5 2.7 0.5
 assign (resid   16 and  name HB#   )(resid   17 and  name HN   ) 3.7 1.7 1.7
 assign (resid   16 and  name HG#   )(resid   17 and  name HN   ) 4.0 2.0 1.0
 assign (resid   17 and  name HB#   )(resid   17 and  name HN   ) 3.5 1.7 1.0
 assign (resid   17 and  name HA    )(resid   17 and  name HN   ) 2.5 0.7 0.5
 assign (resid   25 and  name HD*   )(resid   17 and  name HN   ) 3.5 1.7 2.0
 assign (resid   23 and  name HA    )(resid   17 and  name HN   ) 4.8 3.0 1.5
 assign (resid   17 and  name HG#   )(resid   17 and  name HN   ) 3.5 1.7 0.5
 assign (resid   17 and  name HD*   )(resid   17 and  name HN   ) 4.0 2.2 0.5
 assign (resid   23 and  name HB    )(resid   17 and  name HN   ) 4.3 2.5 0.5
 assign (resid   25 and  name HA    )(resid   17 and  name HN   ) 4.0 2.2 0.5
 
 
  
!K16
 assign (resid   15 and  name HA    )(resid   16 and  name HN   ) 2.5 0.7 0.5
 assign (resid   15 and  name HN    )(resid   16 and  name HN   ) 4.0 2.2 0.5
 assign (resid   16 and  name HG#   )(resid   16 and  name HN   ) 5.0 3.2 1.0
 assign (resid   16 and  name HD#   )(resid   16 and  name HN   ) 5.0 3.2 1.0
 assign (resid   16 and  name HB#   )(resid   16 and  name HN   ) 3.5 1.7 1.0
 assign (resid   15 and  name HB#   )(resid   16 and  name HN   ) 3.5 1.7 1.0
 assign (resid   15 and  name HG#   )(resid   16 and  name HN   ) 4.0 2.2 1.0
 assign (resid   25 and  name HA    )(resid   16 and  name HN   ) 6.0 4.2 0.5
 assign (resid   25 and  name HA    )(resid   16 and  name HA   ) 4.0 2.2 0.5
 assign (resid   16 and  name HA    )(resid   16 and  name HN   ) 3.5 1.7 0.5
 assign (resid   16 and  name HG#   )(resid   16 and  name HA   ) 4.5 2.7 1.0
 assign (resid   16 and  name HD#   )(resid   16 and  name HA   ) 4.0 2.2 1.0
 assign (resid   16 and  name HB#   )(resid   16 and  name HA   ) 4.0 2.2 1.0
 
  
!E15
 assign (resid   14 and  name HN    )(resid   15 and  name HN   ) 3.0 1.2 0.5
 assign (resid   14 and  name HA    )(resid   15 and  name HN   ) 3.5 1.7 0.5
 assign (resid   15 and  name HG#   )(resid   15 and  name HN   ) 3.1 1.2 1.2
 assign (resid   14 and  name HB#   )(resid   15 and  name HD*  ) 3.3 1.4 1.4
 assign (resid   13 and  name HB#   )(resid   15 and  name HN   ) 3.5 1.7 1.0
 assign (resid   14 and  name HB    )(resid   15 and  name HN   ) 3.5 1.7 0.5
 assign (resid   14 and  name HG*   )(resid   15 and  name HN   ) 3.5 1.7 1.5
 assign (resid   15 and  name HA    )(resid   15 and  name HN   ) 3.0 1.2 0.5
 assign (resid   15 and  name HB#   )(resid   15 and  name HN   ) 3.0 1.2 1.0
 assign (resid   15 and  name HG#   )(resid   15 and  name HN   ) 3.5 1.7 1.0
   
 
!V14
 assign (resid   13 and  name HN    )(resid   14 and  name HN   ) 4.0 2.2 0.5
 assign (resid   13 and  name HA    )(resid   14 and  name HN   ) 2.5 1.7 0.5
 assign (resid   14 and  name HB#   )(resid   14 and  name HN   ) 3.0 1.2 1.3
 assign (resid   14 and  name HG*   )(resid   14 and  name HN   ) 3.5 1.7 1.5
 assign (resid   14 and  name HA    )(resid   14 and  name HN   ) 3.0 1.2 0.5
 assign (resid   13 and  name HD    )(resid   14 and  name HN   ) 3.5 1.7 0.5
 
  

!I13
 assign (resid   12 and  name HA    )(resid   13 and  name HN   ) 2.5 0.7 0.5
 assign (resid   12 and  name HN    )(resid   13 and  name HN   ) 4.0 2.2 0.5
 assign (resid   12 and  name HG#   )(resid   13 and  name HN   ) 2.3 2.3 3.7
 assign (resid   13 and  name HB    )(resid   13 and  name HN   ) 3.0 1.2 1.0
 assign (resid   13 and  name HG*   )(resid   13 and  name HN   ) 3.5 1.7 1.5
 assign (resid   13 and  name HD#   )(resid   13 and  name HN   ) 4.0 2.2 1.0
 assign (resid   13 and  name HA    )(resid   13 and  name HN   ) 3.0 1.2 0.5
   
 
!E12
 assign (resid   11 and  name HA    )(resid   12 and  name HN   ) 3.5 1.7 0.5
 assign (resid   11 and  name HN    )(resid   12 and  name HN   ) 3.0 1.2 0.5
 assign (resid    9 and  name HB#   )(resid   12 and  name HN   ) 3.6 1.6 1.6
 assign (resid   11 and  name HB#   )(resid   12 and  name HN   ) 3.9 1.9 1.9
 assign (resid   12 and  name HA    )(resid   12 and  name HN   ) 3.0 1.2 0.5
 assign (resid   12 and  name HB#   )(resid   12 and  name HN   ) 3.5 1.7 1.0
 assign (resid   12 and  name HG#   )(resid   12 and  name HN   ) 4.0 2.2 1.0
 
 
  

!D11
 assign (resid   10 and  name HA    )(resid   11 and  name HN   ) 2.5 0.7 0.5
 assign (resid   10 and  name HN    )(resid   11 and  name HN   ) 3.0 1.2 0.5
 assign (resid   11 and  name HB#   )(resid   11 and  name HN   ) 3.3 1.4 1.4
 assign (resid   10 and  name HB#   )(resid   11 and  name HN   ) 4.0 2.0 2.0
 assign (resid   10 and  name HG*   )(resid   11 and  name HN   ) 3.5 1.7 1.5
 assign (resid   10 and  name HB    )(resid   11 and  name HN   ) 3.0 1.2 1.0
 assign (resid   11 and  name HA    )(resid   11 and  name HN   ) 2.5 0.7 0.5
 assign (resid   28 and  name HB#   )(resid   11 and  name HN   ) 5.0 3.2 0.5
   
  
!V10
 assign (resid    9 and  name HN    )(resid   10 and  name HN   ) 3.5 1.7 0.5
 assign (resid    9 and  name HA    )(resid   10 and  name HN   ) 3.5 1.7 0.5  
 assign (resid    9 and  name HB#   )(resid   10 and  name HN   ) 3.9 1.9 1.9
 assign (resid   11 and  name HB#   )(resid   10 and  name HN   ) 6.0 4.0 0.5
 assign (resid   10 and  name HB#   )(resid   10 and  name HN   ) 3.0 1.1 1.1
 assign (resid   10 and  name HG*   )(resid   10 and  name HN   ) 4.0 2.2 1.5
 assign (resid   10 and  name HA    )(resid   10 and  name HN   ) 3.3 1.2 0.5
 assign (resid   10 and  name HB#   )(resid   10 and  name HA   ) 3.0 1.2 0.5
 assign (resid   10 and  name HG*   )(resid   10 and  name HA   ) 3.5 1.7 0.5
 
 
   
  
!E9
 assign (resid    8 and  name HN    )(resid    9 and  name HN   ) 3.0 1.2 0.5
 assign (resid    8 and  name HA    )(resid    9 and  name HN   ) 3.5 1.7 0.5  
 assign (resid    9 and  name HG#   )(resid    9 and  name HN   ) 3.1 1.2 1.2  
 assign (resid    9 and  name HB#   )(resid    9 and  name HN   ) 3.3 1.4 1.4
 assign (resid    9 and  name HA    )(resid    9 and  name HN   ) 3.0 1.2 0.5
 assign (resid   12 and  name HN    )(resid    9 and  name HN   ) 4.0 2.2 0.5
 assign (resid    8 and  name HB#   )(resid    9 and  name HN   ) 3.5 1.7 1.0 

 
 
   
!A8
 assign (resid    7 and  name HA    )(resid    8 and  name HN   ) 3.5 1.7 0.5  
 assign (resid    7 and  name HN    )(resid    8 and  name HN   ) 3.5 1.7 0.5
 assign (resid    9 and  name HB#   )(resid    8 and  name HN   ) 5.2 3.3 0.8
 assign (resid    7 and  name HB#   )(resid    8 and  name HN   ) 3.5 1.7 0.5
 assign (resid    8 and  name HB    )(resid    8 and  name HN   ) 3.5 1.7 0.5
 assign (resid    8 and  name HA    )(resid    8 and  name HN   ) 3.0 1.2 0.5
 assign (resid    7 and  name HA    )(resid    8 and  name HN   ) 3.0 1.2 0.5
  

!Y7
 assign (resid    9 and  name HG#   )(resid    7 and  name HD*  ) 3.4 1.5 1.5
 assign (resid   52 and  name HB#   )(resid    7 and  name HE*  ) 3.5 1.7 1.0
 assign (resid    7 and  name HA    )(resid    7 and  name HN   ) 3.0 1.2 0.5
 assign (resid    7 and  name HB#   )(resid    7 and  name HN   ) 3.5 1.7 1.0
 assign (resid    7 and  name HD*   )(resid    7 and  name HN   ) 4.0 2.2 2.0
 assign (resid    7 and  name HA    )(resid    7 and  name HD*  ) 3.0 1.2 2.0
 assign (resid    4 and  name HA    )(resid    7 and  name HD*  ) 4.5 2.2 2.0
 assign (resid    7 and  name HB#   )(resid    7 and  name HD*  ) 3.0 1.2 2.0
 assign (resid    9 and  name HB#   )(resid    7 and  name HN   ) 5.0 3.2 1.5
 assign (resid    9 and  name HG#   )(resid    7 and  name HN   ) 5.0 3.2 1.5
    
 
!F5
 assign (resid    4 and  name HN    )(resid    5 and  name HN   ) 3.0 1.2 0.5
 assign (resid    4 and  name HA    )(resid    5 and  name HN   ) 3.5 1.7 0.5  
 assign (resid    5 and  name HA    )(resid    5 and  name HN   ) 2.5 0.7 0.5
 

!V4
 assign (resid    4 and  name HB#   )(resid    4 and  name HN   ) 3.3 1.4 1.4
 assign (resid    4 and  name HA    )(resid    4 and  name HN   ) 3.0 1.7 0.5
 assign (resid    4 and  name HG*   )(resid    4 and  name HN   ) 3.5 1.7 1.5

!G1
 assign (resid    1 and  name HA#   )(resid    1 and  name HN   ) 3.0 1.2 1.0
 
 
 



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1 -18.582  13.425   9.967
    2   2H    GLY   1          2HT       GLY   1 -17.831  12.231  10.897
    3   3H    GLY   1          3HT       GLY   1 -19.283  11.891  10.100
    4   1HA   GLY   1          1HA       GLY   1 -18.142  12.280   7.949
    5   2HA   GLY   1          2HA       GLY   1 -16.642  12.409   8.854
    6    H    SER   2           H        SER   2 -17.919  10.433   6.840
    7    HA   SER   2           HA       SER   2 -16.548   8.146   7.698
    8   1HB   SER   2          2HB       SER   2 -18.366   6.647   8.304
    9   2HB   SER   2          1HB       SER   2 -18.414   8.059   9.355
   10    HG   SER   2           HG       SER   2 -20.290   7.147   7.648
   11    H    GLN   3           H        GLN   3 -18.425   6.221   6.450
   12    HA   GLN   3           HA       GLN   3 -17.578   6.377   3.813
   13   1HB   GLN   3          2HB       GLN   3 -20.034   4.998   4.918
   14   2HB   GLN   3          1HB       GLN   3 -19.320   4.680   3.343
   15   1HG   GLN   3          2HG       GLN   3 -17.280   3.893   4.412
   16   2HG   GLN   3          1HG       GLN   3 -17.970   4.243   5.997
   17   1HE2  GLN   3          1HE2      GLN   3 -17.326   1.832   3.923
   18   2HE2  GLN   3          2HE2      GLN   3 -18.546   0.696   4.380
   19    H    VAL   4           H        VAL   4 -18.083   7.813   2.277
   20    HA   VAL   4           HA       VAL   4 -20.296   9.576   2.554
   21    HB   VAL   4           HB       VAL   4 -18.410   9.128   0.225
   22   1HG1  VAL   4          1HG1      VAL   4 -19.403  11.648  -0.087
   23   2HG1  VAL   4          2HG1      VAL   4 -20.832  10.780   0.472
   24   3HG1  VAL   4          3HG1      VAL   4 -19.975  10.232  -0.967
   25   1HG2  VAL   4          1HG2      VAL   4 -17.351   9.971   2.240
   26   2HG2  VAL   4          2HG2      VAL   4 -18.554  11.253   2.363
   27   3HG2  VAL   4          3HG2      VAL   4 -17.425  11.234   1.013
   28    H    PHE   5           H        PHE   5 -19.635   7.645  -0.358
   29    HA   PHE   5           HA       PHE   5 -22.353   7.607  -1.097
   30   1HB   PHE   5          2HB       PHE   5 -20.117   7.390  -2.490
   31   2HB   PHE   5          1HB       PHE   5 -20.347   5.669  -2.195
   32    HD1  PHE   5           1HD      PHE   5 -22.813   8.366  -2.918
   33    HD2  PHE   5           2HD      PHE   5 -21.012   4.727  -4.192
   34    HE1  PHE   5           1HE      PHE   5 -24.386   8.254  -4.807
   35    HE2  PHE   5           2HE      PHE   5 -22.580   4.609  -6.084
   36    HZ   PHE   5           HZ       PHE   5 -24.270   6.374  -6.394
   37    H    GLU   6           H        GLU   6 -22.205   4.715  -1.947
   38    HA   GLU   6           HA       GLU   6 -23.480   3.570   0.330
   39   1HB   GLU   6          2HB       GLU   6 -22.606   2.580  -2.362
   40   2HB   GLU   6          1HB       GLU   6 -23.358   1.508  -1.185
   41   1HG   GLU   6          2HG       GLU   6 -25.349   2.944  -1.179
   42   2HG   GLU   6          1HG       GLU   6 -24.586   3.985  -2.378
   43    H    TYR   7           H        TYR   7 -20.521   2.978  -1.483
   44    HA   TYR   7           HA       TYR   7 -18.520   2.187  -0.963
   45   1HB   TYR   7          2HB       TYR   7 -19.369   3.452   1.415
   46   2HB   TYR   7          1HB       TYR   7 -18.556   1.961   1.877
   47    HD1  TYR   7           1HD      TYR   7 -16.687   2.079  -0.696
   48    HD2  TYR   7           2HD      TYR   7 -17.628   4.826   2.420
   49    HE1  TYR   7           1HE      TYR   7 -14.516   3.174  -1.003
   50    HE2  TYR   7           2HE      TYR   7 -15.455   5.922   2.105
   51    HH   TYR   7           HH       TYR   7 -12.943   4.585   0.485
   52    H    ALA   8           H        ALA   8 -20.369   0.317  -1.639
   53    HA   ALA   8           HA       ALA   8 -19.652  -1.973   0.065
   54   1HB   ALA   8          1HB       ALA   8 -22.211  -1.416  -1.424
   55   2HB   ALA   8          2HB       ALA   8 -21.997  -1.710   0.300
   56   3HB   ALA   8          3HB       ALA   8 -21.772  -3.025  -0.852
   57    H    GLU   9           H        GLU   9 -17.861  -1.247  -1.780
   58    HA   GLU   9           HA       GLU   9 -18.154  -2.015  -4.384
   59   1HB   GLU   9          2HB       GLU   9 -15.549  -2.728  -3.239
   60   2HB   GLU   9          1HB       GLU   9 -15.945  -1.692  -4.579
   61   1HG   GLU   9          2HG       GLU   9 -15.926  -1.015  -1.713
   62   2HG   GLU   9          1HG       GLU   9 -14.831  -0.448  -2.944
   63    H    VAL  10           H        VAL  10 -17.198  -3.847  -1.559
   64    HA   VAL  10           HA       VAL  10 -16.836  -6.066  -1.184
   65    HB   VAL  10           HB       VAL  10 -19.284  -5.812  -1.386
   66   1HG1  VAL  10          1HG1      VAL  10 -18.764  -6.680  -4.195
   67   2HG1  VAL  10          2HG1      VAL  10 -19.772  -5.363  -3.600
   68   3HG1  VAL  10          3HG1      VAL  10 -20.300  -7.034  -3.408
   69   1HG2  VAL  10          1HG2      VAL  10 -18.859  -8.563  -2.318
   70   2HG2  VAL  10          2HG2      VAL  10 -19.553  -7.973  -0.807
   71   3HG2  VAL  10          3HG2      VAL  10 -17.803  -8.045  -1.005
   72    H    ASP  11           H        ASP  11 -15.331  -4.953  -3.189
   73    HA   ASP  11           HA       ASP  11 -13.919  -6.944  -4.331
   74   1HB   ASP  11          2HB       ASP  11 -15.803  -7.824  -5.520
   75   2HB   ASP  11          1HB       ASP  11 -16.226  -6.232  -6.139
   76    H    GLU  12           H        GLU  12 -15.129  -3.669  -4.787
   77    HA   GLU  12           HA       GLU  12 -12.686  -3.025  -6.343
   78   1HB   GLU  12          2HB       GLU  12 -15.281  -1.518  -6.383
   79   2HB   GLU  12          1HB       GLU  12 -13.903  -1.281  -7.451
   80   1HG   GLU  12          2HG       GLU  12 -14.255  -3.527  -8.380
   81   2HG   GLU  12          1HG       GLU  12 -15.665  -3.720  -7.339
   82    H    ILE  13           H        ILE  13 -11.637  -2.684  -4.197
   83    HA   ILE  13           HA       ILE  13 -11.085  -1.523  -2.326
   84    HB   ILE  13           HB       ILE  13 -10.161   0.718  -2.941
   85   1HG1  ILE  13          2HG1      ILE  13 -11.279   0.022  -5.663
   86   2HG1  ILE  13          1HG1      ILE  13 -11.871   1.306  -4.616
   87   1HG2  ILE  13          1HG2      ILE  13  -8.363  -0.196  -4.068
   88   2HG2  ILE  13          2HG2      ILE  13  -9.383  -1.247  -5.052
   89   3HG2  ILE  13          3HG2      ILE  13  -9.111  -1.620  -3.352
   90   1HD1  ILE  13          1HD1      ILE  13  -9.066   1.188  -5.670
   91   2HD1  ILE  13          2HD1      ILE  13  -9.860   2.532  -4.850
   92   3HD1  ILE  13          3HD1      ILE  13 -10.384   2.051  -6.463
   93    H    VAL  14           H        VAL  14 -11.941  -0.671  -0.602
   94    HA   VAL  14           HA       VAL  14 -14.023   1.370  -0.828
   95    HB   VAL  14           HB       VAL  14 -14.052  -1.109   0.641
   96   1HG1  VAL  14          1HG1      VAL  14 -13.159   0.195   2.554
   97   2HG1  VAL  14          2HG1      VAL  14 -14.802  -0.384   2.835
   98   3HG1  VAL  14          3HG1      VAL  14 -14.524   1.303   2.404
   99   1HG2  VAL  14          1HG2      VAL  14 -16.261   0.765   1.035
  100   2HG2  VAL  14          2HG2      VAL  14 -16.259  -0.870   0.374
  101   3HG2  VAL  14          3HG2      VAL  14 -15.806   0.494  -0.643
  102    H    GLU  15           H        GLU  15 -10.981   0.421   0.673
  103    HA   GLU  15           HA       GLU  15 -10.942   3.148   1.783
  104   1HB   GLU  15          2HB       GLU  15 -11.247   0.833   3.368
  105   2HB   GLU  15          1HB       GLU  15  -9.591   1.403   3.613
  106   1HG   GLU  15          2HG       GLU  15 -10.420   3.658   4.102
  107   2HG   GLU  15          1HG       GLU  15 -12.074   3.078   3.908
  108    H    LYS  16           H        LYS  16  -8.656   3.348   3.030
  109    HA   LYS  16           HA       LYS  16  -6.383   2.232   1.805
  110   1HB   LYS  16          2HB       LYS  16  -5.750   3.967   0.302
  111   2HB   LYS  16          1HB       LYS  16  -7.359   3.393  -0.093
  112   1HG   LYS  16          2HG       LYS  16  -7.914   5.542  -0.186
  113   2HG   LYS  16          1HG       LYS  16  -7.945   5.448   1.575
  114   1HD   LYS  16          2HD       LYS  16  -5.733   6.327   1.725
  115   2HD   LYS  16          1HD       LYS  16  -5.490   6.178  -0.005
  116   1HE   LYS  16          2HE       LYS  16  -7.248   7.849  -0.357
  117   2HE   LYS  16          1HE       LYS  16  -7.426   8.001   1.389
  118   1HZ   LYS  16          1HZ       LYS  16  -5.699   9.367   1.480
  119   2HZ   LYS  16          2HZ       LYS  16  -5.706   9.421  -0.210
  120   3HZ   LYS  16          3HZ       LYS  16  -4.711   8.315   0.597
  121    H    ARG  17           H        ARG  17  -4.682   4.466   1.806
  122    HA   ARG  17           HA       ARG  17  -3.724   6.124   3.075
  123   1HB   ARG  17          2HB       ARG  17  -5.612   5.431   5.334
  124   2HB   ARG  17          1HB       ARG  17  -4.563   6.831   5.222
  125   1HG   ARG  17          2HG       ARG  17  -5.856   7.646   3.311
  126   2HG   ARG  17          1HG       ARG  17  -6.925   6.251   3.451
  127   1HD   ARG  17          2HD       ARG  17  -7.935   8.194   4.494
  128   2HD   ARG  17          1HD       ARG  17  -7.557   6.977   5.711
  129    HE   ARG  17           HE       ARG  17  -6.404   9.610   5.456
  130   1HH1  ARG  17          1HH1      ARG  17  -6.109   6.440   6.882
  131   2HH1  ARG  17          2HH1      ARG  17  -4.945   6.940   8.058
  132   1HH2  ARG  17          1HH2      ARG  17  -4.884  10.274   7.011
  133   2HH2  ARG  17          2HH2      ARG  17  -4.253   9.119   8.137
  134    H    GLY  18           H        GLY  18  -1.770   5.746   3.903
  135   1HA   GLY  18          2HA       GLY  18  -1.424   3.810   6.047
  136   2HA   GLY  18          1HA       GLY  18  -0.644   3.395   4.528
  137    H    LYS  19           H        LYS  19   1.410   3.490   5.513
  138    HA   LYS  19           HA       LYS  19   2.357   5.798   6.875
  139   1HB   LYS  19          2HB       LYS  19   4.020   3.703   5.473
  140   2HB   LYS  19          1HB       LYS  19   4.532   4.773   6.768
  141   1HG   LYS  19          2HG       LYS  19   3.058   3.658   8.325
  142   2HG   LYS  19          1HG       LYS  19   2.437   2.628   7.034
  143   1HD   LYS  19          2HD       LYS  19   4.681   1.689   6.716
  144   2HD   LYS  19          1HD       LYS  19   5.290   2.710   8.022
  145   1HE   LYS  19          2HE       LYS  19   3.797   1.596   9.596
  146   2HE   LYS  19          1HE       LYS  19   3.154   0.597   8.295
  147   1HZ   LYS  19          1HZ       LYS  19   5.576  -0.119   7.980
  148   2HZ   LYS  19          2HZ       LYS  19   4.732  -0.746   9.305
  149   3HZ   LYS  19          3HZ       LYS  19   5.835   0.517   9.527
  150    H    GLY  20           H        GLY  20   4.058   7.251   6.118
  151   1HA   GLY  20          2HA       GLY  20   3.478   8.688   3.873
  152   2HA   GLY  20          1HA       GLY  20   5.095   8.608   4.557
  153    H    LYS  21           H        LYS  21   5.486   5.811   4.054
  154    HA   LYS  21           HA       LYS  21   5.620   5.795   1.112
  155   1HB   LYS  21          2HB       LYS  21   7.673   4.715   3.054
  156   2HB   LYS  21          1HB       LYS  21   7.751   4.566   1.304
  157   1HG   LYS  21          2HG       LYS  21   7.849   7.020   1.124
  158   2HG   LYS  21          1HG       LYS  21   7.848   7.127   2.886
  159   1HD   LYS  21          2HD       LYS  21   9.931   5.765   1.178
  160   2HD   LYS  21          1HD       LYS  21  10.114   7.307   2.018
  161   1HE   LYS  21          2HE       LYS  21   9.829   6.177   4.164
  162   2HE   LYS  21          1HE       LYS  21   9.616   4.638   3.333
  163   1HZ   LYS  21          1HZ       LYS  21  12.042   6.084   2.677
  164   2HZ   LYS  21          2HZ       LYS  21  11.809   4.435   2.971
  165   3HZ   LYS  21          3HZ       LYS  21  11.953   5.512   4.268
  166    H    ASP  22           H        ASP  22   3.427   4.739   2.239
  167    HA   ASP  22           HA       ASP  22   3.380   2.109   1.316
  168   1HB   ASP  22          2HB       ASP  22   4.681   1.639   3.372
  169   2HB   ASP  22          1HB       ASP  22   3.371   2.315   4.334
  170    H    VAL  23           H        VAL  23   1.479   2.262   0.458
  171    HA   VAL  23           HA       VAL  23  -0.877   2.883   2.106
  172    HB   VAL  23           HB       VAL  23  -0.540   3.970  -0.669
  173   1HG1  VAL  23          1HG1      VAL  23  -2.814   3.830  -0.127
  174   2HG1  VAL  23          2HG1      VAL  23  -2.383   5.512   0.178
  175   3HG1  VAL  23          3HG1      VAL  23  -2.542   4.384   1.525
  176   1HG2  VAL  23          1HG2      VAL  23   0.375   5.100   1.908
  177   2HG2  VAL  23          2HG2      VAL  23  -0.407   6.206   0.779
  178   3HG2  VAL  23          3HG2      VAL  23   1.028   5.309   0.284
  179    H    GLU  24           H        GLU  24  -2.905   2.198   0.923
  180    HA   GLU  24           HA       GLU  24  -2.635   0.455  -1.311
  181   1HB   GLU  24          2HB       GLU  24  -3.755  -1.298   0.637
  182   2HB   GLU  24          1HB       GLU  24  -2.320  -1.534  -0.342
  183   1HG   GLU  24          2HG       GLU  24  -0.942  -0.521   1.348
  184   2HG   GLU  24          1HG       GLU  24  -2.364  -0.082   2.294
  185    H    TYR  25           H        TYR  25  -4.552  -0.359  -2.103
  186    HA   TYR  25           HA       TYR  25  -7.001   0.704  -0.895
  187   1HB   TYR  25          2HB       TYR  25  -6.305   0.874  -3.851
  188   2HB   TYR  25          1HB       TYR  25  -7.779   1.479  -3.072
  189    HD1  TYR  25           1HD      TYR  25  -4.101   1.729  -2.849
  190    HD2  TYR  25           2HD      TYR  25  -7.830   3.648  -2.313
  191    HE1  TYR  25           1HE      TYR  25  -2.930   3.755  -2.208
  192    HE2  TYR  25           2HE      TYR  25  -6.664   5.715  -1.682
  193    HH   TYR  25           HH       TYR  25  -3.268   6.131  -2.121
  194    H    LEU  26           H        LEU  26  -7.968  -1.021  -0.271
  195    HA   LEU  26           HA       LEU  26  -9.244  -2.858  -1.896
  196   1HB   LEU  26          2HB       LEU  26  -6.509  -3.553  -1.084
  197   2HB   LEU  26          1HB       LEU  26  -7.674  -4.834  -0.939
  198    HG   LEU  26           HG       LEU  26  -6.370  -3.671  -3.323
  199   1HD1  LEU  26          1HD1      LEU  26  -6.992  -6.273  -2.171
  200   2HD1  LEU  26          2HD1      LEU  26  -5.627  -5.753  -3.160
  201   3HD1  LEU  26          3HD1      LEU  26  -7.154  -6.192  -3.926
  202   1HD2  LEU  26          1HD2      LEU  26  -8.326  -3.089  -4.293
  203   2HD2  LEU  26          2HD2      LEU  26  -9.285  -4.122  -3.240
  204   3HD2  LEU  26          3HD2      LEU  26  -8.422  -4.820  -4.600
  205    H    VAL  27           H        VAL  27 -10.600  -1.841  -0.163
  206    HA   VAL  27           HA       VAL  27 -10.499  -3.488   2.248
  207    HB   VAL  27           HB       VAL  27 -11.088  -0.576   2.253
  208   1HG1  VAL  27          1HG1      VAL  27 -11.854  -2.494   4.057
  209   2HG1  VAL  27          2HG1      VAL  27 -11.711  -0.767   4.389
  210   3HG1  VAL  27          3HG1      VAL  27 -10.374  -1.849   4.762
  211   1HG2  VAL  27          1HG2      VAL  27  -8.909  -0.425   3.509
  212   2HG2  VAL  27          2HG2      VAL  27  -8.771  -0.790   1.789
  213   3HG2  VAL  27          3HG2      VAL  27  -8.588  -2.076   2.980
  214    H    ARG  28           H        ARG  28 -12.259  -3.978   0.074
  215    HA   ARG  28           HA       ARG  28 -14.854  -3.146   1.174
  216   1HB   ARG  28          2HB       ARG  28 -15.350  -3.512  -1.476
  217   2HB   ARG  28          1HB       ARG  28 -15.075  -1.982  -0.679
  218   1HG   ARG  28          2HG       ARG  28 -13.769  -1.998  -2.611
  219   2HG   ARG  28          1HG       ARG  28 -12.649  -2.236  -1.289
  220   1HD   ARG  28          2HD       ARG  28 -13.624  -4.705  -2.344
  221   2HD   ARG  28          1HD       ARG  28 -12.865  -3.778  -3.561
  222    HE   ARG  28           HE       ARG  28 -11.173  -3.733  -1.391
  223   1HH1  ARG  28          1HH1      ARG  28 -12.387  -6.043  -3.686
  224   2HH1  ARG  28          2HH1      ARG  28 -11.072  -7.139  -3.474
  225   1HH2  ARG  28          1HH2      ARG  28  -9.478  -5.181  -1.086
  226   2HH2  ARG  28          2HH2      ARG  28  -9.411  -6.646  -2.001
  227    H    TRP  29           H        TRP  29 -13.246  -5.521  -0.805
  228    HA   TRP  29           HA       TRP  29 -15.283  -7.159  -1.356
  229   1HB   TRP  29          2HB       TRP  29 -13.583  -8.976  -1.545
  230   2HB   TRP  29          1HB       TRP  29 -13.247  -7.506  -2.441
  231    HD1  TRP  29           HD       TRP  29 -10.906  -9.346  -2.109
  232    HE1  TRP  29           1HE      TRP  29  -8.866  -8.832  -0.627
  233    HE3  TRP  29           3HE      TRP  29 -12.923  -5.815   1.089
  234    HZ2  TRP  29           2HZ      TRP  29  -8.181  -7.217   1.485
  235    HZ3  TRP  29           3HZ      TRP  29 -11.494  -4.866   2.792
  236    HH2  TRP  29           HH       TRP  29  -9.160  -5.566   2.983
  237    H    LYS  30           H        LYS  30 -13.097  -8.406   1.005
  238    HA   LYS  30           HA       LYS  30 -15.243  -9.676   2.401
  239   1HB   LYS  30          2HB       LYS  30 -12.245  -9.843   2.746
  240   2HB   LYS  30          1HB       LYS  30 -13.395 -10.746   3.723
  241   1HG   LYS  30          2HG       LYS  30 -14.214 -11.874   1.720
  242   2HG   LYS  30          1HG       LYS  30 -13.069 -10.959   0.737
  243   1HD   LYS  30          2HD       LYS  30 -11.211 -11.966   1.979
  244   2HD   LYS  30          1HD       LYS  30 -12.362 -12.888   2.947
  245   1HE   LYS  30          2HE       LYS  30 -13.154 -14.022   0.935
  246   2HE   LYS  30          1HE       LYS  30 -12.023 -13.086  -0.044
  247   1HZ   LYS  30          1HZ       LYS  30 -10.329 -14.401   0.528
  248   2HZ   LYS  30          2HZ       LYS  30 -11.511 -15.511   1.007
  249   3HZ   LYS  30          3HZ       LYS  30 -10.795 -14.493   2.152
  250    H    ASP  31           H        ASP  31 -12.435  -8.568   4.163
  251    HA   ASP  31           HA       ASP  31 -12.281  -7.425   6.120
  252   1HB   ASP  31          2HB       ASP  31 -12.890  -5.047   5.869
  253   2HB   ASP  31          1HB       ASP  31 -12.050  -5.670   4.453
  254    H    GLY  32           H        GLY  32 -13.728  -5.658   7.479
  255   1HA   GLY  32          2HA       GLY  32 -16.414  -5.842   7.842
  256   2HA   GLY  32          1HA       GLY  32 -15.792  -7.276   8.652
  257    H    GLY  33           H        GLY  33 -13.733  -6.704  10.019
  258   1HA   GLY  33          2HA       GLY  33 -14.608  -4.659  11.902
  259   2HA   GLY  33          1HA       GLY  33 -13.348  -5.858  12.173
  260    H    ASP  34           H        ASP  34 -11.722  -5.479  10.014
  261    HA   ASP  34           HA       ASP  34 -10.880  -2.662  10.197
  262   1HB   ASP  34          2HB       ASP  34  -9.054  -5.076  10.314
  263   2HB   ASP  34          1HB       ASP  34  -8.541  -3.394  10.346
  264    H    CYS  35           H        CYS  35  -8.690  -2.752   8.557
  265    HA   CYS  35           HA       CYS  35  -9.916  -3.292   5.956
  266   1HB   CYS  35          2HB       CYS  35  -7.362  -1.786   6.589
  267   2HB   CYS  35          1HB       CYS  35  -8.203  -1.823   5.044
  268    HG   CYS  35           HG       CYS  35  -8.431   0.474   7.168
  269    H    GLU  36           H        GLU  36  -8.817  -4.459   4.339
  270    HA   GLU  36           HA       GLU  36  -6.550  -6.090   5.256
  271   1HB   GLU  36          2HB       GLU  36  -8.231  -7.612   3.451
  272   2HB   GLU  36          1HB       GLU  36  -7.612  -8.047   5.034
  273   1HG   GLU  36          2HG       GLU  36  -9.975  -6.241   4.806
  274   2HG   GLU  36          1HG       GLU  36 -10.160  -7.982   4.599
  275    H    TRP  37           H        TRP  37  -6.834  -3.770   3.261
  276    HA   TRP  37           HA       TRP  37  -6.600  -4.733   0.663
  277   1HB   TRP  37          2HB       TRP  37  -4.990  -2.727   0.371
  278   2HB   TRP  37          1HB       TRP  37  -6.709  -2.542   0.574
  279    HD1  TRP  37           HD       TRP  37  -6.210  -0.211   1.134
  280    HE1  TRP  37           1HE      TRP  37  -5.623   0.998   3.370
  281    HE3  TRP  37           3HE      TRP  37  -4.570  -4.215   3.751
  282    HZ2  TRP  37           2HZ      TRP  37  -4.581   0.241   5.895
  283    HZ3  TRP  37           3HZ      TRP  37  -3.791  -3.929   6.051
  284    HH2  TRP  37           HH       TRP  37  -3.793  -1.731   7.108
  285    H    VAL  38           H        VAL  38  -4.222  -4.184  -0.487
  286    HA   VAL  38           HA       VAL  38  -2.321  -5.894   0.954
  287    HB   VAL  38           HB       VAL  38  -2.710  -5.887  -2.032
  288   1HG1  VAL  38          1HG1      VAL  38  -0.700  -6.997  -0.260
  289   2HG1  VAL  38          2HG1      VAL  38  -0.692  -6.829  -2.017
  290   3HG1  VAL  38          3HG1      VAL  38  -1.459  -8.230  -1.269
  291   1HG2  VAL  38          1HG2      VAL  38  -4.661  -6.887  -1.228
  292   2HG2  VAL  38          2HG2      VAL  38  -3.818  -7.677   0.104
  293   3HG2  VAL  38          3HG2      VAL  38  -3.587  -8.248  -1.549
  294    H    LYS  39           H        LYS  39  -2.413  -3.896  -1.926
  295    HA   LYS  39           HA       LYS  39  -0.397  -2.077  -0.940
  296   1HB   LYS  39          2HB       LYS  39   0.178  -4.023  -3.161
  297   2HB   LYS  39          1HB       LYS  39   0.954  -2.451  -3.129
  298   1HG   LYS  39          2HG       LYS  39   2.544  -3.550  -1.994
  299   2HG   LYS  39          1HG       LYS  39   1.474  -3.270  -0.622
  300   1HD   LYS  39          2HD       LYS  39   2.180  -5.576  -0.633
  301   2HD   LYS  39          1HD       LYS  39   0.464  -5.493  -1.008
  302   1HE   LYS  39          2HE       LYS  39   1.624  -7.096  -2.443
  303   2HE   LYS  39          1HE       LYS  39   0.945  -5.768  -3.378
  304   1HZ   LYS  39          1HZ       LYS  39   2.960  -5.112  -4.037
  305   2HZ   LYS  39          2HZ       LYS  39   3.491  -6.641  -3.543
  306   3HZ   LYS  39          3HZ       LYS  39   3.652  -5.315  -2.505
  307    H    GLY  40           H        GLY  40  -0.366  -0.154  -1.960
  308   1HA   GLY  40          2HA       GLY  40  -2.687   0.456  -3.550
  309   2HA   GLY  40          1HA       GLY  40  -1.485   1.602  -2.966
  310    H    VAL  41           H        VAL  41   0.821   0.834  -3.982
  311    HA   VAL  41           HA       VAL  41   0.993   1.828  -6.504
  312    HB   VAL  41           HB       VAL  41   2.967   1.296  -5.145
  313   1HG1  VAL  41          1HG1      VAL  41   2.025  -0.995  -4.492
  314   2HG1  VAL  41          2HG1      VAL  41   3.760  -0.875  -4.773
  315   3HG1  VAL  41          3HG1      VAL  41   2.712  -1.567  -6.011
  316   1HG2  VAL  41          1HG2      VAL  41   4.395   0.381  -6.982
  317   2HG2  VAL  41          2HG2      VAL  41   3.361   1.725  -7.465
  318   3HG2  VAL  41          3HG2      VAL  41   2.920   0.073  -7.901
  319    H    HIS  42           H        HIS  42   0.281  -1.487  -5.582
  320    HA   HIS  42           HA       HIS  42   0.152  -2.406  -8.303
  321   1HB   HIS  42          2HB       HIS  42   0.829  -4.153  -6.990
  322   2HB   HIS  42          1HB       HIS  42  -0.038  -3.567  -5.581
  323    HD1  HIS  42           1HD      HIS  42  -0.815  -5.335  -8.869
  324    HD2  HIS  42           2HD      HIS  42  -2.234  -4.933  -4.993
  325    HE1  HIS  42           1HE      HIS  42  -2.733  -6.955  -8.694
  326    HE2  HIS  42           2HE      HIS  42  -3.493  -6.793  -6.294
  327    H    VAL  43           H        VAL  43  -2.061  -1.470  -5.718
  328    HA   VAL  43           HA       VAL  43  -4.342  -1.911  -7.493
  329    HB   VAL  43           HB       VAL  43  -4.456  -1.053  -4.584
  330   1HG1  VAL  43          1HG1      VAL  43  -6.403  -1.517  -6.714
  331   2HG1  VAL  43          2HG1      VAL  43  -6.579  -0.670  -5.177
  332   3HG1  VAL  43          3HG1      VAL  43  -6.744  -2.425  -5.241
  333   1HG2  VAL  43          1HG2      VAL  43  -3.360  -3.352  -5.207
  334   2HG2  VAL  43          2HG2      VAL  43  -5.027  -3.838  -5.513
  335   3HG2  VAL  43          3HG2      VAL  43  -4.557  -3.257  -3.916
  336    H    ALA  44           H        ALA  44  -2.549   0.235  -8.121
  337    HA   ALA  44           HA       ALA  44  -2.603   2.435  -8.737
  338   1HB   ALA  44          1HB       ALA  44  -4.978   1.432  -9.415
  339   2HB   ALA  44          2HB       ALA  44  -4.548   3.121  -9.672
  340   3HB   ALA  44          3HB       ALA  44  -5.514   2.661  -8.270
  341    H    GLU  45           H        GLU  45  -1.533   2.608  -6.507
  342    HA   GLU  45           HA       GLU  45  -2.875   3.486  -4.261
  343   1HB   GLU  45          2HB       GLU  45  -0.554   2.901  -4.103
  344   2HB   GLU  45          1HB       GLU  45  -0.096   4.198  -5.194
  345   1HG   GLU  45          2HG       GLU  45  -0.964   5.800  -3.472
  346   2HG   GLU  45          1HG       GLU  45  -1.158   4.426  -2.398
  347    H    ASP  46           H        ASP  46  -1.394   5.491  -6.806
  348    HA   ASP  46           HA       ASP  46  -2.479   7.895  -5.640
  349   1HB   ASP  46          2HB       ASP  46  -0.247   7.880  -6.683
  350   2HB   ASP  46          1HB       ASP  46  -0.985   7.511  -8.239
  351    H    VAL  47           H        VAL  47  -4.244   5.711  -6.955
  352    HA   VAL  47           HA       VAL  47  -5.682   7.560  -8.753
  353    HB   VAL  47           HB       VAL  47  -5.764   4.533  -8.692
  354   1HG1  VAL  47          1HG1      VAL  47  -7.166   4.710 -10.685
  355   2HG1  VAL  47          2HG1      VAL  47  -7.129   6.469 -10.567
  356   3HG1  VAL  47          3HG1      VAL  47  -7.922   5.518  -9.313
  357   1HG2  VAL  47          1HG2      VAL  47  -4.453   6.495 -10.560
  358   2HG2  VAL  47          2HG2      VAL  47  -4.791   4.827 -11.021
  359   3HG2  VAL  47          3HG2      VAL  47  -3.710   5.168  -9.668
  360    H    ALA  48           H        ALA  48  -6.008   5.110  -6.243
  361    HA   ALA  48           HA       ALA  48  -8.792   5.808  -5.841
  362   1HB   ALA  48          1HB       ALA  48  -8.593   4.032  -4.025
  363   2HB   ALA  48          2HB       ALA  48  -6.990   3.712  -4.693
  364   3HB   ALA  48          3HB       ALA  48  -8.419   3.516  -5.702
  365    H    LYS  49           H        LYS  49  -5.782   6.909  -4.710
  366    HA   LYS  49           HA       LYS  49  -6.354   7.476  -2.028
  367   1HB   LYS  49          2HB       LYS  49  -4.615   9.186  -2.147
  368   2HB   LYS  49          1HB       LYS  49  -4.097   7.707  -2.940
  369   1HG   LYS  49          2HG       LYS  49  -4.202   8.644  -5.051
  370   2HG   LYS  49          1HG       LYS  49  -5.284   9.937  -4.534
  371   1HD   LYS  49          2HD       LYS  49  -2.931  10.663  -4.978
  372   2HD   LYS  49          1HD       LYS  49  -3.530  11.050  -3.365
  373   1HE   LYS  49          2HE       LYS  49  -2.369   9.079  -2.474
  374   2HE   LYS  49          1HE       LYS  49  -1.751   8.720  -4.083
  375   1HZ   LYS  49          1HZ       LYS  49  -1.182  11.403  -3.319
  376   2HZ   LYS  49          2HZ       LYS  49  -0.125  10.185  -3.829
  377   3HZ   LYS  49          3HZ       LYS  49  -0.555  10.302  -2.197
  378    H    ASP  50           H        ASP  50  -7.056   9.248  -4.968
  379    HA   ASP  50           HA       ASP  50  -8.230  11.457  -3.613
  380   1HB   ASP  50          2HB       ASP  50  -7.255  11.795  -5.791
  381   2HB   ASP  50          1HB       ASP  50  -8.318  10.579  -6.483
  382    H    TYR  51           H        TYR  51  -9.327   8.421  -4.741
  383    HA   TYR  51           HA       TYR  51 -12.044   8.853  -5.043
  384   1HB   TYR  51          2HB       TYR  51 -10.969   6.802  -5.723
  385   2HB   TYR  51          1HB       TYR  51 -10.595   6.463  -4.039
  386    HD1  TYR  51           1HD      TYR  51 -13.098   6.219  -6.628
  387    HD2  TYR  51           2HD      TYR  51 -12.436   5.982  -2.423
  388    HE1  TYR  51           1HE      TYR  51 -15.269   5.097  -6.358
  389    HE2  TYR  51           2HE      TYR  51 -14.616   4.868  -2.152
  390    HH   TYR  51           HH       TYR  51 -16.935   4.910  -3.765
  391    H    GLU  52           H        GLU  52 -10.410   7.498  -2.210
  392    HA   GLU  52           HA       GLU  52 -12.823   7.828  -0.636
  393   1HB   GLU  52          2HB       GLU  52 -11.706   5.735  -0.469
  394   2HB   GLU  52          1HB       GLU  52 -10.201   6.519  -0.078
  395   1HG   GLU  52          2HG       GLU  52 -12.507   6.950   1.736
  396   2HG   GLU  52          1HG       GLU  52 -11.708   5.382   1.760
  397    H    ASP  53           H        ASP  53  -9.420   8.704  -0.225
  398    HA   ASP  53           HA       ASP  53  -9.297  10.162   1.991
  399   1HB   ASP  53          2HB       ASP  53  -7.544   9.940   0.169
  400   2HB   ASP  53          1HB       ASP  53  -8.294  11.334  -0.599
  401    H    GLY  54           H        GLY  54 -10.858  11.283  -0.970
  402   1HA   GLY  54          2HA       GLY  54 -11.588  13.841   0.180
  403   2HA   GLY  54          1HA       GLY  54 -12.058  13.230  -1.405
  404    H    LEU  55           H        LEU  55 -13.283  10.875  -0.811
  405    HA   LEU  55           HA       LEU  55 -15.850  11.693   0.024
  406   1HB   LEU  55          2HB       LEU  55 -14.670   8.947  -0.365
  407   2HB   LEU  55          1HB       LEU  55 -16.363   9.235  -0.013
  408    HG   LEU  55           HG       LEU  55 -14.884  10.203  -2.460
  409   1HD1  LEU  55          1HD1      LEU  55 -17.140   8.463  -2.901
  410   2HD1  LEU  55          2HD1      LEU  55 -15.924   7.684  -1.889
  411   3HD1  LEU  55          3HD1      LEU  55 -15.477   8.318  -3.472
  412   1HD2  LEU  55          1HD2      LEU  55 -17.599  10.739  -1.369
  413   2HD2  LEU  55          2HD2      LEU  55 -17.408  10.574  -3.115
  414   3HD2  LEU  55          3HD2      LEU  55 -16.499  11.807  -2.242
  415    H    GLU  56           H        GLU  56 -14.545   8.808   1.555
  416    HA   GLU  56           HA       GLU  56 -15.588   9.625   4.087
  417   1HB   GLU  56          2HB       GLU  56 -15.651   7.289   3.429
  418   2HB   GLU  56          1HB       GLU  56 -13.900   7.238   3.313
  419   1HG   GLU  56          2HG       GLU  56 -13.670   7.472   5.677
  420   2HG   GLU  56          1HG       GLU  56 -15.388   7.806   5.864
  421    H    TYR  57           H        TYR  57 -14.072  11.649   3.771
  422    HA   TYR  57           HA       TYR  57 -11.328  11.446   4.299
  423   1HB   TYR  57          2HB       TYR  57 -12.355  13.497   3.438
  424   2HB   TYR  57          1HB       TYR  57 -13.219  13.715   4.958
  425    HD1  TYR  57           1HD      TYR  57  -9.671  12.744   4.360
  426    HD2  TYR  57           2HD      TYR  57 -12.356  15.675   5.876
  427    HE1  TYR  57           1HE      TYR  57  -7.768  14.016   5.254
  428    HE2  TYR  57           2HE      TYR  57 -10.459  16.956   6.772
  429    HH   TYR  57           HH       TYR  57  -7.461  16.699   5.848
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1 -20.399  -1.600   7.393
    2   2H    GLY   1          2HT       GLY   1 -21.459  -0.315   7.688
    3   3H    GLY   1          3HT       GLY   1 -20.040  -0.466   8.597
    4   1HA   GLY   1          1HA       GLY   1 -18.802   0.576   7.094
    5   2HA   GLY   1          2HA       GLY   1 -19.502  -0.374   5.792
    6    H    SER   2           H        SER   2 -21.015   1.869   8.095
    7    HA   SER   2           HA       SER   2 -22.479   3.136   5.961
    8   1HB   SER   2          2HB       SER   2 -23.485   4.490   7.772
    9   2HB   SER   2          1HB       SER   2 -23.563   2.762   8.119
   10    HG   SER   2           HG       SER   2 -21.906   4.733   9.262
   11    H    GLN   3           H        GLN   3 -19.947   3.579   5.274
   12    HA   GLN   3           HA       GLN   3 -18.731   5.887   6.360
   13   1HB   GLN   3          2HB       GLN   3 -18.452   4.762   3.574
   14   2HB   GLN   3          1HB       GLN   3 -17.302   5.809   4.399
   15   1HG   GLN   3          2HG       GLN   3 -18.004   2.970   5.090
   16   2HG   GLN   3          1HG       GLN   3 -16.477   3.569   4.448
   17   1HE2  GLN   3          1HE2      GLN   3 -17.893   2.476   7.144
   18   2HE2  GLN   3          2HE2      GLN   3 -16.951   3.286   8.345
   19    H    VAL   4           H        VAL   4 -18.308   7.274   3.695
   20    HA   VAL   4           HA       VAL   4 -20.358   9.164   3.999
   21    HB   VAL   4           HB       VAL   4 -18.479   8.821   1.635
   22   1HG1  VAL   4          1HG1      VAL   4 -19.328  10.692   0.744
   23   2HG1  VAL   4          2HG1      VAL   4 -19.457  11.493   2.309
   24   3HG1  VAL   4          3HG1      VAL   4 -20.730  10.396   1.772
   25   1HG2  VAL   4          1HG2      VAL   4 -17.027   9.229   3.336
   26   2HG2  VAL   4          2HG2      VAL   4 -18.231  10.038   4.335
   27   3HG2  VAL   4          3HG2      VAL   4 -17.497  10.889   2.978
   28    H    PHE   5           H        PHE   5 -19.926   8.147   0.681
   29    HA   PHE   5           HA       PHE   5 -22.638   8.213   0.162
   30   1HB   PHE   5          2HB       PHE   5 -20.200   7.346  -1.310
   31   2HB   PHE   5          1HB       PHE   5 -21.774   6.910  -1.980
   32    HD1  PHE   5           1HD      PHE   5 -21.051  10.009  -0.123
   33    HD2  PHE   5           2HD      PHE   5 -21.695   8.234  -3.930
   34    HE1  PHE   5           1HE      PHE   5 -21.223  12.248  -1.128
   35    HE2  PHE   5           2HE      PHE   5 -21.871  10.468  -4.946
   36    HZ   PHE   5           HZ       PHE   5 -21.635  12.479  -3.545
   37    H    GLU   6           H        GLU   6 -21.307   5.310  -1.090
   38    HA   GLU   6           HA       GLU   6 -23.135   3.726   0.550
   39   1HB   GLU   6          2HB       GLU   6 -22.061   3.347  -2.236
   40   2HB   GLU   6          1HB       GLU   6 -22.999   2.124  -1.385
   41   1HG   GLU   6          2HG       GLU   6 -23.926   4.886  -2.151
   42   2HG   GLU   6          1HG       GLU   6 -24.395   3.371  -2.922
   43    H    TYR   7           H        TYR   7 -20.082   3.554  -1.179
   44    HA   TYR   7           HA       TYR   7 -18.189   2.390  -0.920
   45   1HB   TYR   7          2HB       TYR   7 -18.828   3.552   1.632
   46   2HB   TYR   7          1HB       TYR   7 -17.928   2.053   1.851
   47    HD1  TYR   7           1HD      TYR   7 -16.261   2.216  -0.693
   48    HD2  TYR   7           2HD      TYR   7 -17.159   5.111   2.291
   49    HE1  TYR   7           1HE      TYR   7 -14.194   3.410  -1.238
   50    HE2  TYR   7           2HE      TYR   7 -15.094   6.317   1.740
   51    HH   TYR   7           HH       TYR   7 -13.455   6.524   0.174
   52    H    ALA   8           H        ALA   8 -20.404   0.815  -1.396
   53    HA   ALA   8           HA       ALA   8 -19.703  -1.684  -0.023
   54   1HB   ALA   8          1HB       ALA   8 -22.137  -2.099  -1.320
   55   2HB   ALA   8          2HB       ALA   8 -22.299  -0.495  -0.605
   56   3HB   ALA   8          3HB       ALA   8 -21.906  -1.879   0.414
   57    H    GLU   9           H        GLU   9 -17.988  -1.133  -1.707
   58    HA   GLU   9           HA       GLU   9 -18.666  -1.573  -4.434
   59   1HB   GLU   9          2HB       GLU   9 -15.867  -1.850  -4.006
   60   2HB   GLU   9          1HB       GLU   9 -16.710  -0.568  -4.837
   61   1HG   GLU   9          2HG       GLU   9 -17.046   0.161  -2.249
   62   2HG   GLU   9          1HG       GLU   9 -15.478  -0.676  -2.167
   63    H    VAL  10           H        VAL  10 -17.210  -3.263  -1.784
   64    HA   VAL  10           HA       VAL  10 -16.602  -5.443  -1.472
   65    HB   VAL  10           HB       VAL  10 -19.050  -5.312  -1.422
   66   1HG1  VAL  10          1HG1      VAL  10 -19.949  -5.005  -3.472
   67   2HG1  VAL  10          2HG1      VAL  10 -20.092  -6.759  -3.381
   68   3HG1  VAL  10          3HG1      VAL  10 -18.765  -6.031  -4.277
   69   1HG2  VAL  10          1HG2      VAL  10 -18.760  -7.333  -0.536
   70   2HG2  VAL  10          2HG2      VAL  10 -17.383  -7.639  -1.594
   71   3HG2  VAL  10          3HG2      VAL  10 -19.015  -8.023  -2.139
   72    H    ASP  11           H        ASP  11 -15.202  -4.425  -3.466
   73    HA   ASP  11           HA       ASP  11 -13.928  -6.447  -4.719
   74   1HB   ASP  11          2HB       ASP  11 -15.891  -7.177  -5.886
   75   2HB   ASP  11          1HB       ASP  11 -16.247  -5.541  -6.424
   76    H    GLU  12           H        GLU  12 -14.955  -3.153  -4.806
   77    HA   GLU  12           HA       GLU  12 -12.587  -2.444  -6.434
   78   1HB   GLU  12          2HB       GLU  12 -14.725  -2.016  -7.545
   79   2HB   GLU  12          1HB       GLU  12 -15.228  -1.056  -6.152
   80   1HG   GLU  12          2HG       GLU  12 -14.542   0.381  -7.962
   81   2HG   GLU  12          1HG       GLU  12 -13.453   0.519  -6.586
   82    H    ILE  13           H        ILE  13 -11.414  -2.328  -4.223
   83    HA   ILE  13           HA       ILE  13 -10.928  -1.330  -2.222
   84    HB   ILE  13           HB       ILE  13  -9.823   0.897  -2.715
   85   1HG1  ILE  13          2HG1      ILE  13  -9.629   1.251  -5.293
   86   2HG1  ILE  13          1HG1      ILE  13 -11.166   0.399  -5.356
   87   1HG2  ILE  13          1HG2      ILE  13  -8.724  -1.302  -2.948
   88   2HG2  ILE  13          2HG2      ILE  13  -8.106  -0.114  -4.097
   89   3HG2  ILE  13          3HG2      ILE  13  -9.235  -1.354  -4.632
   90   1HD1  ILE  13          1HD1      ILE  13 -11.096   2.572  -3.410
   91   2HD1  ILE  13          2HD1      ILE  13 -12.303   2.173  -4.634
   92   3HD1  ILE  13          3HD1      ILE  13 -10.862   3.083  -5.081
   93    H    VAL  14           H        VAL  14 -11.817  -0.515  -0.470
   94    HA   VAL  14           HA       VAL  14 -13.880   1.541  -0.700
   95    HB   VAL  14           HB       VAL  14 -13.878  -0.948   0.723
   96   1HG1  VAL  14          1HG1      VAL  14 -14.417   1.371   2.574
   97   2HG1  VAL  14          2HG1      VAL  14 -12.962   0.377   2.639
   98   3HG1  VAL  14          3HG1      VAL  14 -14.542  -0.348   2.947
   99   1HG2  VAL  14          1HG2      VAL  14 -15.675   0.448  -0.565
  100   2HG2  VAL  14          2HG2      VAL  14 -16.068   1.009   1.057
  101   3HG2  VAL  14          3HG2      VAL  14 -16.126  -0.710   0.678
  102    H    GLU  15           H        GLU  15 -10.835   0.634   0.773
  103    HA   GLU  15           HA       GLU  15 -10.727   3.371   1.817
  104   1HB   GLU  15          2HB       GLU  15 -10.747   0.932   3.460
  105   2HB   GLU  15          1HB       GLU  15  -9.461   2.079   3.852
  106   1HG   GLU  15          2HG       GLU  15 -11.119   3.872   4.062
  107   2HG   GLU  15          1HG       GLU  15 -12.400   2.710   3.707
  108    H    LYS  16           H        LYS  16  -8.449   3.780   2.841
  109    HA   LYS  16           HA       LYS  16  -6.182   2.455   1.788
  110   1HB   LYS  16          2HB       LYS  16  -5.634   4.065   0.019
  111   2HB   LYS  16          1HB       LYS  16  -7.088   3.130  -0.281
  112   1HG   LYS  16          2HG       LYS  16  -7.945   5.123  -0.818
  113   2HG   LYS  16          1HG       LYS  16  -8.194   5.231   0.926
  114   1HD   LYS  16          2HD       LYS  16  -6.157   6.502   1.173
  115   2HD   LYS  16          1HD       LYS  16  -5.786   6.311  -0.537
  116   1HE   LYS  16          2HE       LYS  16  -7.866   7.989   0.783
  117   2HE   LYS  16          1HE       LYS  16  -6.726   8.413  -0.497
  118   1HZ   LYS  16          1HZ       LYS  16  -8.812   8.253  -1.535
  119   2HZ   LYS  16          2HZ       LYS  16  -9.200   6.830  -0.712
  120   3HZ   LYS  16          3HZ       LYS  16  -8.050   6.799  -1.919
  121    H    ARG  17           H        ARG  17  -4.497   4.741   1.339
  122    HA   ARG  17           HA       ARG  17  -3.435   6.466   2.340
  123   1HB   ARG  17          2HB       ARG  17  -5.773   7.305   2.859
  124   2HB   ARG  17          1HB       ARG  17  -5.598   6.544   4.433
  125   1HG   ARG  17          2HG       ARG  17  -3.736   7.942   4.968
  126   2HG   ARG  17          1HG       ARG  17  -3.727   8.616   3.337
  127   1HD   ARG  17          2HD       ARG  17  -5.943   9.560   3.708
  128   2HD   ARG  17          1HD       ARG  17  -5.970   8.876   5.333
  129    HE   ARG  17           HE       ARG  17  -4.734  11.301   4.537
  130   1HH1  ARG  17          1HH1      ARG  17  -4.362   8.585   6.687
  131   2HH1  ARG  17          2HH1      ARG  17  -3.378   9.451   7.819
  132   1HH2  ARG  17          1HH2      ARG  17  -3.442  12.450   6.023
  133   2HH2  ARG  17          2HH2      ARG  17  -2.856  11.649   7.442
  134    H    GLY  18           H        GLY  18  -1.689   6.308   3.580
  135   1HA   GLY  18          2HA       GLY  18  -1.673   5.191   6.181
  136   2HA   GLY  18          1HA       GLY  18  -1.070   4.025   5.011
  137    H    LYS  19           H        LYS  19   0.989   3.936   5.621
  138    HA   LYS  19           HA       LYS  19   2.705   5.759   6.599
  139   1HB   LYS  19          2HB       LYS  19   3.428   3.760   4.461
  140   2HB   LYS  19          1HB       LYS  19   4.539   4.501   5.601
  141   1HG   LYS  19          2HG       LYS  19   2.276   2.639   6.294
  142   2HG   LYS  19          1HG       LYS  19   3.994   2.236   6.272
  143   1HD   LYS  19          2HD       LYS  19   4.404   3.876   8.039
  144   2HD   LYS  19          1HD       LYS  19   2.689   4.293   8.055
  145   1HE   LYS  19          2HE       LYS  19   3.858   1.590   8.703
  146   2HE   LYS  19          1HE       LYS  19   3.260   2.762   9.875
  147   1HZ   LYS  19          1HZ       LYS  19   1.569   1.152   9.503
  148   2HZ   LYS  19          2HZ       LYS  19   1.678   1.317   7.823
  149   3HZ   LYS  19          3HZ       LYS  19   1.064   2.586   8.759
  150    H    GLY  20           H        GLY  20   4.506   6.971   5.604
  151   1HA   GLY  20          2HA       GLY  20   3.655   8.957   3.883
  152   2HA   GLY  20          1HA       GLY  20   5.341   8.537   4.144
  153    H    LYS  21           H        LYS  21   4.715   5.754   3.100
  154    HA   LYS  21           HA       LYS  21   4.336   6.370   0.261
  155   1HB   LYS  21          2HB       LYS  21   6.669   4.794   1.357
  156   2HB   LYS  21          1HB       LYS  21   6.300   5.029  -0.346
  157   1HG   LYS  21          2HG       LYS  21   6.706   7.389  -0.168
  158   2HG   LYS  21          1HG       LYS  21   6.910   7.260   1.579
  159   1HD   LYS  21          2HD       LYS  21   9.077   7.423   0.526
  160   2HD   LYS  21          1HD       LYS  21   8.877   5.810   1.208
  161   1HE   LYS  21          2HE       LYS  21   8.336   6.458  -1.681
  162   2HE   LYS  21          1HE       LYS  21   9.907   5.922  -1.092
  163   1HZ   LYS  21          1HZ       LYS  21   7.577   4.389  -1.661
  164   2HZ   LYS  21          2HZ       LYS  21   8.116   4.111  -0.081
  165   3HZ   LYS  21          3HZ       LYS  21   9.163   3.869  -1.386
  166    H    ASP  22           H        ASP  22   4.489   3.886   2.777
  167    HA   ASP  22           HA       ASP  22   3.600   1.777   1.096
  168   1HB   ASP  22          2HB       ASP  22   3.528   1.905   4.117
  169   2HB   ASP  22          1HB       ASP  22   3.384   0.458   3.131
  170    H    VAL  23           H        VAL  23   1.904   3.369   0.309
  171    HA   VAL  23           HA       VAL  23  -0.600   3.378   1.807
  172    HB   VAL  23           HB       VAL  23  -0.174   4.155  -1.046
  173   1HG1  VAL  23          1HG1      VAL  23  -2.488   3.904  -0.024
  174   2HG1  VAL  23          2HG1      VAL  23  -2.139   5.426  -0.843
  175   3HG1  VAL  23          3HG1      VAL  23  -2.106   5.345   0.919
  176   1HG2  VAL  23          1HG2      VAL  23   0.066   6.526  -0.093
  177   2HG2  VAL  23          2HG2      VAL  23   1.465   5.456   0.010
  178   3HG2  VAL  23          3HG2      VAL  23   0.457   5.729   1.431
  179    H    GLU  24           H        GLU  24  -2.441   2.272   1.137
  180    HA   GLU  24           HA       GLU  24  -2.328   0.584  -1.159
  181   1HB   GLU  24          2HB       GLU  24  -3.098  -1.359   0.589
  182   2HB   GLU  24          1HB       GLU  24  -1.491  -1.184  -0.066
  183   1HG   GLU  24          2HG       GLU  24  -2.088   0.355   2.350
  184   2HG   GLU  24          1HG       GLU  24  -1.973  -1.392   2.540
  185    H    TYR  25           H        TYR  25  -4.162  -0.340  -1.807
  186    HA   TYR  25           HA       TYR  25  -6.641   0.649  -0.592
  187   1HB   TYR  25          2HB       TYR  25  -5.997   0.559  -3.561
  188   2HB   TYR  25          1HB       TYR  25  -7.489   1.149  -2.817
  189    HD1  TYR  25           1HD      TYR  25  -3.834   1.676  -2.426
  190    HD2  TYR  25           2HD      TYR  25  -7.699   3.360  -2.638
  191    HE1  TYR  25           1HE      TYR  25  -2.863   3.836  -2.059
  192    HE2  TYR  25           2HE      TYR  25  -6.716   5.587  -2.324
  193    HH   TYR  25           HH       TYR  25  -3.363   6.198  -2.505
  194    H    LEU  26           H        LEU  26  -8.099  -0.792  -0.273
  195    HA   LEU  26           HA       LEU  26  -9.164  -2.775  -1.691
  196   1HB   LEU  26          2HB       LEU  26  -6.506  -3.554  -0.741
  197   2HB   LEU  26          1HB       LEU  26  -7.737  -4.770  -0.561
  198    HG   LEU  26           HG       LEU  26  -6.139  -4.051  -2.857
  199   1HD1  LEU  26          1HD1      LEU  26  -7.593  -6.307  -1.782
  200   2HD1  LEU  26          2HD1      LEU  26  -6.093  -6.246  -2.710
  201   3HD1  LEU  26          3HD1      LEU  26  -7.647  -6.222  -3.543
  202   1HD2  LEU  26          1HD2      LEU  26  -7.814  -2.797  -3.848
  203   2HD2  LEU  26          2HD2      LEU  26  -9.104  -3.808  -3.220
  204   3HD2  LEU  26          3HD2      LEU  26  -8.072  -4.404  -4.511
  205    H    VAL  27           H        VAL  27 -10.682  -1.852  -0.115
  206    HA   VAL  27           HA       VAL  27 -10.606  -3.372   2.367
  207    HB   VAL  27           HB       VAL  27 -11.179  -0.458   2.293
  208   1HG1  VAL  27          1HG1      VAL  27 -10.784  -0.974   4.875
  209   2HG1  VAL  27          2HG1      VAL  27 -11.417  -2.541   4.376
  210   3HG1  VAL  27          3HG1      VAL  27 -12.372  -1.080   4.121
  211   1HG2  VAL  27          1HG2      VAL  27  -8.757  -1.160   1.953
  212   2HG2  VAL  27          2HG2      VAL  27  -8.822  -1.753   3.611
  213   3HG2  VAL  27          3HG2      VAL  27  -9.085  -0.045   3.276
  214    H    ARG  28           H        ARG  28 -12.237  -3.677  -0.019
  215    HA   ARG  28           HA       ARG  28 -14.877  -2.999   1.065
  216   1HB   ARG  28          2HB       ARG  28 -15.307  -3.238  -1.609
  217   2HB   ARG  28          1HB       ARG  28 -15.075  -1.734  -0.748
  218   1HG   ARG  28          2HG       ARG  28 -13.704  -1.625  -2.628
  219   2HG   ARG  28          1HG       ARG  28 -12.610  -1.974  -1.323
  220   1HD   ARG  28          2HD       ARG  28 -13.607  -4.358  -2.522
  221   2HD   ARG  28          1HD       ARG  28 -12.830  -3.374  -3.686
  222    HE   ARG  28           HE       ARG  28 -11.153  -3.536  -1.486
  223   1HH1  ARG  28          1HH1      ARG  28 -12.424  -5.567  -3.991
  224   2HH1  ARG  28          2HH1      ARG  28 -11.123  -6.693  -3.935
  225   1HH2  ARG  28          1HH2      ARG  28  -9.468  -5.063  -1.373
  226   2HH2  ARG  28          2HH2      ARG  28  -9.453  -6.401  -2.464
  227    H    TRP  29           H        TRP  29 -13.227  -5.235  -1.015
  228    HA   TRP  29           HA       TRP  29 -15.281  -6.829  -1.639
  229   1HB   TRP  29          2HB       TRP  29 -13.583  -8.619  -1.998
  230   2HB   TRP  29          1HB       TRP  29 -13.268  -7.093  -2.795
  231    HD1  TRP  29           HD       TRP  29 -10.914  -8.939  -2.655
  232    HE1  TRP  29           1HE      TRP  29  -8.838  -8.545  -1.203
  233    HE3  TRP  29           3HE      TRP  29 -12.867  -5.664   0.831
  234    HZ2  TRP  29           2HZ      TRP  29  -8.087  -7.062   1.068
  235    HZ3  TRP  29           3HZ      TRP  29 -11.425  -4.858   2.585
  236    HH2  TRP  29           HH       TRP  29  -9.082  -5.519   2.703
  237    H    LYS  30           H        LYS  30 -13.083  -8.445   0.371
  238    HA   LYS  30           HA       LYS  30 -15.210  -9.691   1.814
  239   1HB   LYS  30          2HB       LYS  30 -12.290 -10.280   1.508
  240   2HB   LYS  30          1HB       LYS  30 -13.198 -11.015   2.822
  241   1HG   LYS  30          2HG       LYS  30 -13.170 -12.565   1.039
  242   2HG   LYS  30          1HG       LYS  30 -14.797 -11.890   1.107
  243   1HD   LYS  30          2HD       LYS  30 -14.104 -12.021  -1.191
  244   2HD   LYS  30          1HD       LYS  30 -14.167 -10.323  -0.713
  245   1HE   LYS  30          2HE       LYS  30 -11.795 -10.220  -0.501
  246   2HE   LYS  30          1HE       LYS  30 -11.644 -11.966  -0.688
  247   1HZ   LYS  30          1HZ       LYS  30 -11.061 -10.902  -2.734
  248   2HZ   LYS  30          2HZ       LYS  30 -12.508 -10.030  -2.767
  249   3HZ   LYS  30          3HZ       LYS  30 -12.530 -11.709  -2.961
  250    H    ASP  31           H        ASP  31 -12.129  -9.241   3.379
  251    HA   ASP  31           HA       ASP  31 -11.637  -8.518   5.470
  252   1HB   ASP  31          2HB       ASP  31 -11.853  -6.123   5.710
  253   2HB   ASP  31          1HB       ASP  31 -11.483  -6.505   4.034
  254    H    GLY  32           H        GLY  32 -12.992  -6.647   7.116
  255   1HA   GLY  32          2HA       GLY  32 -15.591  -6.905   7.756
  256   2HA   GLY  32          1HA       GLY  32 -14.913  -8.420   8.346
  257    H    GLY  33           H        GLY  33 -14.146  -8.426  10.357
  258   1HA   GLY  33          2HA       GLY  33 -14.216  -6.172  12.027
  259   2HA   GLY  33          1HA       GLY  33 -13.364  -7.672  12.384
  260    H    ASP  34           H        ASP  34 -11.773  -7.384   9.880
  261    HA   ASP  34           HA       ASP  34 -10.065  -5.100  10.558
  262   1HB   ASP  34          2HB       ASP  34  -9.116  -7.058  11.696
  263   2HB   ASP  34          1HB       ASP  34  -9.082  -7.932  10.166
  264    H    CYS  35           H        CYS  35  -8.766  -4.334   8.860
  265    HA   CYS  35           HA       CYS  35  -9.853  -4.843   6.230
  266   1HB   CYS  35          2HB       CYS  35  -7.730  -2.906   7.160
  267   2HB   CYS  35          1HB       CYS  35  -8.406  -2.956   5.535
  268    HG   CYS  35           HG       CYS  35 -10.607  -2.608   8.070
  269    H    GLU  36           H        GLU  36  -8.858  -5.815   4.544
  270    HA   GLU  36           HA       GLU  36  -6.281  -7.149   5.061
  271   1HB   GLU  36          2HB       GLU  36  -8.022  -7.938   2.798
  272   2HB   GLU  36          1HB       GLU  36  -6.992  -8.943   3.807
  273   1HG   GLU  36          2HG       GLU  36  -9.651  -7.780   4.635
  274   2HG   GLU  36          1HG       GLU  36  -9.367  -9.445   4.114
  275    H    TRP  37           H        TRP  37  -7.118  -4.442   3.755
  276    HA   TRP  37           HA       TRP  37  -6.619  -4.349   1.091
  277   1HB   TRP  37          2HB       TRP  37  -6.363  -2.082   1.342
  278   2HB   TRP  37          1HB       TRP  37  -7.319  -2.536   2.732
  279    HD1  TRP  37           HD       TRP  37  -4.330  -0.654   1.786
  280    HE1  TRP  37           1HE      TRP  37  -2.994   0.055   3.891
  281    HE3  TRP  37           3HE      TRP  37  -6.577  -3.607   5.309
  282    HZ2  TRP  37           2HZ      TRP  37  -2.903  -0.578   6.612
  283    HZ3  TRP  37           3HZ      TRP  37  -5.801  -3.504   7.622
  284    HH2  TRP  37           HH       TRP  37  -3.991  -2.009   8.267
  285    H    VAL  38           H        VAL  38  -4.972  -4.543  -0.254
  286    HA   VAL  38           HA       VAL  38  -2.348  -5.081   0.861
  287    HB   VAL  38           HB       VAL  38  -1.852  -6.173  -1.262
  288   1HG1  VAL  38          1HG1      VAL  38  -3.440  -7.114   0.750
  289   2HG1  VAL  38          2HG1      VAL  38  -2.752  -8.091  -0.547
  290   3HG1  VAL  38          3HG1      VAL  38  -4.397  -7.472  -0.687
  291   1HG2  VAL  38          1HG2      VAL  38  -4.185  -6.575  -2.577
  292   2HG2  VAL  38          2HG2      VAL  38  -2.979  -5.371  -3.029
  293   3HG2  VAL  38          3HG2      VAL  38  -4.369  -4.902  -2.053
  294    H    LYS  39           H        LYS  39  -0.452  -4.387  -0.468
  295    HA   LYS  39           HA       LYS  39   0.191  -1.864  -0.669
  296   1HB   LYS  39          2HB       LYS  39   0.833  -4.056  -2.598
  297   2HB   LYS  39          1HB       LYS  39   1.416  -2.429  -2.922
  298   1HG   LYS  39          2HG       LYS  39   3.096  -3.764  -1.783
  299   2HG   LYS  39          1HG       LYS  39   2.581  -2.404  -0.785
  300   1HD   LYS  39          2HD       LYS  39   1.137  -3.880   0.505
  301   2HD   LYS  39          1HD       LYS  39   1.598  -5.244  -0.517
  302   1HE   LYS  39          2HE       LYS  39   3.920  -5.001   0.216
  303   2HE   LYS  39          1HE       LYS  39   3.456  -3.637   1.233
  304   1HZ   LYS  39          1HZ       LYS  39   2.541  -4.981   2.774
  305   2HZ   LYS  39          2HZ       LYS  39   3.602  -6.126   2.124
  306   3HZ   LYS  39          3HZ       LYS  39   1.980  -6.109   1.643
  307    H    GLY  40           H        GLY  40  -0.136  -0.025  -1.735
  308   1HA   GLY  40          2HA       GLY  40  -2.499   0.188  -3.363
  309   2HA   GLY  40          1HA       GLY  40  -1.468   1.503  -2.838
  310    H    VAL  41           H        VAL  41   0.926   0.982  -3.860
  311    HA   VAL  41           HA       VAL  41   0.936   1.964  -6.384
  312    HB   VAL  41           HB       VAL  41   2.902   0.003  -5.211
  313   1HG1  VAL  41          1HG1      VAL  41   4.329   1.535  -6.962
  314   2HG1  VAL  41          2HG1      VAL  41   2.813   1.307  -7.833
  315   3HG1  VAL  41          3HG1      VAL  41   3.740  -0.094  -7.295
  316   1HG2  VAL  41          1HG2      VAL  41   4.225   2.074  -4.791
  317   2HG2  VAL  41          2HG2      VAL  41   2.728   1.963  -3.865
  318   3HG2  VAL  41          3HG2      VAL  41   2.812   3.008  -5.283
  319    H    HIS  42           H        HIS  42   0.686  -1.413  -5.455
  320    HA   HIS  42           HA       HIS  42   0.543  -2.347  -8.181
  321   1HB   HIS  42          2HB       HIS  42  -0.040  -3.770  -5.570
  322   2HB   HIS  42          1HB       HIS  42   0.059  -4.542  -7.148
  323    HD1  HIS  42           1HD      HIS  42   2.576  -3.839  -8.347
  324    HD2  HIS  42           2HD      HIS  42   2.256  -4.147  -4.216
  325    HE1  HIS  42           1HE      HIS  42   4.922  -4.199  -7.516
  326    HE2  HIS  42           2HE      HIS  42   4.712  -4.296  -5.007
  327    H    VAL  43           H        VAL  43  -1.606  -1.653  -5.495
  328    HA   VAL  43           HA       VAL  43  -3.960  -2.360  -7.058
  329    HB   VAL  43           HB       VAL  43  -3.853  -1.329  -4.196
  330   1HG1  VAL  43          1HG1      VAL  43  -5.983  -1.861  -6.070
  331   2HG1  VAL  43          2HG1      VAL  43  -6.064  -1.194  -4.441
  332   3HG1  VAL  43          3HG1      VAL  43  -6.097  -2.942  -4.682
  333   1HG2  VAL  43          1HG2      VAL  43  -3.779  -3.515  -3.436
  334   2HG2  VAL  43          2HG2      VAL  43  -2.688  -3.587  -4.820
  335   3HG2  VAL  43          3HG2      VAL  43  -4.339  -4.188  -4.967
  336    H    ALA  44           H        ALA  44  -2.477  -0.124  -8.029
  337    HA   ALA  44           HA       ALA  44  -2.770   2.030  -8.743
  338   1HB   ALA  44          1HB       ALA  44  -5.130   0.731  -9.088
  339   2HB   ALA  44          2HB       ALA  44  -4.787   2.362  -9.662
  340   3HB   ALA  44          3HB       ALA  44  -5.634   2.126  -8.134
  341    H    GLU  45           H        GLU  45  -1.630   2.349  -6.499
  342    HA   GLU  45           HA       GLU  45  -3.014   3.384  -4.325
  343   1HB   GLU  45          2HB       GLU  45  -0.707   2.852  -4.029
  344   2HB   GLU  45          1HB       GLU  45  -0.213   3.936  -5.313
  345   1HG   GLU  45          2HG       GLU  45  -1.039   5.814  -3.866
  346   2HG   GLU  45          1HG       GLU  45  -1.237   4.639  -2.581
  347    H    ASP  46           H        ASP  46  -1.642   5.077  -7.124
  348    HA   ASP  46           HA       ASP  46  -2.631   7.625  -6.201
  349   1HB   ASP  46          2HB       ASP  46  -1.279   6.861  -8.791
  350   2HB   ASP  46          1HB       ASP  46  -1.628   8.507  -8.273
  351    H    VAL  47           H        VAL  47  -4.517   5.332  -7.077
  352    HA   VAL  47           HA       VAL  47  -6.031   6.951  -9.035
  353    HB   VAL  47           HB       VAL  47  -6.116   3.947  -8.620
  354   1HG1  VAL  47          1HG1      VAL  47  -7.461   4.066 -10.781
  355   2HG1  VAL  47          2HG1      VAL  47  -7.642   5.788 -10.451
  356   3HG1  VAL  47          3HG1      VAL  47  -8.274   4.601  -9.310
  357   1HG2  VAL  47          1HG2      VAL  47  -5.150   3.874 -10.913
  358   2HG2  VAL  47          2HG2      VAL  47  -4.066   4.566  -9.708
  359   3HG2  VAL  47          3HG2      VAL  47  -4.923   5.621 -10.832
  360    H    ALA  48           H        ALA  48  -6.394   4.680  -6.320
  361    HA   ALA  48           HA       ALA  48  -9.126   5.577  -5.954
  362   1HB   ALA  48          1HB       ALA  48  -7.444   3.437  -4.758
  363   2HB   ALA  48          2HB       ALA  48  -9.005   3.329  -5.563
  364   3HB   ALA  48          3HB       ALA  48  -8.907   3.971  -3.926
  365    H    LYS  49           H        LYS  49  -6.036   6.532  -4.895
  366    HA   LYS  49           HA       LYS  49  -6.385   7.421  -2.301
  367   1HB   LYS  49          2HB       LYS  49  -4.687   9.089  -2.762
  368   2HB   LYS  49          1HB       LYS  49  -4.262   7.588  -3.571
  369   1HG   LYS  49          2HG       LYS  49  -4.983   8.448  -5.685
  370   2HG   LYS  49          1HG       LYS  49  -5.623   9.904  -4.923
  371   1HD   LYS  49          2HD       LYS  49  -2.720   9.081  -4.929
  372   2HD   LYS  49          1HD       LYS  49  -3.436  10.277  -6.012
  373   1HE   LYS  49          2HE       LYS  49  -4.081  11.625  -4.056
  374   2HE   LYS  49          1HE       LYS  49  -3.311  10.441  -3.001
  375   1HZ   LYS  49          1HZ       LYS  49  -1.786  11.749  -5.160
  376   2HZ   LYS  49          2HZ       LYS  49  -1.212  11.023  -3.745
  377   3HZ   LYS  49          3HZ       LYS  49  -1.998  12.518  -3.667
  378    H    ASP  50           H        ASP  50  -7.599   8.685  -5.276
  379    HA   ASP  50           HA       ASP  50  -8.742  11.011  -3.962
  380   1HB   ASP  50          2HB       ASP  50  -8.442  10.113  -6.796
  381   2HB   ASP  50          1HB       ASP  50  -9.447  11.504  -6.383
  382    H    TYR  51           H        TYR  51  -9.668   8.276  -3.484
  383    HA   TYR  51           HA       TYR  51 -12.411   8.435  -4.500
  384   1HB   TYR  51          2HB       TYR  51 -11.093   6.382  -5.009
  385   2HB   TYR  51          1HB       TYR  51 -11.028   6.101  -3.278
  386    HD1  TYR  51           1HD      TYR  51 -12.736   5.284  -6.192
  387    HD2  TYR  51           2HD      TYR  51 -13.442   6.156  -2.091
  388    HE1  TYR  51           1HE      TYR  51 -14.932   4.188  -6.341
  389    HE2  TYR  51           2HE      TYR  51 -15.650   5.088  -2.233
  390    HH   TYR  51           HH       TYR  51 -16.567   3.133  -4.862
  391    H    GLU  52           H        GLU  52 -10.600   7.438  -1.676
  392    HA   GLU  52           HA       GLU  52 -12.919   7.684   0.078
  393   1HB   GLU  52          2HB       GLU  52 -11.087   5.859   0.099
  394   2HB   GLU  52          1HB       GLU  52 -10.111   7.049   0.934
  395   1HG   GLU  52          2HG       GLU  52 -12.821   6.372   1.970
  396   2HG   GLU  52          1HG       GLU  52 -11.455   5.307   2.293
  397    H    ASP  53           H        ASP  53  -9.625   8.824   0.053
  398    HA   ASP  53           HA       ASP  53  -9.344  10.536   2.047
  399   1HB   ASP  53          2HB       ASP  53  -7.764  10.104   0.109
  400   2HB   ASP  53          1HB       ASP  53  -8.636  11.362  -0.771
  401    H    GLY  54           H        GLY  54 -11.332  11.157  -0.786
  402   1HA   GLY  54          2HA       GLY  54 -12.072  13.816   0.164
  403   2HA   GLY  54          1HA       GLY  54 -12.601  13.058  -1.336
  404    H    LEU  55           H        LEU  55 -13.629  10.694  -0.497
  405    HA   LEU  55           HA       LEU  55 -16.179  11.424   0.515
  406   1HB   LEU  55          2HB       LEU  55 -14.916   8.718   0.083
  407   2HB   LEU  55          1HB       LEU  55 -16.600   8.966   0.508
  408    HG   LEU  55           HG       LEU  55 -15.252   9.907  -2.025
  409   1HD1  LEU  55          1HD1      LEU  55 -15.587   7.769  -2.606
  410   2HD1  LEU  55          2HD1      LEU  55 -17.277   8.249  -2.752
  411   3HD1  LEU  55          3HD1      LEU  55 -16.704   7.476  -1.274
  412   1HD2  LEU  55          1HD2      LEU  55 -18.027  10.286  -0.945
  413   2HD2  LEU  55          2HD2      LEU  55 -17.680  10.355  -2.673
  414   3HD2  LEU  55          3HD2      LEU  55 -16.911  11.498  -1.573
  415    H    GLU  56           H        GLU  56 -14.732   8.589   1.982
  416    HA   GLU  56           HA       GLU  56 -15.557   9.407   4.571
  417   1HB   GLU  56          2HB       GLU  56 -15.491   7.051   3.871
  418   2HB   GLU  56          1HB       GLU  56 -13.742   7.136   3.744
  419   1HG   GLU  56          2HG       GLU  56 -14.418   6.040   5.795
  420   2HG   GLU  56          1HG       GLU  56 -13.582   7.547   6.145
  421    H    TYR  57           H        TYR  57 -14.168  11.526   4.115
  422    HA   TYR  57           HA       TYR  57 -11.384  11.453   4.450
  423   1HB   TYR  57          2HB       TYR  57 -12.569  13.437   3.622
  424   2HB   TYR  57          1HB       TYR  57 -13.322  13.655   5.198
  425    HD1  TYR  57           1HD      TYR  57  -9.792  12.834   4.322
  426    HD2  TYR  57           2HD      TYR  57 -12.477  15.657   6.031
  427    HE1  TYR  57           1HE      TYR  57  -7.883  14.207   5.038
  428    HE2  TYR  57           2HE      TYR  57 -10.575  17.038   6.750
  429    HH   TYR  57           HH       TYR  57  -7.280  15.916   6.479
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1 -21.324   8.939  10.066
    2   2H    GLY   1          2HT       GLY   1 -21.388  10.620  10.248
    3   3H    GLY   1          3HT       GLY   1 -19.893   9.834  10.172
    4   1HA   GLY   1          1HA       GLY   1 -21.482  10.838   8.063
    5   2HA   GLY   1          2HA       GLY   1 -19.845  10.199   8.004
    6    H    SER   2           H        SER   2 -20.232   7.580   8.753
    7    HA   SER   2           HA       SER   2 -20.771   5.539   7.904
    8   1HB   SER   2          2HB       SER   2 -23.041   6.112   8.624
    9   2HB   SER   2          1HB       SER   2 -23.326   6.951   7.099
   10    HG   SER   2           HG       SER   2 -24.146   4.768   7.179
   11    H    GLN   3           H        GLN   3 -19.029   6.775   6.343
   12    HA   GLN   3           HA       GLN   3 -18.124   6.744   4.256
   13   1HB   GLN   3          2HB       GLN   3 -20.553   5.090   3.547
   14   2HB   GLN   3          1HB       GLN   3 -19.116   5.271   2.553
   15   1HG   GLN   3          2HG       GLN   3 -19.030   3.162   3.677
   16   2HG   GLN   3          1HG       GLN   3 -17.787   4.216   4.347
   17   1HE2  GLN   3          1HE2      GLN   3 -17.603   4.051   6.453
   18   2HE2  GLN   3          2HE2      GLN   3 -18.878   3.727   7.573
   19    H    VAL   4           H        VAL   4 -18.142   8.148   2.494
   20    HA   VAL   4           HA       VAL   4 -20.181  10.121   2.490
   21    HB   VAL   4           HB       VAL   4 -17.964   9.665   0.467
   22   1HG1  VAL   4          1HG1      VAL   4 -18.456  12.213   0.141
   23   2HG1  VAL   4          2HG1      VAL   4 -20.054  11.782   0.751
   24   3HG1  VAL   4          3HG1      VAL   4 -19.427  11.007  -0.703
   25   1HG2  VAL   4          1HG2      VAL   4 -17.027  11.697   1.703
   26   2HG2  VAL   4          2HG2      VAL   4 -16.945  10.138   2.525
   27   3HG2  VAL   4          3HG2      VAL   4 -18.186  11.308   2.973
   28    H    PHE   5           H        PHE   5 -19.148   8.647  -0.541
   29    HA   PHE   5           HA       PHE   5 -21.703   8.787  -1.638
   30   1HB   PHE   5          2HB       PHE   5 -19.460   8.844  -2.822
   31   2HB   PHE   5          1HB       PHE   5 -19.386   7.101  -2.604
   32    HD1  PHE   5           1HD      PHE   5 -22.355   9.159  -3.448
   33    HD2  PHE   5           2HD      PHE   5 -19.497   6.307  -4.792
   34    HE1  PHE   5           1HE      PHE   5 -23.646   8.848  -5.519
   35    HE2  PHE   5           2HE      PHE   5 -20.782   5.991  -6.865
   36    HZ   PHE   5           HZ       PHE   5 -22.860   7.262  -7.233
   37    H    GLU   6           H        GLU   6 -20.796   5.786  -2.595
   38    HA   GLU   6           HA       GLU   6 -22.710   4.490  -0.848
   39   1HB   GLU   6          2HB       GLU   6 -21.483   3.831  -3.506
   40   2HB   GLU   6          1HB       GLU   6 -22.456   2.665  -2.614
   41   1HG   GLU   6          2HG       GLU   6 -23.375   5.364  -3.584
   42   2HG   GLU   6          1HG       GLU   6 -23.753   3.815  -4.334
   43    H    TYR   7           H        TYR   7 -19.531   3.975  -2.256
   44    HA   TYR   7           HA       TYR   7 -17.805   2.618  -1.764
   45   1HB   TYR   7          2HB       TYR   7 -18.320   4.340   0.441
   46   2HB   TYR   7          1HB       TYR   7 -17.705   2.809   1.059
   47    HD1  TYR   7           1HD      TYR   7 -15.777   1.930  -0.868
   48    HD2  TYR   7           2HD      TYR   7 -16.600   5.905   0.427
   49    HE1  TYR   7           1HE      TYR   7 -13.489   2.595  -1.470
   50    HE2  TYR   7           2HE      TYR   7 -14.307   6.591  -0.209
   51    HH   TYR   7           HH       TYR   7 -11.880   4.291  -0.972
   52    H    ALA   8           H        ALA   8 -19.940   1.025  -2.160
   53    HA   ALA   8           HA       ALA   8 -19.588  -1.087  -0.147
   54   1HB   ALA   8          1HB       ALA   8 -22.120  -0.648  -1.731
   55   2HB   ALA   8          2HB       ALA   8 -21.883  -0.019  -0.102
   56   3HB   ALA   8          3HB       ALA   8 -21.868  -1.758  -0.386
   57    H    GLU   9           H        GLU   9 -17.967  -0.671  -2.372
   58    HA   GLU   9           HA       GLU   9 -18.743  -1.933  -4.668
   59   1HB   GLU   9          2HB       GLU   9 -16.208  -2.235  -4.910
   60   2HB   GLU   9          1HB       GLU   9 -16.904  -0.646  -5.002
   61   1HG   GLU   9          2HG       GLU   9 -15.831  -1.679  -2.397
   62   2HG   GLU   9          1HG       GLU   9 -14.760  -1.098  -3.654
   63    H    VAL  10           H        VAL  10 -17.089  -3.178  -1.821
   64    HA   VAL  10           HA       VAL  10 -16.515  -5.290  -1.206
   65    HB   VAL  10           HB       VAL  10 -18.988  -5.209  -1.106
   66   1HG1  VAL  10          1HG1      VAL  10 -19.979  -5.333  -3.123
   67   2HG1  VAL  10          2HG1      VAL  10 -19.971  -7.055  -2.754
   68   3HG1  VAL  10          3HG1      VAL  10 -18.734  -6.377  -3.803
   69   1HG2  VAL  10          1HG2      VAL  10 -19.188  -7.453  -0.402
   70   2HG2  VAL  10          2HG2      VAL  10 -17.495  -7.020  -0.163
   71   3HG2  VAL  10          3HG2      VAL  10 -17.969  -7.996  -1.554
   72    H    ASP  11           H        ASP  11 -15.292  -4.440  -3.408
   73    HA   ASP  11           HA       ASP  11 -14.031  -6.641  -4.479
   74   1HB   ASP  11          2HB       ASP  11 -16.214  -7.156  -5.541
   75   2HB   ASP  11          1HB       ASP  11 -16.146  -5.622  -6.394
   76    H    GLU  12           H        GLU  12 -14.766  -3.235  -4.711
   77    HA   GLU  12           HA       GLU  12 -12.345  -2.785  -6.369
   78   1HB   GLU  12          2HB       GLU  12 -14.724  -0.964  -6.279
   79   2HB   GLU  12          1HB       GLU  12 -13.408  -0.954  -7.449
   80   1HG   GLU  12          2HG       GLU  12 -14.197  -3.123  -8.315
   81   2HG   GLU  12          1HG       GLU  12 -15.548  -3.054  -7.181
   82    H    ILE  13           H        ILE  13 -11.485  -2.737  -4.008
   83    HA   ILE  13           HA       ILE  13 -10.966  -1.760  -2.049
   84    HB   ILE  13           HB       ILE  13 -10.438   0.691  -3.690
   85   1HG1  ILE  13          2HG1      ILE  13  -8.172  -0.328  -4.092
   86   2HG1  ILE  13          1HG1      ILE  13  -8.791  -1.831  -3.440
   87   1HG2  ILE  13          1HG2      ILE  13  -9.780  -0.252  -1.030
   88   2HG2  ILE  13          2HG2      ILE  13  -9.810   1.381  -1.688
   89   3HG2  ILE  13          3HG2      ILE  13  -8.411   0.360  -1.933
   90   1HD1  ILE  13          1HD1      ILE  13  -8.693  -1.382  -6.020
   91   2HD1  ILE  13          2HD1      ILE  13 -10.235  -0.584  -5.708
   92   3HD1  ILE  13          3HD1      ILE  13 -10.023  -2.286  -5.298
   93    H    VAL  14           H        VAL  14 -12.076  -1.019  -0.348
   94    HA   VAL  14           HA       VAL  14 -14.061   1.019  -0.759
   95    HB   VAL  14           HB       VAL  14 -14.098  -1.362   0.776
   96   1HG1  VAL  14          1HG1      VAL  14 -14.555   1.092   2.495
   97   2HG1  VAL  14          2HG1      VAL  14 -13.246  -0.074   2.698
   98   3HG1  VAL  14          3HG1      VAL  14 -14.917  -0.573   2.952
   99   1HG2  VAL  14          1HG2      VAL  14 -16.436  -0.885   1.005
  100   2HG2  VAL  14          2HG2      VAL  14 -15.908  -0.399  -0.602
  101   3HG2  VAL  14          3HG2      VAL  14 -16.167   0.819   0.642
  102    H    GLU  15           H        GLU  15 -10.861   0.556   0.379
  103    HA   GLU  15           HA       GLU  15 -10.960   3.250   1.491
  104   1HB   GLU  15          2HB       GLU  15 -11.061   0.956   3.225
  105   2HB   GLU  15          1HB       GLU  15  -9.558   1.850   3.491
  106   1HG   GLU  15          2HG       GLU  15 -10.843   3.936   3.748
  107   2HG   GLU  15          1HG       GLU  15 -12.334   3.010   3.574
  108    H    LYS  16           H        LYS  16  -8.572   3.418   2.845
  109    HA   LYS  16           HA       LYS  16  -6.348   2.283   1.537
  110   1HB   LYS  16          2HB       LYS  16  -5.727   3.863  -0.040
  111   2HB   LYS  16          1HB       LYS  16  -7.459   3.690  -0.284
  112   1HG   LYS  16          2HG       LYS  16  -5.948   5.975   0.917
  113   2HG   LYS  16          1HG       LYS  16  -7.119   5.980  -0.394
  114   1HD   LYS  16          2HD       LYS  16  -8.936   5.728   1.099
  115   2HD   LYS  16          1HD       LYS  16  -7.890   5.326   2.444
  116   1HE   LYS  16          2HE       LYS  16  -6.865   7.609   2.211
  117   2HE   LYS  16          1HE       LYS  16  -8.155   7.983   1.080
  118   1HZ   LYS  16          1HZ       LYS  16  -9.218   6.883   3.459
  119   2HZ   LYS  16          2HZ       LYS  16  -9.522   8.392   2.753
  120   3HZ   LYS  16          3HZ       LYS  16  -8.227   8.204   3.824
  121    H    ARG  17           H        ARG  17  -4.628   4.583   1.505
  122    HA   ARG  17           HA       ARG  17  -3.445   5.993   2.788
  123   1HB   ARG  17          2HB       ARG  17  -4.594   7.391   4.110
  124   2HB   ARG  17          1HB       ARG  17  -5.996   6.507   3.550
  125   1HG   ARG  17          2HG       ARG  17  -5.779   5.071   5.615
  126   2HG   ARG  17          1HG       ARG  17  -4.553   6.206   6.169
  127   1HD   ARG  17          2HD       ARG  17  -6.158   8.030   6.044
  128   2HD   ARG  17          1HD       ARG  17  -7.390   6.921   5.443
  129    HE   ARG  17           HE       ARG  17  -6.428   5.966   7.900
  130   1HH1  ARG  17          1HH1      ARG  17  -8.310   8.593   6.598
  131   2HH1  ARG  17          2HH1      ARG  17  -9.241   8.814   8.042
  132   1HH2  ARG  17          1HH2      ARG  17  -7.650   6.251   9.809
  133   2HH2  ARG  17          2HH2      ARG  17  -8.864   7.483   9.868
  134    H    GLY  18           H        GLY  18  -1.653   5.407   3.888
  135   1HA   GLY  18          2HA       GLY  18  -1.886   3.746   6.249
  136   2HA   GLY  18          1HA       GLY  18  -1.057   3.000   4.896
  137    H    LYS  19           H        LYS  19   0.892   2.824   5.725
  138    HA   LYS  19           HA       LYS  19   2.280   4.407   7.416
  139   1HB   LYS  19          2HB       LYS  19   3.039   2.498   5.316
  140   2HB   LYS  19          1HB       LYS  19   4.318   3.571   5.865
  141   1HG   LYS  19          2HG       LYS  19   4.417   1.546   7.127
  142   2HG   LYS  19          1HG       LYS  19   3.853   2.836   8.188
  143   1HD   LYS  19          2HD       LYS  19   1.564   2.066   7.952
  144   2HD   LYS  19          1HD       LYS  19   2.077   0.822   6.809
  145   1HE   LYS  19          2HE       LYS  19   2.868   1.032   9.713
  146   2HE   LYS  19          1HE       LYS  19   1.750  -0.139   9.016
  147   1HZ   LYS  19          1HZ       LYS  19   3.507  -1.450   8.757
  148   2HZ   LYS  19          2HZ       LYS  19   4.596  -0.212   9.136
  149   3HZ   LYS  19          3HZ       LYS  19   4.048  -0.397   7.547
  150    H    GLY  20           H        GLY  20   3.871   6.000   7.267
  151   1HA   GLY  20          2HA       GLY  20   3.296   8.213   5.703
  152   2HA   GLY  20          1HA       GLY  20   4.851   7.918   6.471
  153    H    LYS  21           H        LYS  21   5.327   5.452   4.975
  154    HA   LYS  21           HA       LYS  21   5.689   6.541   2.273
  155   1HB   LYS  21          2HB       LYS  21   7.819   6.632   3.602
  156   2HB   LYS  21          1HB       LYS  21   7.746   4.883   3.738
  157   1HG   LYS  21          2HG       LYS  21   9.273   5.574   1.972
  158   2HG   LYS  21          1HG       LYS  21   7.913   4.659   1.326
  159   1HD   LYS  21          2HD       LYS  21   8.312   6.510  -0.133
  160   2HD   LYS  21          1HD       LYS  21   6.819   6.826   0.744
  161   1HE   LYS  21          2HE       LYS  21   9.492   7.918   1.590
  162   2HE   LYS  21          1HE       LYS  21   8.397   8.777   0.510
  163   1HZ   LYS  21          1HZ       LYS  21   6.833   8.070   2.631
  164   2HZ   LYS  21          2HZ       LYS  21   7.490   9.601   2.346
  165   3HZ   LYS  21          3HZ       LYS  21   8.299   8.508   3.352
  166    H    ASP  22           H        ASP  22   3.543   5.016   2.800
  167    HA   ASP  22           HA       ASP  22   3.685   2.977   0.956
  168   1HB   ASP  22          2HB       ASP  22   5.087   1.739   2.473
  169   2HB   ASP  22          1HB       ASP  22   3.949   1.965   3.787
  170    H    VAL  23           H        VAL  23   1.802   3.188   0.218
  171    HA   VAL  23           HA       VAL  23  -0.607   3.356   1.934
  172    HB   VAL  23           HB       VAL  23  -0.453   4.181  -0.947
  173   1HG1  VAL  23          1HG1      VAL  23  -2.332   5.694  -0.169
  174   2HG1  VAL  23          2HG1      VAL  23  -2.315   4.782   1.340
  175   3HG1  VAL  23          3HG1      VAL  23  -2.674   3.966  -0.178
  176   1HG2  VAL  23          1HG2      VAL  23   0.751   6.000  -0.488
  177   2HG2  VAL  23          2HG2      VAL  23   0.946   5.445   1.174
  178   3HG2  VAL  23          3HG2      VAL  23  -0.414   6.480   0.745
  179    H    GLU  24           H        GLU  24  -2.547   2.398   0.912
  180    HA   GLU  24           HA       GLU  24  -2.238   0.581  -1.213
  181   1HB   GLU  24          2HB       GLU  24  -3.113  -1.225   0.756
  182   2HB   GLU  24          1HB       GLU  24  -1.627  -1.264  -0.150
  183   1HG   GLU  24          2HG       GLU  24  -0.425  -0.146   1.528
  184   2HG   GLU  24          1HG       GLU  24  -1.892   0.287   2.391
  185    H    TYR  25           H        TYR  25  -4.043  -0.445  -1.913
  186    HA   TYR  25           HA       TYR  25  -6.583   0.572  -0.862
  187   1HB   TYR  25          2HB       TYR  25  -5.730   0.541  -3.783
  188   2HB   TYR  25          1HB       TYR  25  -7.303   1.058  -3.179
  189    HD1  TYR  25           1HD      TYR  25  -3.696   1.702  -2.667
  190    HD2  TYR  25           2HD      TYR  25  -7.643   3.216  -2.715
  191    HE1  TYR  25           1HE      TYR  25  -2.838   3.984  -2.398
  192    HE2  TYR  25           2HE      TYR  25  -6.831   5.467  -2.483
  193    HH   TYR  25           HH       TYR  25  -3.519   6.277  -2.832
  194    H    LEU  26           H        LEU  26  -7.966  -0.909  -0.445
  195    HA   LEU  26           HA       LEU  26  -9.052  -2.898  -1.867
  196   1HB   LEU  26          2HB       LEU  26  -6.402  -3.662  -0.867
  197   2HB   LEU  26          1HB       LEU  26  -7.649  -4.858  -0.654
  198    HG   LEU  26           HG       LEU  26  -6.108  -4.134  -3.036
  199   1HD1  LEU  26          1HD1      LEU  26  -7.562  -6.535  -3.310
  200   2HD1  LEU  26          2HD1      LEU  26  -6.984  -6.422  -1.648
  201   3HD1  LEU  26          3HD1      LEU  26  -5.845  -6.303  -2.988
  202   1HD2  LEU  26          1HD2      LEU  26  -9.069  -4.072  -3.212
  203   2HD2  LEU  26          2HD2      LEU  26  -8.201  -4.985  -4.436
  204   3HD2  LEU  26          3HD2      LEU  26  -7.851  -3.277  -4.204
  205    H    VAL  27           H        VAL  27 -10.559  -1.813  -0.197
  206    HA   VAL  27           HA       VAL  27 -10.383  -3.396   2.277
  207    HB   VAL  27           HB       VAL  27 -11.122  -0.520   2.175
  208   1HG1  VAL  27          1HG1      VAL  27 -12.056  -0.909   4.159
  209   2HG1  VAL  27          2HG1      VAL  27 -10.429  -1.212   4.774
  210   3HG1  VAL  27          3HG1      VAL  27 -11.418  -2.554   4.199
  211   1HG2  VAL  27          1HG2      VAL  27  -9.013   0.081   2.884
  212   2HG2  VAL  27          2HG2      VAL  27  -8.653  -1.233   1.769
  213   3HG2  VAL  27          3HG2      VAL  27  -8.657  -1.528   3.508
  214    H    ARG  28           H        ARG  28 -12.115  -3.918   0.047
  215    HA   ARG  28           HA       ARG  28 -14.755  -3.292   1.195
  216   1HB   ARG  28          2HB       ARG  28 -15.253  -3.680  -1.457
  217   2HB   ARG  28          1HB       ARG  28 -15.032  -2.123  -0.697
  218   1HG   ARG  28          2HG       ARG  28 -13.654  -2.055  -2.568
  219   2HG   ARG  28          1HG       ARG  28 -12.563  -2.412  -1.265
  220   1HD   ARG  28          2HD       ARG  28 -13.572  -4.795  -2.444
  221   2HD   ARG  28          1HD       ARG  28 -12.819  -3.792  -3.606
  222    HE   ARG  28           HE       ARG  28 -11.104  -3.927  -1.447
  223   1HH1  ARG  28          1HH1      ARG  28 -12.343  -5.964  -3.971
  224   2HH1  ARG  28          2HH1      ARG  28 -11.001  -7.050  -3.937
  225   1HH2  ARG  28          1HH2      ARG  28  -9.344  -5.364  -1.385
  226   2HH2  ARG  28          2HH2      ARG  28  -9.301  -6.711  -2.468
  227    H    TRP  29           H        TRP  29 -13.117  -5.538  -0.889
  228    HA   TRP  29           HA       TRP  29 -15.075  -7.210  -1.470
  229   1HB   TRP  29          2HB       TRP  29 -13.343  -8.998  -1.740
  230   2HB   TRP  29          1HB       TRP  29 -13.078  -7.500  -2.600
  231    HD1  TRP  29           HD       TRP  29 -10.706  -9.312  -2.396
  232    HE1  TRP  29           1HE      TRP  29  -8.607  -8.793  -1.017
  233    HE3  TRP  29           3HE      TRP  29 -12.636  -5.879   0.939
  234    HZ2  TRP  29           2HZ      TRP  29  -7.848  -7.176   1.139
  235    HZ3  TRP  29           3HZ      TRP  29 -11.160  -4.919   2.592
  236    HH2  TRP  29           HH       TRP  29  -8.817  -5.543   2.696
  237    H    LYS  30           H        LYS  30 -12.824  -8.601   0.747
  238    HA   LYS  30           HA       LYS  30 -14.931 -10.135   1.960
  239   1HB   LYS  30          2HB       LYS  30 -12.904 -11.271   1.245
  240   2HB   LYS  30          1HB       LYS  30 -11.939 -10.269   2.321
  241   1HG   LYS  30          2HG       LYS  30 -12.309 -12.492   3.247
  242   2HG   LYS  30          1HG       LYS  30 -13.044 -11.241   4.253
  243   1HD   LYS  30          2HD       LYS  30 -14.515 -13.192   3.977
  244   2HD   LYS  30          1HD       LYS  30 -15.226 -11.724   3.303
  245   1HE   LYS  30          2HE       LYS  30 -15.556 -13.637   1.818
  246   2HE   LYS  30          1HE       LYS  30 -14.543 -12.405   1.066
  247   1HZ   LYS  30          1HZ       LYS  30 -12.806 -13.786   0.974
  248   2HZ   LYS  30          2HZ       LYS  30 -13.936 -15.022   1.202
  249   3HZ   LYS  30          3HZ       LYS  30 -13.074 -14.413   2.523
  250    H    ASP  31           H        ASP  31 -12.339  -8.023   3.100
  251    HA   ASP  31           HA       ASP  31 -12.333  -8.028   5.704
  252   1HB   ASP  31          2HB       ASP  31 -11.885  -5.688   5.779
  253   2HB   ASP  31          1HB       ASP  31 -11.272  -6.303   4.242
  254    H    GLY  32           H        GLY  32 -13.404  -7.432   7.486
  255   1HA   GLY  32          2HA       GLY  32 -16.008  -6.154   7.348
  256   2HA   GLY  32          1HA       GLY  32 -16.010  -7.819   7.923
  257    H    GLY  33           H        GLY  33 -13.889  -8.072   9.458
  258   1HA   GLY  33          2HA       GLY  33 -14.442  -6.261  11.686
  259   2HA   GLY  33          1HA       GLY  33 -13.561  -7.784  11.773
  260    H    ASP  34           H        ASP  34 -11.779  -7.359   9.649
  261    HA   ASP  34           HA       ASP  34 -10.219  -5.016  10.491
  262   1HB   ASP  34          2HB       ASP  34  -9.129  -7.820  10.149
  263   2HB   ASP  34          1HB       ASP  34  -8.160  -6.381  10.449
  264    H    CYS  35           H        CYS  35  -8.785  -4.173   8.910
  265    HA   CYS  35           HA       CYS  35  -9.685  -4.575   6.205
  266   1HB   CYS  35          2HB       CYS  35  -7.487  -2.819   7.309
  267   2HB   CYS  35          1HB       CYS  35  -8.095  -2.764   5.657
  268    HG   CYS  35           HG       CYS  35  -9.017  -0.863   7.951
  269    H    GLU  36           H        GLU  36  -8.721  -5.673   4.587
  270    HA   GLU  36           HA       GLU  36  -6.154  -7.013   5.157
  271   1HB   GLU  36          2HB       GLU  36  -7.916  -7.949   2.971
  272   2HB   GLU  36          1HB       GLU  36  -6.877  -8.885   4.032
  273   1HG   GLU  36          2HG       GLU  36  -9.523  -7.668   4.808
  274   2HG   GLU  36          1HG       GLU  36  -9.260  -9.355   4.362
  275    H    TRP  37           H        TRP  37  -7.097  -4.409   3.672
  276    HA   TRP  37           HA       TRP  37  -6.552  -4.475   1.000
  277   1HB   TRP  37          2HB       TRP  37  -6.462  -2.195   1.124
  278   2HB   TRP  37          1HB       TRP  37  -7.387  -2.628   2.542
  279    HD1  TRP  37           HD       TRP  37  -4.707  -0.508   1.489
  280    HE1  TRP  37           1HE      TRP  37  -3.380   0.439   3.492
  281    HE3  TRP  37           3HE      TRP  37  -6.369  -3.635   5.153
  282    HZ2  TRP  37           2HZ      TRP  37  -3.074  -0.119   6.228
  283    HZ3  TRP  37           3HZ      TRP  37  -5.509  -3.381   7.420
  284    HH2  TRP  37           HH       TRP  37  -3.889  -1.648   7.950
  285    H    VAL  38           H        VAL  38  -4.838  -4.638  -0.285
  286    HA   VAL  38           HA       VAL  38  -2.226  -4.971   0.964
  287    HB   VAL  38           HB       VAL  38  -1.599  -6.099  -1.149
  288   1HG1  VAL  38          1HG1      VAL  38  -3.879  -7.113   0.504
  289   2HG1  VAL  38          2HG1      VAL  38  -2.175  -7.562   0.572
  290   3HG1  VAL  38          3HG1      VAL  38  -3.173  -8.093  -0.781
  291   1HG2  VAL  38          1HG2      VAL  38  -4.064  -4.981  -2.038
  292   2HG2  VAL  38          2HG2      VAL  38  -4.141  -6.738  -2.176
  293   3HG2  VAL  38          3HG2      VAL  38  -2.840  -5.849  -2.967
  294    H    LYS  39           H        LYS  39  -0.330  -4.302  -0.404
  295    HA   LYS  39           HA       LYS  39   0.242  -1.786  -0.646
  296   1HB   LYS  39          2HB       LYS  39   0.900  -3.780  -2.812
  297   2HB   LYS  39          1HB       LYS  39   1.676  -2.212  -2.642
  298   1HG   LYS  39          2HG       LYS  39   2.431  -2.883  -0.383
  299   2HG   LYS  39          1HG       LYS  39   1.744  -4.483  -0.669
  300   1HD   LYS  39          2HD       LYS  39   3.921  -3.169  -2.295
  301   2HD   LYS  39          1HD       LYS  39   4.146  -4.462  -1.114
  302   1HE   LYS  39          2HE       LYS  39   2.753  -5.944  -2.468
  303   2HE   LYS  39          1HE       LYS  39   2.508  -4.652  -3.641
  304   1HZ   LYS  39          1HZ       LYS  39   4.236  -5.714  -4.619
  305   2HZ   LYS  39          2HZ       LYS  39   4.865  -6.307  -3.165
  306   3HZ   LYS  39          3HZ       LYS  39   5.134  -4.696  -3.610
  307    H    GLY  40           H        GLY  40  -0.012   0.022  -1.837
  308   1HA   GLY  40          2HA       GLY  40  -2.432   0.154  -3.421
  309   2HA   GLY  40          1HA       GLY  40  -1.464   1.505  -2.873
  310    H    VAL  41           H        VAL  41   0.977   0.931  -3.864
  311    HA   VAL  41           HA       VAL  41   1.098   2.076  -6.279
  312    HB   VAL  41           HB       VAL  41   2.886  -0.094  -5.214
  313   1HG1  VAL  41          1HG1      VAL  41   4.020  -0.120  -7.136
  314   2HG1  VAL  41          2HG1      VAL  41   4.297   1.615  -6.985
  315   3HG1  VAL  41          3HG1      VAL  41   2.873   1.022  -7.840
  316   1HG2  VAL  41          1HG2      VAL  41   4.346   2.063  -4.938
  317   2HG2  VAL  41          2HG2      VAL  41   3.107   1.651  -3.752
  318   3HG2  VAL  41          3HG2      VAL  41   2.777   2.868  -4.985
  319    H    HIS  42           H        HIS  42   0.851  -1.451  -5.832
  320    HA   HIS  42           HA       HIS  42   0.481  -1.804  -8.668
  321   1HB   HIS  42          2HB       HIS  42   0.330  -4.175  -8.258
  322   2HB   HIS  42          1HB       HIS  42   1.714  -3.515  -7.398
  323    HD1  HIS  42           1HD      HIS  42   0.437  -6.196  -6.608
  324    HD2  HIS  42           2HD      HIS  42  -0.479  -2.552  -4.858
  325    HE1  HIS  42           1HE      HIS  42  -0.492  -6.751  -4.345
  326    HE2  HIS  42           2HE      HIS  42  -1.209  -4.536  -3.392
  327    H    VAL  43           H        VAL  43  -1.492  -1.342  -5.887
  328    HA   VAL  43           HA       VAL  43  -3.890  -2.157  -7.358
  329    HB   VAL  43           HB       VAL  43  -3.713  -1.330  -4.420
  330   1HG1  VAL  43          1HG1      VAL  43  -5.968  -2.875  -4.843
  331   2HG1  VAL  43          2HG1      VAL  43  -5.904  -1.869  -6.290
  332   3HG1  VAL  43          3HG1      VAL  43  -5.933  -1.121  -4.696
  333   1HG2  VAL  43          1HG2      VAL  43  -4.377  -4.109  -5.135
  334   2HG2  VAL  43          2HG2      VAL  43  -3.322  -3.487  -3.869
  335   3HG2  VAL  43          3HG2      VAL  43  -2.724  -3.642  -5.521
  336    H    ALA  44           H        ALA  44  -2.570   0.137  -8.293
  337    HA   ALA  44           HA       ALA  44  -2.942   2.316  -8.879
  338   1HB   ALA  44          1HB       ALA  44  -5.025   2.667  -9.637
  339   2HB   ALA  44          2HB       ALA  44  -5.764   2.306  -8.076
  340   3HB   ALA  44          3HB       ALA  44  -5.288   0.992  -9.150
  341    H    GLU  45           H        GLU  45  -1.654   2.559  -6.719
  342    HA   GLU  45           HA       GLU  45  -2.885   3.441  -4.390
  343   1HB   GLU  45          2HB       GLU  45  -0.512   2.962  -4.416
  344   2HB   GLU  45          1HB       GLU  45  -0.214   4.259  -5.555
  345   1HG   GLU  45          2HG       GLU  45  -1.007   5.851  -3.812
  346   2HG   GLU  45          1HG       GLU  45  -1.085   4.496  -2.696
  347    H    ASP  46           H        ASP  46  -1.566   5.418  -7.053
  348    HA   ASP  46           HA       ASP  46  -2.759   7.808  -5.954
  349   1HB   ASP  46          2HB       ASP  46  -0.485   7.620  -7.145
  350   2HB   ASP  46          1HB       ASP  46  -1.417   7.600  -8.638
  351    H    VAL  47           H        VAL  47  -4.529   5.591  -6.990
  352    HA   VAL  47           HA       VAL  47  -5.987   7.214  -8.974
  353    HB   VAL  47           HB       VAL  47  -6.005   4.199  -8.659
  354   1HG1  VAL  47          1HG1      VAL  47  -7.984   4.326  -9.681
  355   2HG1  VAL  47          2HG1      VAL  47  -7.107   4.861 -11.115
  356   3HG1  VAL  47          3HG1      VAL  47  -7.792   6.048 -10.005
  357   1HG2  VAL  47          1HG2      VAL  47  -4.037   4.447  -9.758
  358   2HG2  VAL  47          2HG2      VAL  47  -4.460   6.039 -10.390
  359   3HG2  VAL  47          3HG2      VAL  47  -5.108   4.587 -11.154
  360    H    ALA  48           H        ALA  48  -6.271   4.950  -6.269
  361    HA   ALA  48           HA       ALA  48  -9.072   5.693  -5.949
  362   1HB   ALA  48          1HB       ALA  48  -8.904   3.434  -5.635
  363   2HB   ALA  48          2HB       ALA  48  -8.796   4.008  -3.974
  364   3HB   ALA  48          3HB       ALA  48  -7.330   3.547  -4.848
  365    H    LYS  49           H        LYS  49  -5.986   6.550  -4.716
  366    HA   LYS  49           HA       LYS  49  -6.535   7.298  -2.104
  367   1HB   LYS  49          2HB       LYS  49  -4.586   8.585  -2.157
  368   2HB   LYS  49          1HB       LYS  49  -4.305   7.365  -3.380
  369   1HG   LYS  49          2HG       LYS  49  -4.849   8.951  -5.133
  370   2HG   LYS  49          1HG       LYS  49  -5.171  10.189  -3.916
  371   1HD   LYS  49          2HD       LYS  49  -2.526   8.795  -4.308
  372   2HD   LYS  49          1HD       LYS  49  -2.925  10.403  -4.917
  373   1HE   LYS  49          2HE       LYS  49  -3.309  11.162  -2.614
  374   2HE   LYS  49          1HE       LYS  49  -2.882   9.558  -2.020
  375   1HZ   LYS  49          1HZ       LYS  49  -0.947  10.811  -1.802
  376   2HZ   LYS  49          2HZ       LYS  49  -1.132  11.562  -3.305
  377   3HZ   LYS  49          3HZ       LYS  49  -0.692   9.932  -3.224
  378    H    ASP  50           H        ASP  50  -6.811   9.282  -5.017
  379    HA   ASP  50           HA       ASP  50  -7.824  11.518  -3.722
  380   1HB   ASP  50          2HB       ASP  50  -7.857  10.554  -6.550
  381   2HB   ASP  50          1HB       ASP  50  -8.709  12.037  -6.116
  382    H    TYR  51           H        TYR  51  -9.391   8.671  -4.878
  383    HA   TYR  51           HA       TYR  51 -12.038   9.591  -4.939
  384   1HB   TYR  51          2HB       TYR  51 -11.384   7.511  -5.962
  385   2HB   TYR  51          1HB       TYR  51 -10.908   6.906  -4.378
  386    HD1  TYR  51           1HD      TYR  51 -13.964   8.516  -5.816
  387    HD2  TYR  51           2HD      TYR  51 -12.356   5.329  -3.502
  388    HE1  TYR  51           1HE      TYR  51 -16.237   7.656  -5.433
  389    HE2  TYR  51           2HE      TYR  51 -14.624   4.449  -3.137
  390    HH   TYR  51           HH       TYR  51 -17.450   6.243  -3.968
  391    H    GLU  52           H        GLU  52 -10.330   7.739  -2.486
  392    HA   GLU  52           HA       GLU  52 -12.498   7.915  -0.612
  393   1HB   GLU  52          2HB       GLU  52 -10.651   6.071  -1.000
  394   2HB   GLU  52          1HB       GLU  52  -9.754   7.050   0.138
  395   1HG   GLU  52          2HG       GLU  52 -12.502   6.010   0.727
  396   2HG   GLU  52          1HG       GLU  52 -11.036   5.114   1.099
  397    H    ASP  53           H        ASP  53  -9.101   8.767  -0.379
  398    HA   ASP  53           HA       ASP  53  -8.751  10.072   1.862
  399   1HB   ASP  53          2HB       ASP  53  -6.983  11.257   0.879
  400   2HB   ASP  53          1HB       ASP  53  -7.218   9.883  -0.210
  401    H    GLY  54           H        GLY  54 -10.456  11.550  -0.865
  402   1HA   GLY  54          2HA       GLY  54 -11.010  13.969   0.646
  403   2HA   GLY  54          1HA       GLY  54 -11.524  13.623  -1.000
  404    H    LEU  55           H        LEU  55 -12.876  11.263  -0.712
  405    HA   LEU  55           HA       LEU  55 -15.386  12.119   0.257
  406   1HB   LEU  55          2HB       LEU  55 -14.391   9.388  -0.537
  407   2HB   LEU  55          1HB       LEU  55 -16.066   9.745  -0.153
  408    HG   LEU  55           HG       LEU  55 -14.487  10.977  -2.414
  409   1HD1  LEU  55          1HD1      LEU  55 -16.840   9.366  -3.033
  410   2HD1  LEU  55          2HD1      LEU  55 -15.525   8.448  -2.301
  411   3HD1  LEU  55          3HD1      LEU  55 -15.240   9.374  -3.775
  412   1HD2  LEU  55          1HD2      LEU  55 -17.411  11.222  -1.721
  413   2HD2  LEU  55          2HD2      LEU  55 -16.597  11.943  -3.109
  414   3HD2  LEU  55          3HD2      LEU  55 -16.194  12.475  -1.476
  415    H    GLU  56           H        GLU  56 -14.111   9.009   1.326
  416    HA   GLU  56           HA       GLU  56 -15.189   9.461   3.956
  417   1HB   GLU  56          2HB       GLU  56 -13.670   7.121   2.804
  418   2HB   GLU  56          1HB       GLU  56 -14.371   7.155   4.414
  419   1HG   GLU  56          2HG       GLU  56 -16.584   7.475   3.404
  420   2HG   GLU  56          1HG       GLU  56 -15.854   7.348   1.807
  421    H    TYR  57           H        TYR  57 -13.373  11.388   3.750
  422    HA   TYR  57           HA       TYR  57 -10.717  10.855   4.355
  423   1HB   TYR  57          2HB       TYR  57 -11.444  13.085   3.761
  424   2HB   TYR  57          1HB       TYR  57 -12.456  13.183   5.196
  425    HD1  TYR  57           1HD      TYR  57  -8.954  11.956   4.902
  426    HD2  TYR  57           2HD      TYR  57 -11.557  14.971   6.398
  427    HE1  TYR  57           1HE      TYR  57  -7.080  12.951   6.143
  428    HE2  TYR  57           2HE      TYR  57  -9.689  15.975   7.642
  429    HH   TYR  57           HH       TYR  57  -6.845  14.430   8.256
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1 -23.201   7.775  11.894
    2   2H    GLY   1          2HT       GLY   1 -24.413   6.721  11.362
    3   3H    GLY   1          3HT       GLY   1 -23.975   8.051  10.415
    4   1HA   GLY   1          1HA       GLY   1 -22.186   5.776  11.069
    5   2HA   GLY   1          2HA       GLY   1 -23.066   5.949   9.558
    6    H    SER   2           H        SER   2 -21.560   6.338   8.059
    7    HA   SER   2           HA       SER   2 -20.222   8.831   7.983
    8   1HB   SER   2          2HB       SER   2 -18.739   7.759   9.616
    9   2HB   SER   2          1HB       SER   2 -18.479   6.410   8.511
   10    HG   SER   2           HG       SER   2 -17.480   9.008   8.425
   11    H    GLN   3           H        GLN   3 -17.988   7.842   6.316
   12    HA   GLN   3           HA       GLN   3 -17.555   7.370   4.133
   13   1HB   GLN   3          2HB       GLN   3 -19.999   5.610   4.415
   14   2HB   GLN   3          1HB       GLN   3 -18.886   5.571   3.055
   15   1HG   GLN   3          2HG       GLN   3 -17.084   4.870   4.514
   16   2HG   GLN   3          1HG       GLN   3 -18.154   4.975   5.913
   17   1HE2  GLN   3          1HE2      GLN   3 -18.810   3.075   6.583
   18   2HE2  GLN   3          2HE2      GLN   3 -19.151   1.700   5.594
   19    H    VAL   4           H        VAL   4 -17.987   8.373   2.173
   20    HA   VAL   4           HA       VAL   4 -20.183  10.222   2.192
   21    HB   VAL   4           HB       VAL   4 -18.133   9.675   0.030
   22   1HG1  VAL   4          1HG1      VAL   4 -20.575  11.144  -0.068
   23   2HG1  VAL   4          2HG1      VAL   4 -19.337  10.974  -1.313
   24   3HG1  VAL   4          3HG1      VAL   4 -19.230  12.282  -0.135
   25   1HG2  VAL   4          1HG2      VAL   4 -18.310  11.799   2.165
   26   2HG2  VAL   4          2HG2      VAL   4 -17.157  11.807   0.831
   27   3HG2  VAL   4          3HG2      VAL   4 -17.103  10.520   2.034
   28    H    PHE   5           H        PHE   5 -19.214   8.117  -0.511
   29    HA   PHE   5           HA       PHE   5 -21.848   7.988  -1.488
   30   1HB   PHE   5          2HB       PHE   5 -19.511   7.764  -2.684
   31   2HB   PHE   5          1HB       PHE   5 -19.687   6.060  -2.282
   32    HD1  PHE   5           1HD      PHE   5 -22.238   8.537  -3.369
   33    HD2  PHE   5           2HD      PHE   5 -20.098   4.975  -4.288
   34    HE1  PHE   5           1HE      PHE   5 -23.635   8.218  -5.370
   35    HE2  PHE   5           2HE      PHE   5 -21.492   4.650  -6.290
   36    HZ   PHE   5           HZ       PHE   5 -23.257   6.249  -6.832
   37    H    GLU   6           H        GLU   6 -21.449   5.034  -2.115
   38    HA   GLU   6           HA       GLU   6 -22.876   3.995   0.152
   39   1HB   GLU   6          2HB       GLU   6 -22.142   3.020  -2.580
   40   2HB   GLU   6          1HB       GLU   6 -22.881   1.944  -1.398
   41   1HG   GLU   6          2HG       GLU   6 -24.824   3.425  -1.275
   42   2HG   GLU   6          1HG       GLU   6 -24.074   4.502  -2.451
   43    H    TYR   7           H        TYR   7 -19.937   3.371  -1.655
   44    HA   TYR   7           HA       TYR   7 -17.986   2.383  -1.209
   45   1HB   TYR   7          2HB       TYR   7 -18.766   3.550   1.287
   46   2HB   TYR   7          1HB       TYR   7 -17.880   2.054   1.578
   47    HD1  TYR   7           1HD      TYR   7 -16.071   2.118  -0.837
   48    HD2  TYR   7           2HD      TYR   7 -17.158   5.152   1.951
   49    HE1  TYR   7           1HE      TYR   7 -13.960   3.290  -1.285
   50    HE2  TYR   7           2HE      TYR   7 -15.055   6.332   1.498
   51    HH   TYR   7           HH       TYR   7 -12.604   4.959  -0.644
   52    H    ALA   8           H        ALA   8 -20.050   0.671  -1.857
   53    HA   ALA   8           HA       ALA   8 -19.374  -1.717  -0.275
   54   1HB   ALA   8          1HB       ALA   8 -21.642  -1.463   0.185
   55   2HB   ALA   8          2HB       ALA   8 -21.658  -2.553  -1.201
   56   3HB   ALA   8          3HB       ALA   8 -22.001  -0.837  -1.425
   57    H    GLU   9           H        GLU   9 -17.752  -0.909  -2.301
   58    HA   GLU   9           HA       GLU   9 -18.458  -1.868  -4.807
   59   1HB   GLU   9          2HB       GLU   9 -15.835  -1.905  -4.994
   60   2HB   GLU   9          1HB       GLU   9 -16.754  -0.440  -5.109
   61   1HG   GLU   9          2HG       GLU   9 -15.585  -1.340  -2.484
   62   2HG   GLU   9          1HG       GLU   9 -14.623  -0.494  -3.690
   63    H    VAL  10           H        VAL  10 -16.983  -3.294  -2.024
   64    HA   VAL  10           HA       VAL  10 -16.231  -5.385  -1.555
   65    HB   VAL  10           HB       VAL  10 -18.629  -5.591  -1.601
   66   1HG1  VAL  10          1HG1      VAL  10 -19.538  -7.000  -3.595
   67   2HG1  VAL  10          2HG1      VAL  10 -18.182  -6.282  -4.458
   68   3HG1  VAL  10          3HG1      VAL  10 -19.406  -5.247  -3.728
   69   1HG2  VAL  10          1HG2      VAL  10 -18.627  -8.166  -2.024
   70   2HG2  VAL  10          2HG2      VAL  10 -17.657  -7.484  -0.718
   71   3HG2  VAL  10          3HG2      VAL  10 -16.895  -7.925  -2.246
   72    H    ASP  11           H        ASP  11 -14.683  -4.425  -3.354
   73    HA   ASP  11           HA       ASP  11 -13.068  -6.202  -4.419
   74   1HB   ASP  11          2HB       ASP  11 -15.510  -6.236  -6.107
   75   2HB   ASP  11          1HB       ASP  11 -13.966  -6.275  -6.950
   76    H    GLU  12           H        GLU  12 -14.538  -3.143  -4.793
   77    HA   GLU  12           HA       GLU  12 -12.400  -2.262  -6.651
   78   1HB   GLU  12          2HB       GLU  12 -14.900  -0.719  -6.185
   79   2HB   GLU  12          1HB       GLU  12 -13.842  -0.700  -7.587
   80   1HG   GLU  12          2HG       GLU  12 -14.605  -2.938  -8.200
   81   2HG   GLU  12          1HG       GLU  12 -15.675  -2.951  -6.801
   82    H    ILE  13           H        ILE  13 -11.718  -2.350  -4.103
   83    HA   ILE  13           HA       ILE  13 -10.943  -1.271  -2.256
   84    HB   ILE  13           HB       ILE  13  -9.826   0.839  -2.608
   85   1HG1  ILE  13          2HG1      ILE  13 -11.684   1.684  -4.257
   86   2HG1  ILE  13          1HG1      ILE  13 -10.027   2.232  -4.448
   87   1HG2  ILE  13          1HG2      ILE  13  -8.892  -1.347  -3.360
   88   2HG2  ILE  13          2HG2      ILE  13  -8.217   0.056  -4.185
   89   3HG2  ILE  13          3HG2      ILE  13  -9.416  -0.947  -4.993
   90   1HD1  ILE  13          1HD1      ILE  13  -9.869   1.344  -6.480
   91   2HD1  ILE  13          2HD1      ILE  13 -11.624   1.181  -6.414
   92   3HD1  ILE  13          3HD1      ILE  13 -10.594  -0.181  -5.968
   93    H    VAL  14           H        VAL  14 -11.740  -0.442  -0.514
   94    HA   VAL  14           HA       VAL  14 -13.965   1.449  -0.691
   95    HB   VAL  14           HB       VAL  14 -13.806  -1.100   0.673
   96   1HG1  VAL  14          1HG1      VAL  14 -14.919  -0.402   2.804
   97   2HG1  VAL  14          2HG1      VAL  14 -14.495   1.269   2.430
   98   3HG1  VAL  14          3HG1      VAL  14 -13.225   0.077   2.707
   99   1HG2  VAL  14          1HG2      VAL  14 -16.163  -0.942   0.736
  100   2HG2  VAL  14          2HG2      VAL  14 -15.637  -0.207  -0.768
  101   3HG2  VAL  14          3HG2      VAL  14 -16.119   0.813   0.581
  102    H    GLU  15           H        GLU  15 -10.890   0.647   0.787
  103    HA   GLU  15           HA       GLU  15 -10.985   3.309   2.004
  104   1HB   GLU  15          2HB       GLU  15 -11.695   1.691   3.718
  105   2HB   GLU  15          1HB       GLU  15 -10.156   0.845   3.560
  106   1HG   GLU  15          2HG       GLU  15  -8.978   2.814   4.335
  107   2HG   GLU  15          1HG       GLU  15 -10.473   3.737   4.374
  108    H    LYS  16           H        LYS  16  -8.768   4.014   2.879
  109    HA   LYS  16           HA       LYS  16  -6.478   2.736   1.614
  110   1HB   LYS  16          2HB       LYS  16  -5.943   4.680   0.266
  111   2HB   LYS  16          1HB       LYS  16  -7.526   4.032  -0.139
  112   1HG   LYS  16          2HG       LYS  16  -8.134   6.188  -0.052
  113   2HG   LYS  16          1HG       LYS  16  -8.280   5.836   1.666
  114   1HD   LYS  16          2HD       LYS  16  -5.741   6.557   1.674
  115   2HD   LYS  16          1HD       LYS  16  -6.222   7.415   0.217
  116   1HE   LYS  16          2HE       LYS  16  -6.424   8.854   2.161
  117   2HE   LYS  16          1HE       LYS  16  -8.009   8.521   1.470
  118   1HZ   LYS  16          1HZ       LYS  16  -8.681   7.558   3.340
  119   2HZ   LYS  16          2HZ       LYS  16  -7.302   8.200   4.080
  120   3HZ   LYS  16          3HZ       LYS  16  -7.279   6.621   3.476
  121    H    ARG  17           H        ARG  17  -4.566   4.528   1.685
  122    HA   ARG  17           HA       ARG  17  -3.263   5.964   2.830
  123   1HB   ARG  17          2HB       ARG  17  -5.396   7.083   3.555
  124   2HB   ARG  17          1HB       ARG  17  -5.341   6.087   5.004
  125   1HG   ARG  17          2HG       ARG  17  -3.258   7.062   5.661
  126   2HG   ARG  17          1HG       ARG  17  -3.160   7.959   4.145
  127   1HD   ARG  17          2HD       ARG  17  -5.147   9.210   4.724
  128   2HD   ARG  17          1HD       ARG  17  -5.334   8.274   6.204
  129    HE   ARG  17           HE       ARG  17  -2.805   9.471   6.231
  130   1HH1  ARG  17          1HH1      ARG  17  -6.167  10.377   6.356
  131   2HH1  ARG  17          2HH1      ARG  17  -5.884  11.794   7.311
  132   1HH2  ARG  17          1HH2      ARG  17  -2.422  11.337   7.497
  133   2HH2  ARG  17          2HH2      ARG  17  -3.757  12.339   7.961
  134    H    GLY  18           H        GLY  18  -1.503   5.267   3.805
  135   1HA   GLY  18          2HA       GLY  18  -1.682   3.628   6.215
  136   2HA   GLY  18          1HA       GLY  18  -0.922   2.873   4.822
  137    H    LYS  19           H        LYS  19   1.090   2.698   5.845
  138    HA   LYS  19           HA       LYS  19   2.429   4.765   7.172
  139   1HB   LYS  19          2HB       LYS  19   3.451   2.343   5.714
  140   2HB   LYS  19          1HB       LYS  19   4.526   3.461   6.532
  141   1HG   LYS  19          2HG       LYS  19   4.035   1.518   7.907
  142   2HG   LYS  19          1HG       LYS  19   3.430   2.998   8.650
  143   1HD   LYS  19          2HD       LYS  19   1.182   2.484   7.870
  144   2HD   LYS  19          1HD       LYS  19   1.778   1.028   7.071
  145   1HE   LYS  19          2HE       LYS  19   1.871   1.585  10.036
  146   2HE   LYS  19          1HE       LYS  19   0.729   0.514   9.225
  147   1HZ   LYS  19          1HZ       LYS  19   2.581  -0.696  10.228
  148   2HZ   LYS  19          2HZ       LYS  19   3.677   0.156   9.263
  149   3HZ   LYS  19          3HZ       LYS  19   2.559  -0.891   8.547
  150    H    GLY  20           H        GLY  20   4.277   6.007   6.503
  151   1HA   GLY  20          2HA       GLY  20   3.873   7.704   4.408
  152   2HA   GLY  20          1HA       GLY  20   5.462   7.370   5.075
  153    H    LYS  21           H        LYS  21   5.584   4.613   4.278
  154    HA   LYS  21           HA       LYS  21   5.645   4.894   1.346
  155   1HB   LYS  21          2HB       LYS  21   7.725   3.551   3.078
  156   2HB   LYS  21          1HB       LYS  21   7.721   3.563   1.321
  157   1HG   LYS  21          2HG       LYS  21   7.931   6.015   1.358
  158   2HG   LYS  21          1HG       LYS  21   8.008   5.960   3.120
  159   1HD   LYS  21          2HD       LYS  21  10.021   4.565   2.983
  160   2HD   LYS  21          1HD       LYS  21   9.939   4.630   1.221
  161   1HE   LYS  21          2HE       LYS  21  10.205   7.070   1.313
  162   2HE   LYS  21          1HE       LYS  21  10.313   6.984   3.071
  163   1HZ   LYS  21          1HZ       LYS  21  12.162   5.235   1.752
  164   2HZ   LYS  21          2HZ       LYS  21  12.437   6.380   2.967
  165   3HZ   LYS  21          3HZ       LYS  21  12.406   6.859   1.345
  166    H    ASP  22           H        ASP  22   3.447   3.783   2.437
  167    HA   ASP  22           HA       ASP  22   3.381   1.241   1.260
  168   1HB   ASP  22          2HB       ASP  22   4.680   0.688   3.345
  169   2HB   ASP  22          1HB       ASP  22   3.246   1.113   4.270
  170    H    VAL  23           H        VAL  23   1.788   2.974   0.597
  171    HA   VAL  23           HA       VAL  23  -0.698   3.051   2.128
  172    HB   VAL  23           HB       VAL  23  -0.270   3.954  -0.689
  173   1HG1  VAL  23          1HG1      VAL  23  -2.308   4.387   1.408
  174   2HG1  VAL  23          2HG1      VAL  23  -2.491   4.225  -0.339
  175   3HG1  VAL  23          3HG1      VAL  23  -1.945   5.754   0.353
  176   1HG2  VAL  23          1HG2      VAL  23   0.271   5.631   1.761
  177   2HG2  VAL  23          2HG2      VAL  23   0.420   6.141   0.080
  178   3HG2  VAL  23          3HG2      VAL  23   1.516   4.922   0.732
  179    H    GLU  24           H        GLU  24  -2.719   2.441   0.908
  180    HA   GLU  24           HA       GLU  24  -2.626   0.811  -1.310
  181   1HB   GLU  24          2HB       GLU  24  -3.101  -1.394  -0.200
  182   2HB   GLU  24          1HB       GLU  24  -1.452  -0.811  -0.127
  183   1HG   GLU  24          2HG       GLU  24  -2.005   0.130   2.144
  184   2HG   GLU  24          1HG       GLU  24  -3.487  -0.807   2.075
  185    H    TYR  25           H        TYR  25  -4.439  -0.102  -1.999
  186    HA   TYR  25           HA       TYR  25  -6.882   0.832  -0.688
  187   1HB   TYR  25          2HB       TYR  25  -6.284   0.851  -3.674
  188   2HB   TYR  25          1HB       TYR  25  -7.771   1.410  -2.880
  189    HD1  TYR  25           1HD      TYR  25  -4.110   1.868  -2.725
  190    HD2  TYR  25           2HD      TYR  25  -7.953   3.581  -2.355
  191    HE1  TYR  25           1HE      TYR  25  -3.064   4.005  -2.288
  192    HE2  TYR  25           2HE      TYR  25  -6.944   5.767  -1.941
  193    HH   TYR  25           HH       TYR  25  -4.290   6.417  -0.905
  194    H    LEU  26           H        LEU  26  -7.935  -0.774  -0.002
  195    HA   LEU  26           HA       LEU  26  -9.379  -2.449  -1.390
  196   1HB   LEU  26          2HB       LEU  26  -8.314  -4.671  -1.290
  197   2HB   LEU  26          1HB       LEU  26  -7.716  -3.547  -2.487
  198    HG   LEU  26           HG       LEU  26  -6.129  -3.297  -0.136
  199   1HD1  LEU  26          1HD1      LEU  26  -6.745  -6.061  -1.096
  200   2HD1  LEU  26          2HD1      LEU  26  -6.553  -5.480   0.553
  201   3HD1  LEU  26          3HD1      LEU  26  -5.152  -5.669  -0.482
  202   1HD2  LEU  26          1HD2      LEU  26  -5.820  -3.851  -3.012
  203   2HD2  LEU  26          2HD2      LEU  26  -4.500  -4.358  -1.961
  204   3HD2  LEU  26          3HD2      LEU  26  -5.007  -2.671  -1.986
  205    H    VAL  27           H        VAL  27 -10.713  -1.845   0.150
  206    HA   VAL  27           HA       VAL  27 -10.618  -3.513   2.494
  207    HB   VAL  27           HB       VAL  27 -11.071  -0.560   2.642
  208   1HG1  VAL  27          1HG1      VAL  27 -12.037  -2.589   4.317
  209   2HG1  VAL  27          2HG1      VAL  27 -12.028  -0.855   4.631
  210   3HG1  VAL  27          3HG1      VAL  27 -10.684  -1.857   5.179
  211   1HG2  VAL  27          1HG2      VAL  27  -9.011  -1.058   4.308
  212   2HG2  VAL  27          2HG2      VAL  27  -8.819  -0.585   2.620
  213   3HG2  VAL  27          3HG2      VAL  27  -8.724  -2.285   3.074
  214    H    ARG  28           H        ARG  28 -12.104  -3.728   0.207
  215    HA   ARG  28           HA       ARG  28 -14.822  -2.967   0.973
  216   1HB   ARG  28          2HB       ARG  28 -14.984  -3.473  -1.694
  217   2HB   ARG  28          1HB       ARG  28 -14.756  -1.912  -0.960
  218   1HG   ARG  28          2HG       ARG  28 -13.282  -2.277  -2.822
  219   2HG   ARG  28          1HG       ARG  28 -12.394  -1.998  -1.353
  220   1HD   ARG  28          2HD       ARG  28 -11.955  -4.444  -1.216
  221   2HD   ARG  28          1HD       ARG  28 -12.811  -4.653  -2.707
  222    HE   ARG  28           HE       ARG  28 -10.518  -2.925  -2.847
  223   1HH1  ARG  28          1HH1      ARG  28 -11.683  -6.189  -3.074
  224   2HH1  ARG  28          2HH1      ARG  28 -10.340  -6.739  -4.015
  225   1HH2  ARG  28          1HH2      ARG  28  -8.757  -3.625  -4.104
  226   2HH2  ARG  28          2HH2      ARG  28  -8.676  -5.284  -4.598
  227    H    TRP  29           H        TRP  29 -13.316  -5.413  -1.013
  228    HA   TRP  29           HA       TRP  29 -15.330  -7.041  -1.488
  229   1HB   TRP  29          2HB       TRP  29 -13.584  -8.804  -1.856
  230   2HB   TRP  29          1HB       TRP  29 -13.340  -7.285  -2.698
  231    HD1  TRP  29           HD       TRP  29 -10.890  -8.971  -2.655
  232    HE1  TRP  29           1HE      TRP  29  -8.795  -8.474  -1.235
  233    HE3  TRP  29           3HE      TRP  29 -12.902  -5.898   0.924
  234    HZ2  TRP  29           2HZ      TRP  29  -8.076  -7.004   0.995
  235    HZ3  TRP  29           3HZ      TRP  29 -11.469  -5.026   2.661
  236    HH2  TRP  29           HH       TRP  29  -9.090  -5.555   2.707
  237    H    LYS  30           H        LYS  30 -12.980  -8.333   0.708
  238    HA   LYS  30           HA       LYS  30 -15.029  -9.743   2.116
  239   1HB   LYS  30          2HB       LYS  30 -12.014  -9.808   2.399
  240   2HB   LYS  30          1HB       LYS  30 -13.130 -10.870   3.248
  241   1HG   LYS  30          2HG       LYS  30 -13.857 -11.840   1.155
  242   2HG   LYS  30          1HG       LYS  30 -12.830 -10.721   0.256
  243   1HD   LYS  30          2HD       LYS  30 -10.847 -11.694   1.312
  244   2HD   LYS  30          1HD       LYS  30 -11.875 -12.809   2.214
  245   1HE   LYS  30          2HE       LYS  30 -12.648 -13.804   0.130
  246   2HE   LYS  30          1HE       LYS  30 -11.671 -12.662  -0.792
  247   1HZ   LYS  30          1HZ       LYS  30  -9.751 -13.740  -0.270
  248   2HZ   LYS  30          2HZ       LYS  30 -10.808 -15.060  -0.241
  249   3HZ   LYS  30          3HZ       LYS  30 -10.329 -14.330   1.208
  250    H    ASP  31           H        ASP  31 -12.442  -9.058   4.198
  251    HA   ASP  31           HA       ASP  31 -12.280  -7.881   6.114
  252   1HB   ASP  31          2HB       ASP  31 -11.892  -6.110   4.469
  253   2HB   ASP  31          1HB       ASP  31 -13.621  -5.772   4.420
  254    H    GLY  32           H        GLY  32 -13.293  -7.726   8.004
  255   1HA   GLY  32          2HA       GLY  32 -16.129  -7.107   8.159
  256   2HA   GLY  32          1HA       GLY  32 -15.680  -8.733   8.665
  257    H    GLY  33           H        GLY  33 -13.709  -8.741  10.196
  258   1HA   GLY  33          2HA       GLY  33 -14.370  -6.969  12.407
  259   2HA   GLY  33          1HA       GLY  33 -13.259  -8.336  12.458
  260    H    ASP  34           H        ASP  34 -11.721  -7.655  10.216
  261    HA   ASP  34           HA       ASP  34 -10.460  -5.105  10.955
  262   1HB   ASP  34          2HB       ASP  34  -9.296  -7.193  11.930
  263   2HB   ASP  34          1HB       ASP  34  -8.853  -7.555  10.260
  264    H    CYS  35           H        CYS  35  -9.068  -4.250   9.253
  265    HA   CYS  35           HA       CYS  35 -10.230  -4.587   6.649
  266   1HB   CYS  35          2HB       CYS  35  -7.851  -2.985   7.576
  267   2HB   CYS  35          1HB       CYS  35  -8.591  -2.853   5.985
  268    HG   CYS  35           HG       CYS  35  -9.185  -0.909   8.318
  269    H    GLU  36           H        GLU  36  -9.026  -5.191   4.711
  270    HA   GLU  36           HA       GLU  36  -6.690  -6.894   5.274
  271   1HB   GLU  36          2HB       GLU  36  -8.362  -7.682   2.991
  272   2HB   GLU  36          1HB       GLU  36  -7.504  -8.675   4.142
  273   1HG   GLU  36          2HG       GLU  36 -10.000  -7.240   4.935
  274   2HG   GLU  36          1HG       GLU  36 -10.060  -8.774   4.063
  275    H    TRP  37           H        TRP  37  -6.563  -4.143   4.247
  276    HA   TRP  37           HA       TRP  37  -6.385  -3.844   1.490
  277   1HB   TRP  37          2HB       TRP  37  -4.372  -2.938   3.528
  278   2HB   TRP  37          1HB       TRP  37  -4.354  -2.430   1.890
  279    HD1  TRP  37           HD       TRP  37  -5.901  -0.590   1.244
  280    HE1  TRP  37           1HE      TRP  37  -7.190   1.220   2.585
  281    HE3  TRP  37           3HE      TRP  37  -5.600  -2.695   5.815
  282    HZ2  TRP  37           2HZ      TRP  37  -7.902   1.638   5.298
  283    HZ3  TRP  37           3HZ      TRP  37  -6.560  -1.542   7.750
  284    HH2  TRP  37           HH       TRP  37  -7.697   0.596   7.492
  285    H    VAL  38           H        VAL  38  -3.957  -3.646   0.423
  286    HA   VAL  38           HA       VAL  38  -2.177  -5.723   1.304
  287    HB   VAL  38           HB       VAL  38  -3.454  -5.893  -1.414
  288   1HG1  VAL  38          1HG1      VAL  38  -0.726  -6.522  -0.689
  289   2HG1  VAL  38          2HG1      VAL  38  -1.505  -6.572  -2.270
  290   3HG1  VAL  38          3HG1      VAL  38  -1.598  -7.968  -1.196
  291   1HG2  VAL  38          1HG2      VAL  38  -4.121  -8.054  -0.781
  292   2HG2  VAL  38          2HG2      VAL  38  -4.427  -7.061   0.640
  293   3HG2  VAL  38          3HG2      VAL  38  -3.003  -8.095   0.580
  294    H    LYS  39           H        LYS  39  -2.661  -3.799  -1.608
  295    HA   LYS  39           HA       LYS  39  -0.368  -2.119  -1.075
  296   1HB   LYS  39          2HB       LYS  39   0.636  -4.213  -1.985
  297   2HB   LYS  39          1HB       LYS  39  -0.291  -3.985  -3.460
  298   1HG   LYS  39          2HG       LYS  39   0.864  -1.834  -3.811
  299   2HG   LYS  39          1HG       LYS  39   1.844  -2.160  -2.381
  300   1HD   LYS  39          2HD       LYS  39   1.756  -3.774  -4.929
  301   2HD   LYS  39          1HD       LYS  39   3.087  -2.771  -4.358
  302   1HE   LYS  39          2HE       LYS  39   3.719  -4.964  -3.829
  303   2HE   LYS  39          1HE       LYS  39   3.136  -4.282  -2.311
  304   1HZ   LYS  39          1HZ       LYS  39   1.616  -5.871  -2.181
  305   2HZ   LYS  39          2HZ       LYS  39   2.275  -6.598  -3.557
  306   3HZ   LYS  39          3HZ       LYS  39   1.003  -5.497  -3.713
  307    H    GLY  40           H        GLY  40  -0.675  -0.175  -1.919
  308   1HA   GLY  40          2HA       GLY  40  -3.024   0.308  -3.506
  309   2HA   GLY  40          1HA       GLY  40  -1.895   1.513  -2.920
  310    H    VAL  41           H        VAL  41   0.426   0.871  -3.924
  311    HA   VAL  41           HA       VAL  41   0.570   2.000  -6.386
  312    HB   VAL  41           HB       VAL  41   2.576   1.568  -5.111
  313   1HG1  VAL  41          1HG1      VAL  41   1.919  -1.312  -5.628
  314   2HG1  VAL  41          2HG1      VAL  41   2.254  -0.508  -4.095
  315   3HG1  VAL  41          3HG1      VAL  41   3.559  -0.793  -5.245
  316   1HG2  VAL  41          1HG2      VAL  41   3.329  -0.035  -7.430
  317   2HG2  VAL  41          2HG2      VAL  41   3.869   1.570  -6.935
  318   3HG2  VAL  41          3HG2      VAL  41   2.367   1.386  -7.841
  319    H    HIS  42           H        HIS  42  -0.037  -1.392  -5.698
  320    HA   HIS  42           HA       HIS  42  -0.105  -2.092  -8.498
  321   1HB   HIS  42          2HB       HIS  42   0.696  -3.891  -7.322
  322   2HB   HIS  42          1HB       HIS  42  -0.226  -3.494  -5.880
  323    HD1  HIS  42           1HD      HIS  42  -0.823  -5.015  -9.320
  324    HD2  HIS  42           2HD      HIS  42  -2.349  -5.024  -5.466
  325    HE1  HIS  42           1HE      HIS  42  -2.641  -6.753  -9.333
  326    HE2  HIS  42           2HE      HIS  42  -3.448  -6.852  -6.944
  327    H    VAL  43           H        VAL  43  -2.303  -1.479  -5.826
  328    HA   VAL  43           HA       VAL  43  -4.637  -1.971  -7.499
  329    HB   VAL  43           HB       VAL  43  -4.514  -1.115  -4.586
  330   1HG1  VAL  43          1HG1      VAL  43  -6.650  -0.543  -5.127
  331   2HG1  VAL  43          2HG1      VAL  43  -6.914  -2.267  -4.868
  332   3HG1  VAL  43          3HG1      VAL  43  -6.723  -1.639  -6.504
  333   1HG2  VAL  43          1HG2      VAL  43  -3.917  -3.600  -5.793
  334   2HG2  VAL  43          2HG2      VAL  43  -5.511  -3.771  -5.059
  335   3HG2  VAL  43          3HG2      VAL  43  -4.141  -3.260  -4.082
  336    H    ALA  44           H        ALA  44  -3.043   0.151  -8.384
  337    HA   ALA  44           HA       ALA  44  -3.163   2.334  -9.034
  338   1HB   ALA  44          1HB       ALA  44  -5.555   1.252  -9.491
  339   2HB   ALA  44          2HB       ALA  44  -5.194   2.941  -9.838
  340   3HB   ALA  44          3HB       ALA  44  -6.038   2.506  -8.352
  341    H    GLU  45           H        GLU  45  -2.041   2.365  -6.687
  342    HA   GLU  45           HA       GLU  45  -3.261   3.433  -4.477
  343   1HB   GLU  45          2HB       GLU  45  -1.097   2.917  -3.975
  344   2HB   GLU  45          1HB       GLU  45  -0.493   3.445  -5.535
  345   1HG   GLU  45          2HG       GLU  45  -0.355   5.685  -4.828
  346   2HG   GLU  45          1HG       GLU  45  -1.346   5.389  -3.404
  347    H    ASP  46           H        ASP  46  -1.646   5.277  -7.036
  348    HA   ASP  46           HA       ASP  46  -2.423   7.787  -6.022
  349   1HB   ASP  46          2HB       ASP  46  -0.465   7.480  -7.460
  350   2HB   ASP  46          1HB       ASP  46  -1.509   7.020  -8.802
  351    H    VAL  47           H        VAL  47  -4.350   5.451  -7.468
  352    HA   VAL  47           HA       VAL  47  -6.060   7.419  -8.821
  353    HB   VAL  47           HB       VAL  47  -6.250   4.399  -8.704
  354   1HG1  VAL  47          1HG1      VAL  47  -7.806   6.435 -10.307
  355   2HG1  VAL  47          2HG1      VAL  47  -8.434   5.345  -9.070
  356   3HG1  VAL  47          3HG1      VAL  47  -7.842   4.696 -10.601
  357   1HG2  VAL  47          1HG2      VAL  47  -4.271   5.170  -9.914
  358   2HG2  VAL  47          2HG2      VAL  47  -5.275   6.226 -10.909
  359   3HG2  VAL  47          3HG2      VAL  47  -5.453   4.476 -11.025
  360    H    ALA  48           H        ALA  48  -6.478   4.708  -6.560
  361    HA   ALA  48           HA       ALA  48  -9.058   5.604  -5.804
  362   1HB   ALA  48          1HB       ALA  48  -8.691   3.298  -5.675
  363   2HB   ALA  48          2HB       ALA  48  -8.810   3.849  -4.007
  364   3HB   ALA  48          3HB       ALA  48  -7.230   3.497  -4.712
  365    H    LYS  49           H        LYS  49  -5.967   6.694  -4.930
  366    HA   LYS  49           HA       LYS  49  -6.242   7.343  -2.223
  367   1HB   LYS  49          2HB       LYS  49  -4.589   9.058  -2.571
  368   2HB   LYS  49          1HB       LYS  49  -4.150   7.651  -3.527
  369   1HG   LYS  49          2HG       LYS  49  -4.947   8.711  -5.539
  370   2HG   LYS  49          1HG       LYS  49  -5.536  10.091  -4.611
  371   1HD   LYS  49          2HD       LYS  49  -2.653   9.226  -4.767
  372   2HD   LYS  49          1HD       LYS  49  -3.368  10.527  -5.720
  373   1HE   LYS  49          2HE       LYS  49  -3.207  10.414  -2.709
  374   2HE   LYS  49          1HE       LYS  49  -2.185  11.391  -3.762
  375   1HZ   LYS  49          1HZ       LYS  49  -5.038  11.727  -3.122
  376   2HZ   LYS  49          2HZ       LYS  49  -4.428  12.334  -4.577
  377   3HZ   LYS  49          3HZ       LYS  49  -3.795  12.876  -3.105
  378    H    ASP  50           H        ASP  50  -7.270   9.062  -5.099
  379    HA   ASP  50           HA       ASP  50  -8.463  11.210  -3.675
  380   1HB   ASP  50          2HB       ASP  50  -8.619  10.260  -6.513
  381   2HB   ASP  50          1HB       ASP  50  -9.527  11.662  -5.952
  382    H    TYR  51           H        TYR  51  -9.443   8.052  -4.548
  383    HA   TYR  51           HA       TYR  51 -12.185   8.253  -4.712
  384   1HB   TYR  51          2HB       TYR  51 -10.719   6.231  -5.078
  385   2HB   TYR  51          1HB       TYR  51 -10.773   6.041  -3.333
  386    HD1  TYR  51           1HD      TYR  51 -12.294   5.116  -6.343
  387    HD2  TYR  51           2HD      TYR  51 -13.210   6.066  -2.298
  388    HE1  TYR  51           1HE      TYR  51 -14.445   3.945  -6.566
  389    HE2  TYR  51           2HE      TYR  51 -15.373   4.905  -2.517
  390    HH   TYR  51           HH       TYR  51 -16.200   2.859  -4.207
  391    H    GLU  52           H        GLU  52 -10.314   7.415  -1.793
  392    HA   GLU  52           HA       GLU  52 -12.691   7.946  -0.163
  393   1HB   GLU  52          2HB       GLU  52 -11.116   5.924   0.132
  394   2HB   GLU  52          1HB       GLU  52 -10.024   7.062   0.898
  395   1HG   GLU  52          2HG       GLU  52 -11.840   7.671   2.478
  396   2HG   GLU  52          1HG       GLU  52 -12.817   6.385   1.782
  397    H    ASP  53           H        ASP  53  -9.262   8.660   0.018
  398    HA   ASP  53           HA       ASP  53  -8.985  10.490   1.925
  399   1HB   ASP  53          2HB       ASP  53  -7.268   9.741   0.174
  400   2HB   ASP  53          1HB       ASP  53  -7.862  11.087  -0.807
  401    H    GLY  54           H        GLY  54 -10.581  11.114  -1.140
  402   1HA   GLY  54          2HA       GLY  54 -11.081  13.904  -0.445
  403   2HA   GLY  54          1HA       GLY  54 -11.525  13.109  -1.953
  404    H    LEU  55           H        LEU  55 -12.927  10.935  -1.086
  405    HA   LEU  55           HA       LEU  55 -15.459  12.064  -0.426
  406   1HB   LEU  55          2HB       LEU  55 -14.517   9.214  -0.673
  407   2HB   LEU  55          1HB       LEU  55 -16.183   9.654  -0.344
  408    HG   LEU  55           HG       LEU  55 -14.628  10.416  -2.821
  409   1HD1  LEU  55          1HD1      LEU  55 -15.451   7.960  -2.353
  410   2HD1  LEU  55          2HD1      LEU  55 -15.634   8.700  -3.943
  411   3HD1  LEU  55          3HD1      LEU  55 -17.006   8.633  -2.836
  412   1HD2  LEU  55          1HD2      LEU  55 -17.205  10.827  -3.443
  413   2HD2  LEU  55          2HD2      LEU  55 -16.150  12.088  -2.806
  414   3HD2  LEU  55          3HD2      LEU  55 -17.246  11.228  -1.725
  415    H    GLU  56           H        GLU  56 -14.279   9.193   1.241
  416    HA   GLU  56           HA       GLU  56 -15.387  10.148   3.710
  417   1HB   GLU  56          2HB       GLU  56 -15.606   7.803   3.133
  418   2HB   GLU  56          1HB       GLU  56 -13.859   7.625   3.056
  419   1HG   GLU  56          2HG       GLU  56 -15.051   6.768   5.134
  420   2HG   GLU  56          1HG       GLU  56 -13.623   7.770   5.374
  421    H    TYR  57           H        TYR  57 -13.683  12.033   3.305
  422    HA   TYR  57           HA       TYR  57 -11.005  11.655   4.019
  423   1HB   TYR  57          2HB       TYR  57 -11.701  13.723   2.999
  424   2HB   TYR  57          1HB       TYR  57 -12.802  14.066   4.329
  425    HD1  TYR  57           1HD      TYR  57  -9.276  12.884   4.463
  426    HD2  TYR  57           2HD      TYR  57 -11.997  16.062   5.237
  427    HE1  TYR  57           1HE      TYR  57  -7.489  14.128   5.605
  428    HE2  TYR  57           2HE      TYR  57 -10.217  17.316   6.380
  429    HH   TYR  57           HH       TYR  57  -7.374  17.146   6.100
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1 -20.826   2.525  11.069
    2   2H    GLY   1          2HT       GLY   1 -19.331   2.365  10.296
    3   3H    GLY   1          3HT       GLY   1 -20.577   3.237   9.554
    4   1HA   GLY   1          1HA       GLY   1 -20.203   4.389  12.051
    5   2HA   GLY   1          2HA       GLY   1 -18.605   4.146  11.361
    6    H    SER   2           H        SER   2 -19.216   4.483   8.647
    7    HA   SER   2           HA       SER   2 -20.710   6.764   8.033
    8   1HB   SER   2          2HB       SER   2 -18.921   8.450   7.784
    9   2HB   SER   2          1HB       SER   2 -19.132   7.966   9.466
   10    HG   SER   2           HG       SER   2 -16.905   8.066   8.628
   11    H    GLN   3           H        GLN   3 -20.607   7.302   5.840
   12    HA   GLN   3           HA       GLN   3 -18.596   6.511   4.055
   13   1HB   GLN   3          2HB       GLN   3 -19.753   4.621   2.930
   14   2HB   GLN   3          1HB       GLN   3 -19.229   4.235   4.561
   15   1HG   GLN   3          2HG       GLN   3 -21.504   4.588   5.376
   16   2HG   GLN   3          1HG       GLN   3 -22.027   4.977   3.736
   17   1HE2  GLN   3          1HE2      GLN   3 -23.026   3.379   2.770
   18   2HE2  GLN   3          2HE2      GLN   3 -22.719   1.693   2.991
   19    H    VAL   4           H        VAL   4 -18.836   8.024   2.523
   20    HA   VAL   4           HA       VAL   4 -21.120   9.545   2.158
   21    HB   VAL   4           HB       VAL   4 -18.873   9.023   0.201
   22   1HG1  VAL   4          1HG1      VAL   4 -20.346  10.000  -1.234
   23   2HG1  VAL   4          2HG1      VAL   4 -19.735  11.468  -0.467
   24   3HG1  VAL   4          3HG1      VAL   4 -21.269  10.771   0.056
   25   1HG2  VAL   4          1HG2      VAL   4 -19.360  11.146   2.289
   26   2HG2  VAL   4          2HG2      VAL   4 -18.118  11.262   1.041
   27   3HG2  VAL   4          3HG2      VAL   4 -18.050   9.966   2.235
   28    H    PHE   5           H        PHE   5 -20.088   7.968  -0.789
   29    HA   PHE   5           HA       PHE   5 -22.675   7.672  -1.761
   30   1HB   PHE   5          2HB       PHE   5 -20.278   7.770  -2.900
   31   2HB   PHE   5          1HB       PHE   5 -20.423   6.017  -2.823
   32    HD1  PHE   5           1HD      PHE   5 -22.983   8.631  -3.509
   33    HD2  PHE   5           2HD      PHE   5 -20.802   5.287  -4.980
   34    HE1  PHE   5           1HE      PHE   5 -24.341   8.653  -5.561
   35    HE2  PHE   5           2HE      PHE   5 -22.156   5.303  -7.035
   36    HZ   PHE   5           HZ       PHE   5 -23.918   6.991  -7.333
   37    H    GLU   6           H        GLU   6 -22.266   4.943  -2.890
   38    HA   GLU   6           HA       GLU   6 -23.676   3.455  -0.963
   39   1HB   GLU   6          2HB       GLU   6 -23.329   1.583  -2.489
   40   2HB   GLU   6          1HB       GLU   6 -23.786   3.033  -3.372
   41   1HG   GLU   6          2HG       GLU   6 -21.524   3.403  -4.058
   42   2HG   GLU   6          1HG       GLU   6 -20.969   2.064  -3.061
   43    H    TYR   7           H        TYR   7 -20.334   3.707  -1.927
   44    HA   TYR   7           HA       TYR   7 -18.387   2.957  -1.077
   45   1HB   TYR   7          2HB       TYR   7 -19.487   4.604   0.594
   46   2HB   TYR   7          1HB       TYR   7 -19.715   3.181   1.599
   47    HD1  TYR   7           1HD      TYR   7 -16.992   2.010   0.393
   48    HD2  TYR   7           2HD      TYR   7 -18.132   5.550   2.447
   49    HE1  TYR   7           1HE      TYR   7 -14.683   2.267   1.202
   50    HE2  TYR   7           2HE      TYR   7 -15.819   5.826   3.230
   51    HH   TYR   7           HH       TYR   7 -13.373   3.385   2.700
   52    H    ALA   8           H        ALA   8 -20.311   0.860  -1.721
   53    HA   ALA   8           HA       ALA   8 -19.423  -1.227   0.155
   54   1HB   ALA   8          1HB       ALA   8 -21.598  -1.719   0.396
   55   2HB   ALA   8          2HB       ALA   8 -21.567  -2.280  -1.275
   56   3HB   ALA   8          3HB       ALA   8 -22.059  -0.626  -0.908
   57    H    GLU   9           H        GLU   9 -17.674  -0.479  -1.706
   58    HA   GLU   9           HA       GLU   9 -17.777  -1.291  -4.247
   59   1HB   GLU   9          2HB       GLU   9 -15.225  -2.079  -3.150
   60   2HB   GLU   9          1HB       GLU   9 -15.613  -0.839  -4.310
   61   1HG   GLU   9          2HG       GLU   9 -15.687  -0.569  -1.364
   62   2HG   GLU   9          1HG       GLU   9 -14.421  -0.024  -2.395
   63    H    VAL  10           H        VAL  10 -16.863  -3.265  -1.480
   64    HA   VAL  10           HA       VAL  10 -16.532  -5.505  -1.225
   65    HB   VAL  10           HB       VAL  10 -18.964  -5.199  -1.355
   66   1HG1  VAL  10          1HG1      VAL  10 -18.544  -5.950  -4.214
   67   2HG1  VAL  10          2HG1      VAL  10 -19.470  -4.610  -3.541
   68   3HG1  VAL  10          3HG1      VAL  10 -20.076  -6.260  -3.403
   69   1HG2  VAL  10          1HG2      VAL  10 -19.405  -7.447  -1.092
   70   2HG2  VAL  10          2HG2      VAL  10 -17.650  -7.410  -0.924
   71   3HG2  VAL  10          3HG2      VAL  10 -18.380  -7.906  -2.451
   72    H    ASP  11           H        ASP  11 -15.062  -4.346  -3.235
   73    HA   ASP  11           HA       ASP  11 -13.699  -6.301  -4.473
   74   1HB   ASP  11          2HB       ASP  11 -15.604  -7.151  -5.648
   75   2HB   ASP  11          1HB       ASP  11 -16.056  -5.548  -6.217
   76    H    GLU  12           H        GLU  12 -14.857  -3.030  -4.616
   77    HA   GLU  12           HA       GLU  12 -12.472  -2.272  -6.200
   78   1HB   GLU  12          2HB       GLU  12 -15.097  -0.814  -6.111
   79   2HB   GLU  12          1HB       GLU  12 -13.719  -0.426  -7.129
   80   1HG   GLU  12          2HG       GLU  12 -13.995  -2.551  -8.307
   81   2HG   GLU  12          1HG       GLU  12 -15.389  -2.927  -7.294
   82    H    ILE  13           H        ILE  13 -11.358  -2.063  -4.210
   83    HA   ILE  13           HA       ILE  13 -10.841  -1.170  -2.107
   84    HB   ILE  13           HB       ILE  13  -9.834   1.095  -2.554
   85   1HG1  ILE  13          2HG1      ILE  13 -11.473   1.661  -4.385
   86   2HG1  ILE  13          1HG1      ILE  13  -9.789   1.967  -4.777
   87   1HG2  ILE  13          1HG2      ILE  13  -8.008   0.192  -3.808
   88   2HG2  ILE  13          2HG2      ILE  13  -9.045  -1.036  -4.534
   89   3HG2  ILE  13          3HG2      ILE  13  -8.667  -1.106  -2.814
   90   1HD1  ILE  13          1HD1      ILE  13 -10.007   0.742  -6.600
   91   2HD1  ILE  13          2HD1      ILE  13 -11.682   0.392  -6.172
   92   3HD1  ILE  13          3HD1      ILE  13 -10.389  -0.665  -5.607
   93    H    VAL  14           H        VAL  14 -11.824  -0.557  -0.442
   94    HA   VAL  14           HA       VAL  14 -13.915   1.453  -0.568
   95    HB   VAL  14           HB       VAL  14 -13.700  -1.037   0.808
   96   1HG1  VAL  14          1HG1      VAL  14 -14.264  -0.412   3.126
   97   2HG1  VAL  14          2HG1      VAL  14 -13.902   1.270   2.753
   98   3HG1  VAL  14          3HG1      VAL  14 -12.628   0.064   2.687
   99   1HG2  VAL  14          1HG2      VAL  14 -15.893  -0.879   0.609
  100   2HG2  VAL  14          2HG2      VAL  14 -15.666   0.753  -0.018
  101   3HG2  VAL  14          3HG2      VAL  14 -15.946   0.504   1.704
  102    H    GLU  15           H        GLU  15 -10.835   0.633   1.010
  103    HA   GLU  15           HA       GLU  15 -10.969   3.351   2.174
  104   1HB   GLU  15          2HB       GLU  15 -10.698   0.977   3.535
  105   2HB   GLU  15          1HB       GLU  15  -9.042   1.575   3.448
  106   1HG   GLU  15          2HG       GLU  15  -9.817   3.755   4.337
  107   2HG   GLU  15          1HG       GLU  15 -11.423   3.057   4.537
  108    H    LYS  16           H        LYS  16  -8.353   3.500   3.130
  109    HA   LYS  16           HA       LYS  16  -6.315   3.069   1.287
  110   1HB   LYS  16          2HB       LYS  16  -6.182   5.348   0.302
  111   2HB   LYS  16          1HB       LYS  16  -7.617   4.481  -0.218
  112   1HG   LYS  16          2HG       LYS  16  -8.591   6.455   0.274
  113   2HG   LYS  16          1HG       LYS  16  -8.646   5.736   1.883
  114   1HD   LYS  16          2HD       LYS  16  -6.294   6.860   2.145
  115   2HD   LYS  16          1HD       LYS  16  -6.849   7.866   0.813
  116   1HE   LYS  16          2HE       LYS  16  -7.367   8.964   2.884
  117   2HE   LYS  16          1HE       LYS  16  -8.862   8.421   2.127
  118   1HZ   LYS  16          1HZ       LYS  16  -8.175   6.328   3.695
  119   2HZ   LYS  16          2HZ       LYS  16  -9.307   7.521   4.097
  120   3HZ   LYS  16          3HZ       LYS  16  -7.710   7.653   4.638
  121    H    ARG  17           H        ARG  17  -4.308   4.331   1.878
  122    HA   ARG  17           HA       ARG  17  -4.025   6.453   3.462
  123   1HB   ARG  17          2HB       ARG  17  -3.731   5.590   5.813
  124   2HB   ARG  17          1HB       ARG  17  -5.388   5.716   5.262
  125   1HG   ARG  17          2HG       ARG  17  -5.269   3.246   4.738
  126   2HG   ARG  17          1HG       ARG  17  -3.727   3.234   5.597
  127   1HD   ARG  17          2HD       ARG  17  -4.938   4.248   7.558
  128   2HD   ARG  17          1HD       ARG  17  -6.442   3.945   6.691
  129    HE   ARG  17           HE       ARG  17  -6.301   1.774   7.349
  130   1HH1  ARG  17          1HH1      ARG  17  -3.105   3.154   7.441
  131   2HH1  ARG  17          2HH1      ARG  17  -2.378   1.750   8.150
  132   1HH2  ARG  17          1HH2      ARG  17  -5.354  -0.080   8.282
  133   2HH2  ARG  17          2HH2      ARG  17  -3.658  -0.084   8.632
  134    H    GLY  18           H        GLY  18  -1.969   6.856   3.154
  135   1HA   GLY  18          2HA       GLY  18   0.116   5.203   4.105
  136   2HA   GLY  18          1HA       GLY  18  -0.085   4.984   2.376
  137    H    LYS  19           H        LYS  19   2.158   6.119   3.917
  138    HA   LYS  19           HA       LYS  19   2.209   8.930   3.490
  139   1HB   LYS  19          2HB       LYS  19   4.517   7.008   3.834
  140   2HB   LYS  19          1HB       LYS  19   4.597   8.757   4.007
  141   1HG   LYS  19          2HG       LYS  19   3.028   6.869   5.743
  142   2HG   LYS  19          1HG       LYS  19   4.521   7.705   6.175
  143   1HD   LYS  19          2HD       LYS  19   3.404   9.853   5.963
  144   2HD   LYS  19          1HD       LYS  19   1.914   9.049   5.463
  145   1HE   LYS  19          2HE       LYS  19   1.808   7.921   7.637
  146   2HE   LYS  19          1HE       LYS  19   3.286   8.747   8.131
  147   1HZ   LYS  19          1HZ       LYS  19   2.162  10.853   7.954
  148   2HZ   LYS  19          2HZ       LYS  19   1.268   9.833   8.964
  149   3HZ   LYS  19          3HZ       LYS  19   0.758  10.109   7.376
  150    H    GLY  20           H        GLY  20   4.631   9.409   2.226
  151   1HA   GLY  20          2HA       GLY  20   3.850   9.405  -0.490
  152   2HA   GLY  20          1HA       GLY  20   5.429   9.866   0.127
  153    H    LYS  21           H        LYS  21   5.877   7.230   1.368
  154    HA   LYS  21           HA       LYS  21   6.306   5.662  -1.097
  155   1HB   LYS  21          2HB       LYS  21   8.173   5.945   1.259
  156   2HB   LYS  21          1HB       LYS  21   8.437   4.891  -0.121
  157   1HG   LYS  21          2HG       LYS  21   8.593   6.794  -1.598
  158   2HG   LYS  21          1HG       LYS  21   8.204   7.890  -0.270
  159   1HD   LYS  21          2HD       LYS  21  10.632   6.103  -0.415
  160   2HD   LYS  21          1HD       LYS  21  10.616   7.836  -0.745
  161   1HE   LYS  21          2HE       LYS  21   9.853   8.246   1.558
  162   2HE   LYS  21          1HE       LYS  21   9.920   6.514   1.877
  163   1HZ   LYS  21          1HZ       LYS  21  11.922   8.177   2.396
  164   2HZ   LYS  21          2HZ       LYS  21  12.350   7.708   0.827
  165   3HZ   LYS  21          3HZ       LYS  21  12.151   6.540   2.035
  166    H    ASP  22           H        ASP  22   4.044   5.222   0.419
  167    HA   ASP  22           HA       ASP  22   4.023   2.506   0.801
  168   1HB   ASP  22          2HB       ASP  22   5.516   2.784   2.707
  169   2HB   ASP  22          1HB       ASP  22   4.447   3.995   3.405
  170    H    VAL  23           H        VAL  23   2.050   2.230   0.221
  171    HA   VAL  23           HA       VAL  23  -0.199   3.207   1.764
  172    HB   VAL  23           HB       VAL  23  -0.354   3.819  -1.130
  173   1HG1  VAL  23          1HG1      VAL  23  -2.396   4.071  -0.138
  174   2HG1  VAL  23          2HG1      VAL  23  -1.770   5.719  -0.069
  175   3HG1  VAL  23          3HG1      VAL  23  -1.708   4.690   1.358
  176   1HG2  VAL  23          1HG2      VAL  23   0.866   5.734   0.844
  177   2HG2  VAL  23          2HG2      VAL  23   0.415   6.118  -0.814
  178   3HG2  VAL  23          3HG2      VAL  23   1.703   4.957  -0.497
  179    H    GLU  24           H        GLU  24  -2.224   2.337   0.881
  180    HA   GLU  24           HA       GLU  24  -2.213   0.418  -1.156
  181   1HB   GLU  24          2HB       GLU  24  -2.925  -1.282   0.981
  182   2HB   GLU  24          1HB       GLU  24  -1.608  -1.452  -0.123
  183   1HG   GLU  24          2HG       GLU  24  -0.104  -0.338   1.318
  184   2HG   GLU  24          1HG       GLU  24  -1.406   0.164   2.389
  185    H    TYR  25           H        TYR  25  -4.161  -0.460  -1.631
  186    HA   TYR  25           HA       TYR  25  -6.478   0.675  -0.241
  187   1HB   TYR  25          2HB       TYR  25  -6.152   0.690  -3.263
  188   2HB   TYR  25          1HB       TYR  25  -7.397   1.495  -2.296
  189    HD1  TYR  25           1HD      TYR  25  -3.713   1.366  -2.694
  190    HD2  TYR  25           2HD      TYR  25  -7.109   3.693  -1.766
  191    HE1  TYR  25           1HE      TYR  25  -2.273   3.314  -2.441
  192    HE2  TYR  25           2HE      TYR  25  -5.666   5.658  -1.505
  193    HH   TYR  25           HH       TYR  25  -3.357   6.222  -1.049
  194    H    LEU  26           H        LEU  26  -7.989  -0.758   0.096
  195    HA   LEU  26           HA       LEU  26  -9.174  -2.673  -1.383
  196   1HB   LEU  26          2HB       LEU  26  -6.480  -3.427  -0.801
  197   2HB   LEU  26          1HB       LEU  26  -7.564  -4.544  -0.039
  198    HG   LEU  26           HG       LEU  26  -6.738  -5.349  -2.140
  199   1HD1  LEU  26          1HD1      LEU  26  -9.656  -4.865  -1.831
  200   2HD1  LEU  26          2HD1      LEU  26  -8.723  -6.338  -1.573
  201   3HD1  LEU  26          3HD1      LEU  26  -9.025  -5.770  -3.207
  202   1HD2  LEU  26          1HD2      LEU  26  -7.735  -4.372  -4.244
  203   2HD2  LEU  26          2HD2      LEU  26  -6.379  -3.535  -3.511
  204   3HD2  LEU  26          3HD2      LEU  26  -8.017  -2.915  -3.288
  205    H    VAL  27           H        VAL  27 -10.711  -1.800   0.266
  206    HA   VAL  27           HA       VAL  27 -10.555  -3.392   2.694
  207    HB   VAL  27           HB       VAL  27 -10.825  -0.455   2.599
  208   1HG1  VAL  27          1HG1      VAL  27 -11.928  -2.301   4.548
  209   2HG1  VAL  27          2HG1      VAL  27 -12.170  -0.562   4.415
  210   3HG1  VAL  27          3HG1      VAL  27 -10.774  -1.193   5.280
  211   1HG2  VAL  27          1HG2      VAL  27  -8.567  -1.262   2.559
  212   2HG2  VAL  27          2HG2      VAL  27  -8.879  -2.263   3.977
  213   3HG2  VAL  27          3HG2      VAL  27  -8.906  -0.506   4.117
  214    H    ARG  28           H        ARG  28 -12.085  -3.592   0.283
  215    HA   ARG  28           HA       ARG  28 -14.808  -3.050   1.234
  216   1HB   ARG  28          2HB       ARG  28 -14.982  -3.671  -1.444
  217   2HB   ARG  28          1HB       ARG  28 -14.997  -2.076  -0.744
  218   1HG   ARG  28          2HG       ARG  28 -13.431  -1.975  -2.484
  219   2HG   ARG  28          1HG       ARG  28 -12.464  -2.099  -1.040
  220   1HD   ARG  28          2HD       ARG  28 -12.234  -4.501  -1.451
  221   2HD   ARG  28          1HD       ARG  28 -13.145  -4.324  -2.911
  222    HE   ARG  28           HE       ARG  28 -10.694  -2.836  -2.723
  223   1HH1  ARG  28          1HH1      ARG  28 -12.082  -5.886  -3.542
  224   2HH1  ARG  28          2HH1      ARG  28 -11.089  -6.135  -4.934
  225   1HH2  ARG  28          1HH2      ARG  28  -9.395  -3.105  -4.606
  226   2HH2  ARG  28          2HH2      ARG  28  -9.553  -4.558  -5.532
  227    H    TRP  29           H        TRP  29 -13.822  -5.242  -1.262
  228    HA   TRP  29           HA       TRP  29 -15.479  -7.070  -1.398
  229   1HB   TRP  29          2HB       TRP  29 -13.872  -8.574  -2.303
  230   2HB   TRP  29          1HB       TRP  29 -13.375  -6.931  -2.664
  231    HD1  TRP  29           HD       TRP  29 -11.634  -9.874  -2.268
  232    HE1  TRP  29           1HE      TRP  29  -9.396  -9.665  -0.991
  233    HE3  TRP  29           3HE      TRP  29 -12.402  -5.421   0.050
  234    HZ2  TRP  29           2HZ      TRP  29  -8.102  -7.804   0.747
  235    HZ3  TRP  29           3HZ      TRP  29 -10.703  -4.525   1.451
  236    HH2  TRP  29           HH       TRP  29  -8.596  -5.647   1.850
  237    H    LYS  30           H        LYS  30 -12.901  -7.819   0.858
  238    HA   LYS  30           HA       LYS  30 -14.641  -9.751   2.140
  239   1HB   LYS  30          2HB       LYS  30 -11.633  -9.484   2.196
  240   2HB   LYS  30          1HB       LYS  30 -12.545 -10.709   3.069
  241   1HG   LYS  30          2HG       LYS  30 -13.388 -11.595   0.955
  242   2HG   LYS  30          1HG       LYS  30 -12.473 -10.368   0.079
  243   1HD   LYS  30          2HD       LYS  30 -11.281 -12.486   0.067
  244   2HD   LYS  30          1HD       LYS  30 -10.386 -11.283   0.997
  245   1HE   LYS  30          2HE       LYS  30 -10.398 -13.448   2.125
  246   2HE   LYS  30          1HE       LYS  30 -11.253 -12.231   3.072
  247   1HZ   LYS  30          1HZ       LYS  30 -12.218 -14.670   2.449
  248   2HZ   LYS  30          2HZ       LYS  30 -12.942 -13.705   1.262
  249   3HZ   LYS  30          3HZ       LYS  30 -13.166 -13.341   2.899
  250    H    ASP  31           H        ASP  31 -12.300  -7.254   2.882
  251    HA   ASP  31           HA       ASP  31 -12.190  -7.176   5.543
  252   1HB   ASP  31          2HB       ASP  31 -10.994  -5.598   4.161
  253   2HB   ASP  31          1HB       ASP  31 -12.499  -4.785   3.729
  254    H    GLY  32           H        GLY  32 -13.381  -6.899   7.203
  255   1HA   GLY  32          2HA       GLY  32 -15.643  -5.212   7.416
  256   2HA   GLY  32          1HA       GLY  32 -16.149  -6.893   7.246
  257    H    GLY  33           H        GLY  33 -14.386  -8.320   8.554
  258   1HA   GLY  33          2HA       GLY  33 -14.735  -7.490  11.336
  259   2HA   GLY  33          1HA       GLY  33 -14.305  -9.105  10.776
  260    H    ASP  34           H        ASP  34 -12.265  -8.404   9.011
  261    HA   ASP  34           HA       ASP  34 -10.215  -7.166  10.714
  262   1HB   ASP  34          2HB       ASP  34  -9.806  -9.694   9.107
  263   2HB   ASP  34          1HB       ASP  34  -8.627  -8.907  10.148
  264    H    CYS  35           H        CYS  35  -8.290  -6.478   9.487
  265    HA   CYS  35           HA       CYS  35  -9.081  -5.278   6.975
  266   1HB   CYS  35          2HB       CYS  35  -6.469  -5.054   8.480
  267   2HB   CYS  35          1HB       CYS  35  -6.999  -4.033   7.150
  268    HG   CYS  35           HG       CYS  35  -9.040  -4.132   9.827
  269    H    GLU  36           H        GLU  36  -8.190  -5.644   4.960
  270    HA   GLU  36           HA       GLU  36  -6.083  -7.647   4.675
  271   1HB   GLU  36          2HB       GLU  36  -8.016  -8.140   2.642
  272   2HB   GLU  36          1HB       GLU  36  -7.401  -9.264   3.847
  273   1HG   GLU  36          2HG       GLU  36  -9.166  -8.253   5.400
  274   2HG   GLU  36          1HG       GLU  36  -9.850  -7.534   3.938
  275    H    TRP  37           H        TRP  37  -6.509  -4.699   4.159
  276    HA   TRP  37           HA       TRP  37  -6.628  -4.391   1.362
  277   1HB   TRP  37          2HB       TRP  37  -6.468  -2.159   1.690
  278   2HB   TRP  37          1HB       TRP  37  -7.145  -2.693   3.211
  279    HD1  TRP  37           HD       TRP  37  -4.468  -0.670   1.779
  280    HE1  TRP  37           1HE      TRP  37  -2.835   0.123   3.617
  281    HE3  TRP  37           3HE      TRP  37  -5.965  -3.688   5.598
  282    HZ2  TRP  37           2HZ      TRP  37  -2.277  -0.484   6.308
  283    HZ3  TRP  37           3HZ      TRP  37  -4.843  -3.536   7.765
  284    HH2  TRP  37           HH       TRP  37  -3.024  -1.952   8.115
  285    H    VAL  38           H        VAL  38  -5.236  -4.676  -0.143
  286    HA   VAL  38           HA       VAL  38  -2.529  -5.399   0.538
  287    HB   VAL  38           HB       VAL  38  -3.810  -5.479  -2.179
  288   1HG1  VAL  38          1HG1      VAL  38  -2.102  -7.366  -2.430
  289   2HG1  VAL  38          2HG1      VAL  38  -1.333  -6.681  -0.998
  290   3HG1  VAL  38          3HG1      VAL  38  -1.507  -5.706  -2.458
  291   1HG2  VAL  38          1HG2      VAL  38  -3.702  -8.068  -1.155
  292   2HG2  VAL  38          2HG2      VAL  38  -5.145  -7.087  -1.413
  293   3HG2  VAL  38          3HG2      VAL  38  -4.345  -7.083   0.158
  294    H    LYS  39           H        LYS  39  -0.724  -4.678  -0.808
  295    HA   LYS  39           HA       LYS  39   0.091  -2.178  -0.747
  296   1HB   LYS  39          2HB       LYS  39   0.498  -3.951  -3.161
  297   2HB   LYS  39          1HB       LYS  39   1.489  -2.563  -2.736
  298   1HG   LYS  39          2HG       LYS  39   1.171  -5.055  -1.080
  299   2HG   LYS  39          1HG       LYS  39   2.550  -4.668  -2.114
  300   1HD   LYS  39          2HD       LYS  39   3.009  -2.686  -0.757
  301   2HD   LYS  39          1HD       LYS  39   1.629  -3.066   0.273
  302   1HE   LYS  39          2HE       LYS  39   2.689  -5.185   0.900
  303   2HE   LYS  39          1HE       LYS  39   4.073  -4.790  -0.121
  304   1HZ   LYS  39          1HZ       LYS  39   4.865  -3.313   1.367
  305   2HZ   LYS  39          2HZ       LYS  39   3.991  -4.256   2.468
  306   3HZ   LYS  39          3HZ       LYS  39   3.332  -2.811   1.881
  307    H    GLY  40           H        GLY  40   0.052  -0.272  -1.879
  308   1HA   GLY  40          2HA       GLY  40  -2.382   0.183  -3.386
  309   2HA   GLY  40          1HA       GLY  40  -1.281   1.413  -2.795
  310    H    VAL  41           H        VAL  41   1.085   0.777  -3.875
  311    HA   VAL  41           HA       VAL  41   1.126   1.868  -6.364
  312    HB   VAL  41           HB       VAL  41   2.985  -0.275  -5.339
  313   1HG1  VAL  41          1HG1      VAL  41   3.383   1.707  -7.577
  314   2HG1  VAL  41          2HG1      VAL  41   3.185  -0.035  -7.757
  315   3HG1  VAL  41          3HG1      VAL  41   4.612   0.610  -6.946
  316   1HG2  VAL  41          1HG2      VAL  41   2.758   1.767  -3.930
  317   2HG2  VAL  41          2HG2      VAL  41   3.327   2.716  -5.302
  318   3HG2  VAL  41          3HG2      VAL  41   4.382   1.509  -4.567
  319    H    HIS  42           H        HIS  42   0.589  -1.480  -5.507
  320    HA   HIS  42           HA       HIS  42   0.386  -2.335  -8.258
  321   1HB   HIS  42          2HB       HIS  42  -0.173  -3.782  -5.660
  322   2HB   HIS  42          1HB       HIS  42  -0.266  -4.525  -7.252
  323    HD1  HIS  42           1HD      HIS  42   2.200  -3.996  -8.639
  324    HD2  HIS  42           2HD      HIS  42   2.180  -4.398  -4.503
  325    HE1  HIS  42           1HE      HIS  42   4.564  -4.575  -8.009
  326    HE2  HIS  42           2HE      HIS  42   4.534  -4.796  -5.499
  327    H    VAL  43           H        VAL  43  -1.713  -1.613  -5.523
  328    HA   VAL  43           HA       VAL  43  -4.083  -2.145  -7.131
  329    HB   VAL  43           HB       VAL  43  -3.995  -1.240  -4.226
  330   1HG1  VAL  43          1HG1      VAL  43  -6.242  -1.279  -4.289
  331   2HG1  VAL  43          2HG1      VAL  43  -6.283  -2.756  -5.248
  332   3HG1  VAL  43          3HG1      VAL  43  -6.070  -1.203  -6.040
  333   1HG2  VAL  43          1HG2      VAL  43  -3.920  -3.415  -3.548
  334   2HG2  VAL  43          2HG2      VAL  43  -2.987  -3.580  -5.037
  335   3HG2  VAL  43          3HG2      VAL  43  -4.694  -4.024  -5.012
  336    H    ALA  44           H        ALA  44  -2.698  -0.030  -8.205
  337    HA   ALA  44           HA       ALA  44  -2.902   2.177  -8.815
  338   1HB   ALA  44          1HB       ALA  44  -5.711   2.255  -7.890
  339   2HB   ALA  44          2HB       ALA  44  -5.289   1.026  -9.085
  340   3HB   ALA  44          3HB       ALA  44  -5.012   2.731  -9.438
  341    H    GLU  45           H        GLU  45  -1.510   2.413  -6.804
  342    HA   GLU  45           HA       GLU  45  -2.438   3.247  -4.378
  343   1HB   GLU  45          2HB       GLU  45  -0.164   2.887  -4.368
  344   2HB   GLU  45          1HB       GLU  45   0.086   3.737  -5.882
  345   1HG   GLU  45          2HG       GLU  45   0.228   5.783  -4.863
  346   2HG   GLU  45          1HG       GLU  45  -0.718   5.287  -3.463
  347    H    ASP  46           H        ASP  46  -1.482   5.449  -7.018
  348    HA   ASP  46           HA       ASP  46  -2.681   7.646  -5.581
  349   1HB   ASP  46          2HB       ASP  46  -1.270   7.493  -8.246
  350   2HB   ASP  46          1HB       ASP  46  -1.947   8.984  -7.596
  351    H    VAL  47           H        VAL  47  -4.411   5.414  -6.715
  352    HA   VAL  47           HA       VAL  47  -6.136   7.127  -8.389
  353    HB   VAL  47           HB       VAL  47  -6.016   4.116  -8.344
  354   1HG1  VAL  47          1HG1      VAL  47  -8.196   4.754  -8.966
  355   2HG1  VAL  47          2HG1      VAL  47  -7.360   4.415 -10.481
  356   3HG1  VAL  47          3HG1      VAL  47  -7.611   6.083  -9.965
  357   1HG2  VAL  47          1HG2      VAL  47  -4.000   4.840  -9.352
  358   2HG2  VAL  47          2HG2      VAL  47  -4.819   6.125 -10.241
  359   3HG2  VAL  47          3HG2      VAL  47  -5.086   4.439 -10.684
  360    H    ALA  48           H        ALA  48  -6.047   4.642  -5.877
  361    HA   ALA  48           HA       ALA  48  -8.873   4.817  -5.386
  362   1HB   ALA  48          1HB       ALA  48  -6.604   3.298  -4.211
  363   2HB   ALA  48          2HB       ALA  48  -8.064   2.712  -4.989
  364   3HB   ALA  48          3HB       ALA  48  -8.146   3.368  -3.355
  365    H    LYS  49           H        LYS  49  -5.974   6.178  -3.916
  366    HA   LYS  49           HA       LYS  49  -6.981   7.012  -1.483
  367   1HB   LYS  49          2HB       LYS  49  -4.773   7.460  -1.523
  368   2HB   LYS  49          1HB       LYS  49  -4.759   7.783  -3.238
  369   1HG   LYS  49          2HG       LYS  49  -4.056   9.754  -2.115
  370   2HG   LYS  49          1HG       LYS  49  -5.674  10.057  -2.745
  371   1HD   LYS  49          2HD       LYS  49  -5.805  10.930  -0.611
  372   2HD   LYS  49          1HD       LYS  49  -6.452   9.307  -0.384
  373   1HE   LYS  49          2HE       LYS  49  -3.622  10.180   0.188
  374   2HE   LYS  49          1HE       LYS  49  -4.883   9.943   1.395
  375   1HZ   LYS  49          1HZ       LYS  49  -3.734   7.972   1.470
  376   2HZ   LYS  49          2HZ       LYS  49  -3.434   7.939  -0.193
  377   3HZ   LYS  49          3HZ       LYS  49  -4.979   7.578   0.395
  378    H    ASP  50           H        ASP  50  -7.040   8.928  -4.482
  379    HA   ASP  50           HA       ASP  50  -8.499  11.018  -3.316
  380   1HB   ASP  50          2HB       ASP  50  -8.212  10.231  -6.194
  381   2HB   ASP  50          1HB       ASP  50  -8.957  11.731  -5.663
  382    H    TYR  51           H        TYR  51  -9.514   8.016  -4.677
  383    HA   TYR  51           HA       TYR  51 -12.156   8.578  -5.291
  384   1HB   TYR  51          2HB       TYR  51 -11.189   6.443  -5.849
  385   2HB   TYR  51          1HB       TYR  51 -10.975   6.102  -4.140
  386    HD1  TYR  51           1HD      TYR  51 -13.238   5.900  -6.928
  387    HD2  TYR  51           2HD      TYR  51 -13.033   5.823  -2.670
  388    HE1  TYR  51           1HE      TYR  51 -15.492   4.920  -6.838
  389    HE2  TYR  51           2HE      TYR  51 -15.297   4.856  -2.572
  390    HH   TYR  51           HH       TYR  51 -16.762   3.385  -5.013
  391    H    GLU  52           H        GLU  52 -10.924   7.171  -2.297
  392    HA   GLU  52           HA       GLU  52 -13.469   7.687  -1.024
  393   1HB   GLU  52          2HB       GLU  52 -12.541   5.489  -0.820
  394   2HB   GLU  52          1HB       GLU  52 -11.089   6.148  -0.102
  395   1HG   GLU  52          2HG       GLU  52 -12.654   5.157   1.528
  396   2HG   GLU  52          1HG       GLU  52 -12.286   6.854   1.842
  397    H    ASP  53           H        ASP  53 -10.056   8.460  -0.352
  398    HA   ASP  53           HA       ASP  53 -10.266   9.741   2.027
  399   1HB   ASP  53          2HB       ASP  53  -8.210  10.672   1.590
  400   2HB   ASP  53          1HB       ASP  53  -8.266   9.479   0.298
  401    H    GLY  54           H        GLY  54 -11.450  10.859  -1.039
  402   1HA   GLY  54          2HA       GLY  54 -12.114  13.509  -0.097
  403   2HA   GLY  54          1HA       GLY  54 -12.519  12.820  -1.663
  404    H    LEU  55           H        LEU  55 -13.785  10.434  -0.573
  405    HA   LEU  55           HA       LEU  55 -16.407  11.477  -0.212
  406   1HB   LEU  55          2HB       LEU  55 -15.264   8.696  -0.003
  407   2HB   LEU  55          1HB       LEU  55 -16.970   9.047   0.178
  408    HG   LEU  55           HG       LEU  55 -15.321   9.544  -2.300
  409   1HD1  LEU  55          1HD1      LEU  55 -15.642   7.236  -2.191
  410   2HD1  LEU  55          2HD1      LEU  55 -16.973   7.803  -3.201
  411   3HD1  LEU  55          3HD1      LEU  55 -17.261   7.400  -1.509
  412   1HD2  LEU  55          1HD2      LEU  55 -18.257   9.965  -1.758
  413   2HD2  LEU  55          2HD2      LEU  55 -17.494  10.059  -3.346
  414   3HD2  LEU  55          3HD2      LEU  55 -17.055  11.213  -2.087
  415    H    GLU  56           H        GLU  56 -14.920   9.043   1.870
  416    HA   GLU  56           HA       GLU  56 -16.271  10.146   4.173
  417   1HB   GLU  56          2HB       GLU  56 -16.103   7.698   3.797
  418   2HB   GLU  56          1HB       GLU  56 -14.360   7.806   3.992
  419   1HG   GLU  56          2HG       GLU  56 -14.738   8.660   6.302
  420   2HG   GLU  56          1HG       GLU  56 -16.458   8.364   6.075
  421    H    TYR  57           H        TYR  57 -14.597  12.087   3.340
  422    HA   TYR  57           HA       TYR  57 -11.940  12.057   4.106
  423   1HB   TYR  57          2HB       TYR  57 -12.953  13.861   2.783
  424   2HB   TYR  57          1HB       TYR  57 -13.869  14.390   4.190
  425    HD1  TYR  57           1HD      TYR  57 -10.295  13.363   3.962
  426    HD2  TYR  57           2HD      TYR  57 -13.057  16.525   4.650
  427    HE1  TYR  57           1HE      TYR  57  -8.436  14.838   4.606
  428    HE2  TYR  57           2HE      TYR  57 -11.206  18.009   5.294
  429    HH   TYR  57           HH       TYR  57  -8.996  18.025   5.939
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1 -14.009   1.077   6.151
    2   2H    GLY   1          2HT       GLY   1 -15.698   1.033   6.073
    3   3H    GLY   1          3HT       GLY   1 -14.922   1.083   7.576
    4   1HA   GLY   1          1HA       GLY   1 -15.248   3.272   7.526
    5   2HA   GLY   1          2HA       GLY   1 -13.928   3.281   6.365
    6    H    SER   2           H        SER   2 -16.583   4.809   6.765
    7    HA   SER   2           HA       SER   2 -17.069   5.248   3.996
    8   1HB   SER   2          2HB       SER   2 -19.253   3.864   5.572
    9   2HB   SER   2          1HB       SER   2 -19.444   4.554   3.960
   10    HG   SER   2           HG       SER   2 -18.261   2.197   4.746
   11    H    GLN   3           H        GLN   3 -18.021   7.191   3.641
   12    HA   GLN   3           HA       GLN   3 -19.470   8.519   5.776
   13   1HB   GLN   3          2HB       GLN   3 -16.905   9.612   4.621
   14   2HB   GLN   3          1HB       GLN   3 -18.058  10.588   5.522
   15   1HG   GLN   3          2HG       GLN   3 -17.750   9.162   7.476
   16   2HG   GLN   3          1HG       GLN   3 -16.603   8.172   6.575
   17   1HE2  GLN   3          1HE2      GLN   3 -16.818  10.516   8.810
   18   2HE2  GLN   3          2HE2      GLN   3 -15.300  11.306   8.576
   19    H    VAL   4           H        VAL   4 -18.067   8.880   2.526
   20    HA   VAL   4           HA       VAL   4 -20.385  10.500   1.770
   21    HB   VAL   4           HB       VAL   4 -17.815   9.927   0.261
   22   1HG1  VAL   4          1HG1      VAL   4 -18.591  11.443  -1.440
   23   2HG1  VAL   4          2HG1      VAL   4 -20.077  11.762  -0.545
   24   3HG1  VAL   4          3HG1      VAL   4 -19.792  10.167  -1.240
   25   1HG2  VAL   4          1HG2      VAL   4 -17.328  12.260   0.647
   26   2HG2  VAL   4          2HG2      VAL   4 -17.652  11.470   2.190
   27   3HG2  VAL   4          3HG2      VAL   4 -18.883  12.491   1.445
   28    H    PHE   5           H        PHE   5 -18.656   8.388  -0.446
   29    HA   PHE   5           HA       PHE   5 -20.957   7.407  -1.631
   30   1HB   PHE   5          2HB       PHE   5 -18.077   6.607  -1.675
   31   2HB   PHE   5          1HB       PHE   5 -19.277   5.552  -2.423
   32    HD1  PHE   5           1HD      PHE   5 -17.820   8.944  -2.487
   33    HD2  PHE   5           2HD      PHE   5 -20.242   6.083  -4.500
   34    HE1  PHE   5           1HE      PHE   5 -17.790  10.350  -4.506
   35    HE2  PHE   5           2HE      PHE   5 -20.209   7.479  -6.529
   36    HZ   PHE   5           HZ       PHE   5 -18.983   9.616  -6.533
   37    H    GLU   6           H        GLU   6 -21.838   5.299  -1.594
   38    HA   GLU   6           HA       GLU   6 -22.449   4.328   0.923
   39   1HB   GLU   6          2HB       GLU   6 -22.413   2.803  -1.678
   40   2HB   GLU   6          1HB       GLU   6 -23.374   2.401  -0.260
   41   1HG   GLU   6          2HG       GLU   6 -23.666   4.845  -1.996
   42   2HG   GLU   6          1HG       GLU   6 -24.737   3.444  -1.969
   43    H    TYR   7           H        TYR   7 -19.935   3.428  -1.336
   44    HA   TYR   7           HA       TYR   7 -18.049   2.224  -1.170
   45   1HB   TYR   7          2HB       TYR   7 -18.458   3.289   1.495
   46   2HB   TYR   7          1HB       TYR   7 -17.556   1.777   1.521
   47    HD1  TYR   7           1HD      TYR   7 -15.950   1.837  -0.854
   48    HD2  TYR   7           2HD      TYR   7 -16.946   5.045   1.754
   49    HE1  TYR   7           1HE      TYR   7 -13.919   3.012  -1.544
   50    HE2  TYR   7           2HE      TYR   7 -14.913   6.238   1.061
   51    HH   TYR   7           HH       TYR   7 -12.636   4.804  -1.252
   52    H    ALA   8           H        ALA   8 -19.948   0.634  -1.883
   53    HA   ALA   8           HA       ALA   8 -19.608  -1.792  -0.271
   54   1HB   ALA   8          1HB       ALA   8 -21.849  -2.466  -0.703
   55   2HB   ALA   8          2HB       ALA   8 -22.095  -1.147  -1.848
   56   3HB   ALA   8          3HB       ALA   8 -21.931  -0.803  -0.127
   57    H    GLU   9           H        GLU   9 -17.855  -1.089  -2.264
   58    HA   GLU   9           HA       GLU   9 -18.569  -2.009  -4.793
   59   1HB   GLU   9          2HB       GLU   9 -15.930  -2.293  -4.861
   60   2HB   GLU   9          1HB       GLU   9 -16.714  -0.759  -5.079
   61   1HG   GLU   9          2HG       GLU   9 -15.761  -1.660  -2.367
   62   2HG   GLU   9          1HG       GLU   9 -14.689  -0.923  -3.544
   63    H    VAL  10           H        VAL  10 -17.182  -3.480  -1.956
   64    HA   VAL  10           HA       VAL  10 -16.591  -5.638  -1.471
   65    HB   VAL  10           HB       VAL  10 -19.004  -5.549  -1.354
   66   1HG1  VAL  10          1HG1      VAL  10 -19.879  -5.160  -3.433
   67   2HG1  VAL  10          2HG1      VAL  10 -20.206  -6.883  -3.244
   68   3HG1  VAL  10          3HG1      VAL  10 -18.838  -6.348  -4.213
   69   1HG2  VAL  10          1HG2      VAL  10 -17.600  -8.087  -2.032
   70   2HG2  VAL  10          2HG2      VAL  10 -19.335  -8.122  -1.719
   71   3HG2  VAL  10          3HG2      VAL  10 -18.228  -7.534  -0.480
   72    H    ASP  11           H        ASP  11 -15.078  -4.896  -3.346
   73    HA   ASP  11           HA       ASP  11 -13.821  -6.930  -4.506
   74   1HB   ASP  11          2HB       ASP  11 -16.292  -6.412  -6.031
   75   2HB   ASP  11          1HB       ASP  11 -14.838  -6.619  -7.002
   76    H    GLU  12           H        GLU  12 -14.680  -3.591  -4.694
   77    HA   GLU  12           HA       GLU  12 -12.257  -3.078  -6.324
   78   1HB   GLU  12          2HB       GLU  12 -14.811  -1.504  -6.469
   79   2HB   GLU  12          1HB       GLU  12 -13.384  -1.282  -7.474
   80   1HG   GLU  12          2HG       GLU  12 -13.744  -3.538  -8.417
   81   2HG   GLU  12          1HG       GLU  12 -15.229  -3.661  -7.472
   82    H    ILE  13           H        ILE  13 -11.490  -2.853  -3.932
   83    HA   ILE  13           HA       ILE  13 -11.011  -1.699  -2.081
   84    HB   ILE  13           HB       ILE  13 -10.005   0.537  -2.528
   85   1HG1  ILE  13          2HG1      ILE  13  -9.666   1.062  -5.008
   86   2HG1  ILE  13          1HG1      ILE  13 -11.037   0.010  -5.312
   87   1HG2  ILE  13          1HG2      ILE  13  -8.127  -0.336  -3.699
   88   2HG2  ILE  13          2HG2      ILE  13  -9.116  -1.567  -4.482
   89   3HG2  ILE  13          3HG2      ILE  13  -8.819  -1.647  -2.748
   90   1HD1  ILE  13          1HD1      ILE  13 -11.187   2.679  -4.912
   91   2HD1  ILE  13          2HD1      ILE  13 -11.502   2.073  -3.287
   92   3HD1  ILE  13          3HD1      ILE  13 -12.512   1.553  -4.632
   93    H    VAL  14           H        VAL  14 -11.785  -0.726  -0.422
   94    HA   VAL  14           HA       VAL  14 -13.984   1.164  -0.709
   95    HB   VAL  14           HB       VAL  14 -13.927  -1.300   0.753
   96   1HG1  VAL  14          1HG1      VAL  14 -14.604   1.050   2.529
   97   2HG1  VAL  14          2HG1      VAL  14 -13.129   0.100   2.675
   98   3HG1  VAL  14          3HG1      VAL  14 -14.695  -0.661   2.948
   99   1HG2  VAL  14          1HG2      VAL  14 -15.755  -0.320  -0.619
  100   2HG2  VAL  14          2HG2      VAL  14 -16.116   0.743   0.735
  101   3HG2  VAL  14          3HG2      VAL  14 -16.255  -1.001   0.920
  102    H    GLU  15           H        GLU  15 -10.940   0.349   0.880
  103    HA   GLU  15           HA       GLU  15 -10.954   3.112   1.867
  104   1HB   GLU  15          2HB       GLU  15 -11.085   0.809   3.547
  105   2HB   GLU  15          1HB       GLU  15  -9.526   1.605   3.791
  106   1HG   GLU  15          2HG       GLU  15 -10.669   3.751   4.146
  107   2HG   GLU  15          1HG       GLU  15 -12.222   2.932   3.970
  108    H    LYS  16           H        LYS  16  -8.556   3.240   3.170
  109    HA   LYS  16           HA       LYS  16  -6.324   2.146   1.832
  110   1HB   LYS  16          2HB       LYS  16  -5.711   3.798   0.318
  111   2HB   LYS  16          1HB       LYS  16  -7.416   3.497   0.025
  112   1HG   LYS  16          2HG       LYS  16  -7.333   5.783  -0.091
  113   2HG   LYS  16          1HG       LYS  16  -7.794   5.528   1.592
  114   1HD   LYS  16          2HD       LYS  16  -5.621   6.033   2.368
  115   2HD   LYS  16          1HD       LYS  16  -4.921   5.856   0.759
  116   1HE   LYS  16          2HE       LYS  16  -6.136   7.840   0.031
  117   2HE   LYS  16          1HE       LYS  16  -6.839   8.008   1.637
  118   1HZ   LYS  16          1HZ       LYS  16  -4.498   9.122   0.766
  119   2HZ   LYS  16          2HZ       LYS  16  -3.993   7.826   1.731
  120   3HZ   LYS  16          3HZ       LYS  16  -5.015   9.011   2.374
  121    H    ARG  17           H        ARG  17  -4.280   3.640   2.187
  122    HA   ARG  17           HA       ARG  17  -4.170   5.815   3.776
  123   1HB   ARG  17          2HB       ARG  17  -3.679   4.876   6.080
  124   2HB   ARG  17          1HB       ARG  17  -5.364   4.869   5.593
  125   1HG   ARG  17          2HG       ARG  17  -5.391   2.738   6.216
  126   2HG   ARG  17          1HG       ARG  17  -4.440   2.401   4.770
  127   1HD   ARG  17          2HD       ARG  17  -3.400   1.440   6.760
  128   2HD   ARG  17          1HD       ARG  17  -2.380   2.685   6.047
  129    HE   ARG  17           HE       ARG  17  -2.532   3.826   8.008
  130   1HH1  ARG  17          1HH1      ARG  17  -5.244   1.647   7.800
  131   2HH1  ARG  17          2HH1      ARG  17  -5.880   2.088   9.348
  132   1HH2  ARG  17          1HH2      ARG  17  -3.360   4.404  10.051
  133   2HH2  ARG  17          2HH2      ARG  17  -4.809   3.653  10.628
  134    H    GLY  18           H        GLY  18  -2.220   6.419   3.205
  135   1HA   GLY  18          2HA       GLY  18   0.132   5.356   4.182
  136   2HA   GLY  18          1HA       GLY  18  -0.101   4.628   2.603
  137    H    LYS  19           H        LYS  19   1.929   5.740   2.105
  138    HA   LYS  19           HA       LYS  19   1.373   8.250   0.802
  139   1HB   LYS  19          2HB       LYS  19   3.581   8.192   2.869
  140   2HB   LYS  19          1HB       LYS  19   3.062   9.566   1.906
  141   1HG   LYS  19          2HG       LYS  19   0.909   9.569   3.068
  142   2HG   LYS  19          1HG       LYS  19   1.446   8.205   4.047
  143   1HD   LYS  19          2HD       LYS  19   1.693  10.331   5.244
  144   2HD   LYS  19          1HD       LYS  19   3.248   9.543   4.978
  145   1HE   LYS  19          2HE       LYS  19   3.440  11.915   4.549
  146   2HE   LYS  19          1HE       LYS  19   3.641  11.018   3.047
  147   1HZ   LYS  19          1HZ       LYS  19   1.099  11.471   2.833
  148   2HZ   LYS  19          2HZ       LYS  19   2.213  12.669   2.408
  149   3HZ   LYS  19          3HZ       LYS  19   1.425  12.741   3.901
  150    H    GLY  20           H        GLY  20   4.205   8.929   0.516
  151   1HA   GLY  20          2HA       GLY  20   4.826   7.393  -1.731
  152   2HA   GLY  20          1HA       GLY  20   5.959   8.422  -0.867
  153    H    LYS  21           H        LYS  21   5.592   6.890   1.638
  154    HA   LYS  21           HA       LYS  21   7.665   5.002   1.169
  155   1HB   LYS  21          2HB       LYS  21   7.745   4.664   3.497
  156   2HB   LYS  21          1HB       LYS  21   7.368   6.363   3.266
  157   1HG   LYS  21          2HG       LYS  21   5.297   4.265   3.856
  158   2HG   LYS  21          1HG       LYS  21   6.107   5.223   5.094
  159   1HD   LYS  21          2HD       LYS  21   5.266   7.274   3.933
  160   2HD   LYS  21          1HD       LYS  21   4.318   6.220   2.884
  161   1HE   LYS  21          2HE       LYS  21   4.103   6.415   5.883
  162   2HE   LYS  21          1HE       LYS  21   2.952   7.054   4.709
  163   1HZ   LYS  21          1HZ       LYS  21   3.244   4.402   4.065
  164   2HZ   LYS  21          2HZ       LYS  21   1.925   5.109   4.853
  165   3HZ   LYS  21          3HZ       LYS  21   3.178   4.418   5.755
  166    H    ASP  22           H        ASP  22   4.169   4.606   1.846
  167    HA   ASP  22           HA       ASP  22   3.962   2.200   0.506
  168   1HB   ASP  22          2HB       ASP  22   5.405   1.243   2.230
  169   2HB   ASP  22          1HB       ASP  22   4.338   1.853   3.488
  170    H    VAL  23           H        VAL  23   2.039   2.276  -0.075
  171    HA   VAL  23           HA       VAL  23  -0.174   2.900   1.795
  172    HB   VAL  23           HB       VAL  23  -0.600   3.341  -1.080
  173   1HG1  VAL  23          1HG1      VAL  23  -1.423   5.539   0.506
  174   2HG1  VAL  23          2HG1      VAL  23  -1.808   4.063   1.391
  175   3HG1  VAL  23          3HG1      VAL  23  -2.421   4.296  -0.245
  176   1HG2  VAL  23          1HG2      VAL  23   1.364   4.944   0.459
  177   2HG2  VAL  23          2HG2      VAL  23   0.283   5.800  -0.637
  178   3HG2  VAL  23          3HG2      VAL  23   1.343   4.532  -1.253
  179    H    GLU  24           H        GLU  24  -2.282   2.197   0.483
  180    HA   GLU  24           HA       GLU  24  -2.339   0.152  -1.275
  181   1HB   GLU  24          2HB       GLU  24  -2.739  -1.802   0.338
  182   2HB   GLU  24          1HB       GLU  24  -1.107  -1.339  -0.059
  183   1HG   GLU  24          2HG       GLU  24  -0.715  -0.347   1.963
  184   2HG   GLU  24          1HG       GLU  24  -2.422  -0.205   2.343
  185    H    TYR  25           H        TYR  25  -4.263  -0.678  -1.719
  186    HA   TYR  25           HA       TYR  25  -6.574   0.411  -0.275
  187   1HB   TYR  25          2HB       TYR  25  -6.186   0.401  -3.294
  188   2HB   TYR  25          1HB       TYR  25  -7.551   1.086  -2.407
  189    HD1  TYR  25           1HD      TYR  25  -3.835   1.307  -2.422
  190    HD2  TYR  25           2HD      TYR  25  -7.528   3.345  -2.096
  191    HE1  TYR  25           1HE      TYR  25  -2.629   3.372  -2.095
  192    HE2  TYR  25           2HE      TYR  25  -6.321   5.450  -1.778
  193    HH   TYR  25           HH       TYR  25  -2.763   5.567  -1.677
  194    H    LEU  26           H        LEU  26  -8.047  -1.054   0.151
  195    HA   LEU  26           HA       LEU  26  -9.219  -2.938  -1.399
  196   1HB   LEU  26          2HB       LEU  26  -6.609  -3.810  -0.367
  197   2HB   LEU  26          1HB       LEU  26  -7.886  -4.978  -0.227
  198    HG   LEU  26           HG       LEU  26  -6.259  -4.208  -2.521
  199   1HD1  LEU  26          1HD1      LEU  26  -7.619  -6.523  -3.100
  200   2HD1  LEU  26          2HD1      LEU  26  -7.459  -6.541  -1.343
  201   3HD1  LEU  26          3HD1      LEU  26  -6.026  -6.383  -2.357
  202   1HD2  LEU  26          1HD2      LEU  26  -8.293  -4.859  -4.066
  203   2HD2  LEU  26          2HD2      LEU  26  -7.964  -3.183  -3.639
  204   3HD2  LEU  26          3HD2      LEU  26  -9.213  -4.072  -2.796
  205    H    VAL  27           H        VAL  27 -10.807  -2.045   0.134
  206    HA   VAL  27           HA       VAL  27 -10.770  -3.594   2.604
  207    HB   VAL  27           HB       VAL  27 -11.373  -0.670   2.477
  208   1HG1  VAL  27          1HG1      VAL  27 -11.889  -2.724   4.528
  209   2HG1  VAL  27          2HG1      VAL  27 -12.704  -1.189   4.232
  210   3HG1  VAL  27          3HG1      VAL  27 -11.175  -1.220   5.111
  211   1HG2  VAL  27          1HG2      VAL  27  -8.965  -1.302   2.335
  212   2HG2  VAL  27          2HG2      VAL  27  -9.136  -2.071   3.914
  213   3HG2  VAL  27          3HG2      VAL  27  -9.375  -0.337   3.752
  214    H    ARG  28           H        ARG  28 -12.267  -4.044   0.210
  215    HA   ARG  28           HA       ARG  28 -14.993  -3.468   1.149
  216   1HB   ARG  28          2HB       ARG  28 -15.314  -3.710  -1.517
  217   2HB   ARG  28          1HB       ARG  28 -15.091  -2.193  -0.676
  218   1HG   ARG  28          2HG       ARG  28 -13.684  -2.159  -2.557
  219   2HG   ARG  28          1HG       ARG  28 -12.622  -2.414  -1.182
  220   1HD   ARG  28          2HD       ARG  28 -13.561  -4.863  -2.313
  221   2HD   ARG  28          1HD       ARG  28 -12.789  -3.924  -3.505
  222    HE   ARG  28           HE       ARG  28 -11.148  -4.025  -1.252
  223   1HH1  ARG  28          1HH1      ARG  28 -12.304  -6.017  -3.845
  224   2HH1  ARG  28          2HH1      ARG  28 -10.988  -7.126  -3.771
  225   1HH2  ARG  28          1HH2      ARG  28  -9.437  -5.528  -1.123
  226   2HH2  ARG  28          2HH2      ARG  28  -9.355  -6.831  -2.250
  227    H    TRP  29           H        TRP  29 -13.127  -5.691  -0.791
  228    HA   TRP  29           HA       TRP  29 -15.048  -7.341  -1.618
  229   1HB   TRP  29          2HB       TRP  29 -13.292  -9.168  -1.630
  230   2HB   TRP  29          1HB       TRP  29 -12.983  -7.718  -2.556
  231    HD1  TRP  29           HD       TRP  29 -10.554  -9.328  -2.190
  232    HE1  TRP  29           1HE      TRP  29  -8.578  -8.719  -0.665
  233    HE3  TRP  29           3HE      TRP  29 -12.908  -6.121   1.097
  234    HZ2  TRP  29           2HZ      TRP  29  -8.024  -7.101   1.571
  235    HZ3  TRP  29           3HZ      TRP  29 -11.599  -5.139   2.887
  236    HH2  TRP  29           HH       TRP  29  -9.217  -5.616   3.116
  237    H    LYS  30           H        LYS  30 -13.050  -8.716   0.777
  238    HA   LYS  30           HA       LYS  30 -15.254 -10.227   1.838
  239   1HB   LYS  30          2HB       LYS  30 -13.203 -11.408   1.365
  240   2HB   LYS  30          1HB       LYS  30 -12.298 -10.338   2.427
  241   1HG   LYS  30          2HG       LYS  30 -12.707 -12.472   3.497
  242   2HG   LYS  30          1HG       LYS  30 -13.560 -11.181   4.344
  243   1HD   LYS  30          2HD       LYS  30 -15.629 -11.787   3.198
  244   2HD   LYS  30          1HD       LYS  30 -14.779 -13.070   2.332
  245   1HE   LYS  30          2HE       LYS  30 -14.281 -14.171   4.458
  246   2HE   LYS  30          1HE       LYS  30 -15.125 -12.887   5.323
  247   1HZ   LYS  30          1HZ       LYS  30 -16.742 -14.044   3.274
  248   2HZ   LYS  30          2HZ       LYS  30 -17.076 -13.838   4.918
  249   3HZ   LYS  30          3HZ       LYS  30 -16.229 -15.205   4.394
  250    H    ASP  31           H        ASP  31 -12.639  -8.357   3.302
  251    HA   ASP  31           HA       ASP  31 -13.681  -8.306   5.877
  252   1HB   ASP  31          2HB       ASP  31 -11.377  -7.460   4.640
  253   2HB   ASP  31          1HB       ASP  31 -12.105  -5.955   5.193
  254    H    GLY  32           H        GLY  32 -14.954  -6.999   6.995
  255   1HA   GLY  32          2HA       GLY  32 -16.150  -4.673   5.635
  256   2HA   GLY  32          1HA       GLY  32 -17.155  -5.847   6.478
  257    H    GLY  33           H        GLY  33 -15.753  -6.352   8.756
  258   1HA   GLY  33          2HA       GLY  33 -16.147  -3.899  10.254
  259   2HA   GLY  33          1HA       GLY  33 -15.734  -5.478  10.927
  260    H    ASP  34           H        ASP  34 -13.525  -6.134   9.576
  261    HA   ASP  34           HA       ASP  34 -11.552  -4.192  10.517
  262   1HB   ASP  34          2HB       ASP  34 -11.648  -6.776  11.071
  263   2HB   ASP  34          1HB       ASP  34 -10.907  -6.950   9.489
  264    H    CYS  35           H        CYS  35  -9.499  -5.230   8.755
  265    HA   CYS  35           HA       CYS  35 -10.365  -4.718   6.053
  266   1HB   CYS  35          2HB       CYS  35  -8.652  -2.825   5.826
  267   2HB   CYS  35          1HB       CYS  35 -10.185  -2.463   6.597
  268    HG   CYS  35           HG       CYS  35  -7.970  -1.085   7.771
  269    H    GLU  36           H        GLU  36  -9.350  -6.179   4.872
  270    HA   GLU  36           HA       GLU  36  -6.666  -7.100   5.622
  271   1HB   GLU  36          2HB       GLU  36  -8.276  -8.161   3.348
  272   2HB   GLU  36          1HB       GLU  36  -7.030  -8.982   4.277
  273   1HG   GLU  36          2HG       GLU  36  -9.737  -8.231   5.332
  274   2HG   GLU  36          1HG       GLU  36  -9.296  -9.820   4.714
  275    H    TRP  37           H        TRP  37  -7.506  -4.546   4.098
  276    HA   TRP  37           HA       TRP  37  -6.824  -4.629   1.450
  277   1HB   TRP  37          2HB       TRP  37  -6.673  -2.362   1.543
  278   2HB   TRP  37          1HB       TRP  37  -7.584  -2.698   2.992
  279    HD1  TRP  37           HD       TRP  37  -4.669  -0.827   1.829
  280    HE1  TRP  37           1HE      TRP  37  -3.313   0.056   3.872
  281    HE3  TRP  37           3HE      TRP  37  -6.739  -3.654   5.526
  282    HZ2  TRP  37           2HZ      TRP  37  -3.141  -0.468   6.633
  283    HZ3  TRP  37           3HZ      TRP  37  -5.928  -3.439   7.812
  284    HH2  TRP  37           HH       TRP  37  -4.159  -1.868   8.358
  285    H    VAL  38           H        VAL  38  -4.957  -4.725   0.223
  286    HA   VAL  38           HA       VAL  38  -2.449  -4.572   1.726
  287    HB   VAL  38           HB       VAL  38  -2.743  -6.766  -0.279
  288   1HG1  VAL  38          1HG1      VAL  38  -0.515  -6.003   0.387
  289   2HG1  VAL  38          2HG1      VAL  38  -0.813  -7.688   0.818
  290   3HG1  VAL  38          3HG1      VAL  38  -0.888  -6.431   2.054
  291   1HG2  VAL  38          1HG2      VAL  38  -2.944  -8.286   1.804
  292   2HG2  VAL  38          2HG2      VAL  38  -4.395  -7.472   1.220
  293   3HG2  VAL  38          3HG2      VAL  38  -3.528  -6.833   2.615
  294    H    LYS  39           H        LYS  39  -0.614  -3.886   0.163
  295    HA   LYS  39           HA       LYS  39   0.071  -2.716  -1.695
  296   1HB   LYS  39          2HB       LYS  39  -1.786  -4.557  -3.195
  297   2HB   LYS  39          1HB       LYS  39  -0.354  -3.740  -3.818
  298   1HG   LYS  39          2HG       LYS  39  -0.481  -6.007  -1.851
  299   2HG   LYS  39          1HG       LYS  39   0.278  -5.979  -3.442
  300   1HD   LYS  39          2HD       LYS  39   1.937  -4.376  -2.625
  301   2HD   LYS  39          1HD       LYS  39   1.169  -4.385  -1.037
  302   1HE   LYS  39          2HE       LYS  39   1.666  -6.773  -0.811
  303   2HE   LYS  39          1HE       LYS  39   2.431  -6.767  -2.399
  304   1HZ   LYS  39          1HZ       LYS  39   3.655  -4.746  -1.000
  305   2HZ   LYS  39          2HZ       LYS  39   4.306  -6.269  -1.347
  306   3HZ   LYS  39          3HZ       LYS  39   3.508  -6.005   0.120
  307    H    GLY  40           H        GLY  40  -0.255  -1.140  -3.119
  308   1HA   GLY  40          2HA       GLY  40  -2.983  -0.109  -3.454
  309   2HA   GLY  40          1HA       GLY  40  -1.742   0.948  -2.790
  310    H    VAL  41           H        VAL  41   0.387   0.553  -3.999
  311    HA   VAL  41           HA       VAL  41   0.299   1.927  -6.404
  312    HB   VAL  41           HB       VAL  41   2.365  -0.134  -5.629
  313   1HG1  VAL  41          1HG1      VAL  41   3.251   0.254  -7.628
  314   2HG1  VAL  41          2HG1      VAL  41   3.550   1.912  -7.106
  315   3HG1  VAL  41          3HG1      VAL  41   2.065   1.513  -7.971
  316   1HG2  VAL  41          1HG2      VAL  41   1.958   1.707  -3.971
  317   2HG2  VAL  41          2HG2      VAL  41   2.478   2.846  -5.215
  318   3HG2  VAL  41          3HG2      VAL  41   3.600   1.626  -4.611
  319    H    HIS  42           H        HIS  42   0.211  -1.506  -5.783
  320    HA   HIS  42           HA       HIS  42  -0.061  -2.219  -8.574
  321   1HB   HIS  42          2HB       HIS  42  -0.565  -4.013  -6.196
  322   2HB   HIS  42          1HB       HIS  42  -0.080  -4.474  -7.824
  323    HD1  HIS  42           1HD      HIS  42   2.444  -3.394  -8.458
  324    HD2  HIS  42           2HD      HIS  42   1.493  -4.065  -4.466
  325    HE1  HIS  42           1HE      HIS  42   4.647  -3.480  -7.247
  326    HE2  HIS  42           2HE      HIS  42   4.048  -3.842  -4.828
  327    H    VAL  43           H        VAL  43  -1.981  -1.848  -5.668
  328    HA   VAL  43           HA       VAL  43  -4.422  -2.663  -7.014
  329    HB   VAL  43           HB       VAL  43  -4.161  -1.656  -4.151
  330   1HG1  VAL  43          1HG1      VAL  43  -6.393  -1.706  -4.407
  331   2HG1  VAL  43          2HG1      VAL  43  -6.195  -3.455  -4.298
  332   3HG1  VAL  43          3HG1      VAL  43  -6.310  -2.681  -5.874
  333   1HG2  VAL  43          1HG2      VAL  43  -4.220  -4.541  -5.037
  334   2HG2  VAL  43          2HG2      VAL  43  -3.865  -3.885  -3.439
  335   3HG2  VAL  43          3HG2      VAL  43  -2.710  -3.671  -4.756
  336    H    ALA  44           H        ALA  44  -3.329  -0.355  -8.162
  337    HA   ALA  44           HA       ALA  44  -3.849   1.786  -8.764
  338   1HB   ALA  44          1HB       ALA  44  -6.594   1.652  -7.717
  339   2HB   ALA  44          2HB       ALA  44  -6.142   0.340  -8.804
  340   3HB   ALA  44          3HB       ALA  44  -6.016   2.015  -9.343
  341    H    GLU  45           H        GLU  45  -2.402   2.251  -6.851
  342    HA   GLU  45           HA       GLU  45  -3.359   2.960  -4.363
  343   1HB   GLU  45          2HB       GLU  45  -1.066   2.768  -4.391
  344   2HB   GLU  45          1HB       GLU  45  -0.904   3.616  -5.918
  345   1HG   GLU  45          2HG       GLU  45  -1.005   5.704  -4.902
  346   2HG   GLU  45          1HG       GLU  45  -1.715   5.069  -3.424
  347    H    ASP  46           H        ASP  46  -2.320   5.312  -6.815
  348    HA   ASP  46           HA       ASP  46  -3.662   7.445  -5.513
  349   1HB   ASP  46          2HB       ASP  46  -2.348   7.231  -8.219
  350   2HB   ASP  46          1HB       ASP  46  -3.077   8.720  -7.628
  351    H    VAL  47           H        VAL  47  -5.010   4.976  -7.251
  352    HA   VAL  47           HA       VAL  47  -6.913   6.576  -8.739
  353    HB   VAL  47           HB       VAL  47  -6.812   3.589  -8.284
  354   1HG1  VAL  47          1HG1      VAL  47  -9.065   4.424  -8.829
  355   2HG1  VAL  47          2HG1      VAL  47  -8.395   3.416 -10.114
  356   3HG1  VAL  47          3HG1      VAL  47  -8.417   5.171 -10.289
  357   1HG2  VAL  47          1HG2      VAL  47  -5.392   5.368 -10.102
  358   2HG2  VAL  47          2HG2      VAL  47  -6.246   4.066 -10.931
  359   3HG2  VAL  47          3HG2      VAL  47  -5.066   3.688  -9.675
  360    H    ALA  48           H        ALA  48  -6.844   4.583  -5.831
  361    HA   ALA  48           HA       ALA  48  -9.660   5.139  -5.328
  362   1HB   ALA  48          1HB       ALA  48  -9.280   2.956  -4.774
  363   2HB   ALA  48          2HB       ALA  48  -9.048   3.724  -3.206
  364   3HB   ALA  48          3HB       ALA  48  -7.652   3.270  -4.182
  365    H    LYS  49           H        LYS  49  -6.499   6.104  -4.228
  366    HA   LYS  49           HA       LYS  49  -6.945   7.222  -1.761
  367   1HB   LYS  49          2HB       LYS  49  -4.758   7.218  -2.849
  368   2HB   LYS  49          1HB       LYS  49  -5.327   8.362  -4.046
  369   1HG   LYS  49          2HG       LYS  49  -5.639  10.033  -2.272
  370   2HG   LYS  49          1HG       LYS  49  -4.995   8.883  -1.101
  371   1HD   LYS  49          2HD       LYS  49  -2.885   8.802  -2.359
  372   2HD   LYS  49          1HD       LYS  49  -3.532   9.985  -3.499
  373   1HE   LYS  49          2HE       LYS  49  -3.100  10.421  -0.545
  374   2HE   LYS  49          1HE       LYS  49  -2.079  11.042  -1.841
  375   1HZ   LYS  49          1HZ       LYS  49  -4.740  11.911  -0.991
  376   2HZ   LYS  49          2HZ       LYS  49  -4.362  12.034  -2.635
  377   3HZ   LYS  49          3HZ       LYS  49  -3.411  12.832  -1.486
  378    H    ASP  50           H        ASP  50  -7.199   8.947  -4.826
  379    HA   ASP  50           HA       ASP  50  -8.273  11.291  -3.833
  380   1HB   ASP  50          2HB       ASP  50  -7.401  10.630  -6.214
  381   2HB   ASP  50          1HB       ASP  50  -9.081  10.219  -6.514
  382    H    TYR  51           H        TYR  51  -9.813   8.331  -4.772
  383    HA   TYR  51           HA       TYR  51 -12.478   9.241  -4.706
  384   1HB   TYR  51          2HB       TYR  51 -11.759   7.183  -5.810
  385   2HB   TYR  51          1HB       TYR  51 -11.356   6.541  -4.218
  386    HD1  TYR  51           1HD      TYR  51 -14.274   8.031  -6.048
  387    HD2  TYR  51           2HD      TYR  51 -12.923   5.230  -3.133
  388    HE1  TYR  51           1HE      TYR  51 -16.569   7.177  -5.784
  389    HE2  TYR  51           2HE      TYR  51 -15.213   4.374  -2.883
  390    HH   TYR  51           HH       TYR  51 -17.558   5.267  -3.249
  391    H    GLU  52           H        GLU  52 -10.549   7.410  -2.421
  392    HA   GLU  52           HA       GLU  52 -12.601   7.459  -0.405
  393   1HB   GLU  52          2HB       GLU  52 -10.928   5.591  -0.847
  394   2HB   GLU  52          1HB       GLU  52  -9.715   6.606  -0.113
  395   1HG   GLU  52          2HG       GLU  52 -12.215   5.679   1.254
  396   2HG   GLU  52          1HG       GLU  52 -10.633   4.918   1.407
  397    H    ASP  53           H        ASP  53  -9.234   8.398  -0.371
  398    HA   ASP  53           HA       ASP  53  -9.098   9.898   1.896
  399   1HB   ASP  53          2HB       ASP  53  -7.400   9.275  -0.060
  400   2HB   ASP  53          1HB       ASP  53  -7.713  10.950  -0.518
  401    H    GLY  54           H        GLY  54 -10.354  10.839  -1.246
  402   1HA   GLY  54          2HA       GLY  54 -10.764  13.596  -0.472
  403   2HA   GLY  54          1HA       GLY  54 -11.242  12.851  -1.989
  404    H    LEU  55           H        LEU  55 -12.880  10.798  -1.162
  405    HA   LEU  55           HA       LEU  55 -15.258  12.230  -0.559
  406   1HB   LEU  55          2HB       LEU  55 -16.415  10.256  -0.969
  407   2HB   LEU  55          1HB       LEU  55 -15.006  10.127  -1.983
  408    HG   LEU  55           HG       LEU  55 -14.004   8.682  -0.131
  409   1HD1  LEU  55          1HD1      LEU  55 -15.202   8.066   1.643
  410   2HD1  LEU  55          2HD1      LEU  55 -16.631   7.747   0.666
  411   3HD1  LEU  55          3HD1      LEU  55 -16.300   9.378   1.237
  412   1HD2  LEU  55          1HD2      LEU  55 -16.222   7.123  -1.149
  413   2HD2  LEU  55          2HD2      LEU  55 -14.494   6.981  -1.470
  414   3HD2  LEU  55          3HD2      LEU  55 -15.468   8.128  -2.388
  415    H    GLU  56           H        GLU  56 -13.492   9.755   1.265
  416    HA   GLU  56           HA       GLU  56 -14.988  10.432   3.666
  417   1HB   GLU  56          2HB       GLU  56 -13.575   8.109   2.682
  418   2HB   GLU  56          1HB       GLU  56 -13.025   8.529   4.296
  419   1HG   GLU  56          2HG       GLU  56 -15.346   8.488   5.077
  420   2HG   GLU  56          1HG       GLU  56 -15.866   8.001   3.465
  421    H    TYR  57           H        TYR  57 -13.134  12.388   2.567
  422    HA   TYR  57           HA       TYR  57 -10.623  12.460   3.681
  423   1HB   TYR  57          2HB       TYR  57 -11.353  14.153   2.115
  424   2HB   TYR  57          1HB       TYR  57 -12.561  14.744   3.253
  425    HD1  TYR  57           1HD      TYR  57  -9.015  13.844   3.920
  426    HD2  TYR  57           2HD      TYR  57 -11.902  16.955   3.640
  427    HE1  TYR  57           1HE      TYR  57  -7.373  15.440   4.818
  428    HE2  TYR  57           2HE      TYR  57 -10.271  18.560   4.537
  429    HH   TYR  57           HH       TYR  57  -8.249  18.613   5.818
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1 -22.911  11.317   7.677
    2   2H    GLY   1          2HT       GLY   1 -23.838  11.599   9.064
    3   3H    GLY   1          3HT       GLY   1 -23.302  10.034   8.709
    4   1HA   GLY   1          1HA       GLY   1 -21.968  12.140  10.100
    5   2HA   GLY   1          2HA       GLY   1 -21.597  10.423  10.057
    6    H    SER   2           H        SER   2 -21.083  10.025   7.386
    7    HA   SER   2           HA       SER   2 -19.281  11.958   6.314
    8   1HB   SER   2          2HB       SER   2 -18.024   9.449   7.462
    9   2HB   SER   2          1HB       SER   2 -17.191  10.761   6.631
   10    HG   SER   2           HG       SER   2 -16.944  11.105   8.801
   11    H    GLN   3           H        GLN   3 -17.604   9.968   4.958
   12    HA   GLN   3           HA       GLN   3 -17.605   8.708   3.070
   13   1HB   GLN   3          2HB       GLN   3 -20.205   7.741   4.259
   14   2HB   GLN   3          1HB       GLN   3 -19.482   7.046   2.816
   15   1HG   GLN   3          2HG       GLN   3 -17.527   6.394   4.078
   16   2HG   GLN   3          1HG       GLN   3 -18.188   7.146   5.530
   17   1HE2  GLN   3          1HE2      GLN   3 -19.027   5.755   6.894
   18   2HE2  GLN   3          2HE2      GLN   3 -19.808   4.268   6.492
   19    H    VAL   4           H        VAL   4 -17.973   9.246   0.998
   20    HA   VAL   4           HA       VAL   4 -20.127  11.122   0.459
   21    HB   VAL   4           HB       VAL   4 -17.857  10.134  -1.295
   22   1HG1  VAL   4          1HG1      VAL   4 -20.336  11.455  -2.011
   23   2HG1  VAL   4          2HG1      VAL   4 -19.068  10.802  -3.049
   24   3HG1  VAL   4          3HG1      VAL   4 -18.933  12.444  -2.419
   25   1HG2  VAL   4          1HG2      VAL   4 -17.119  12.501  -1.077
   26   2HG2  VAL   4          2HG2      VAL   4 -17.101  11.602   0.439
   27   3HG2  VAL   4          3HG2      VAL   4 -18.399  12.745   0.110
   28    H    PHE   5           H        PHE   5 -18.917   8.442  -1.543
   29    HA   PHE   5           HA       PHE   5 -21.440   7.950  -2.660
   30   1HB   PHE   5          2HB       PHE   5 -18.947   7.471  -3.471
   31   2HB   PHE   5          1HB       PHE   5 -19.248   5.914  -2.707
   32    HD1  PHE   5           1HD      PHE   5 -21.527   8.113  -4.664
   33    HD2  PHE   5           2HD      PHE   5 -19.477   4.392  -4.428
   34    HE1  PHE   5           1HE      PHE   5 -22.689   7.349  -6.693
   35    HE2  PHE   5           2HE      PHE   5 -20.634   3.621  -6.457
   36    HZ   PHE   5           HZ       PHE   5 -22.243   5.099  -7.592
   37    H    GLU   6           H        GLU   6 -21.173   5.039  -2.534
   38    HA   GLU   6           HA       GLU   6 -22.620   4.562  -0.097
   39   1HB   GLU   6          2HB       GLU   6 -22.041   3.097  -2.627
   40   2HB   GLU   6          1HB       GLU   6 -22.711   2.230  -1.248
   41   1HG   GLU   6          2HG       GLU   6 -23.955   4.596  -2.637
   42   2HG   GLU   6          1HG       GLU   6 -24.450   2.914  -2.817
   43    H    TYR   7           H        TYR   7 -19.781   3.376  -1.781
   44    HA   TYR   7           HA       TYR   7 -17.862   2.427  -1.152
   45   1HB   TYR   7          2HB       TYR   7 -18.647   3.877   1.260
   46   2HB   TYR   7          1HB       TYR   7 -17.557   2.522   1.556
   47    HD1  TYR   7           1HD      TYR   7 -15.600   2.404  -0.378
   48    HD2  TYR   7           2HD      TYR   7 -17.623   5.890   0.957
   49    HE1  TYR   7           1HE      TYR   7 -13.695   3.794  -1.098
   50    HE2  TYR   7           2HE      TYR   7 -15.753   7.286   0.244
   51    HH   TYR   7           HH       TYR   7 -12.771   6.163  -0.336
   52    H    ALA   8           H        ALA   8 -20.016   0.760  -1.527
   53    HA   ALA   8           HA       ALA   8 -19.426  -1.426   0.358
   54   1HB   ALA   8          1HB       ALA   8 -21.992  -1.090  -1.211
   55   2HB   ALA   8          2HB       ALA   8 -21.803  -0.594   0.471
   56   3HB   ALA   8          3HB       ALA   8 -21.647  -2.295   0.029
   57    H    GLU   9           H        GLU   9 -17.778  -0.865  -1.649
   58    HA   GLU   9           HA       GLU   9 -18.194  -1.743  -4.170
   59   1HB   GLU   9          2HB       GLU   9 -15.586  -2.544  -3.121
   60   2HB   GLU   9          1HB       GLU   9 -16.000  -1.520  -4.462
   61   1HG   GLU   9          2HG       GLU   9 -15.752  -0.786  -1.616
   62   2HG   GLU   9          1HG       GLU   9 -14.736  -0.326  -2.938
   63    H    VAL  10           H        VAL  10 -17.042  -3.578  -1.411
   64    HA   VAL  10           HA       VAL  10 -16.682  -5.780  -1.054
   65    HB   VAL  10           HB       VAL  10 -19.124  -5.560  -1.080
   66   1HG1  VAL  10          1HG1      VAL  10 -20.178  -6.942  -3.066
   67   2HG1  VAL  10          2HG1      VAL  10 -18.787  -6.288  -3.929
   68   3HG1  VAL  10          3HG1      VAL  10 -19.941  -5.198  -3.165
   69   1HG2  VAL  10          1HG2      VAL  10 -17.557  -7.808  -0.900
   70   2HG2  VAL  10          2HG2      VAL  10 -18.865  -8.307  -1.972
   71   3HG2  VAL  10          3HG2      VAL  10 -19.231  -7.672  -0.368
   72    H    ASP  11           H        ASP  11 -15.287  -4.690  -3.095
   73    HA   ASP  11           HA       ASP  11 -13.909  -6.600  -4.355
   74   1HB   ASP  11          2HB       ASP  11 -16.529  -6.461  -5.603
   75   2HB   ASP  11          1HB       ASP  11 -15.235  -6.213  -6.767
   76    H    GLU  12           H        GLU  12 -15.288  -3.410  -4.737
   77    HA   GLU  12           HA       GLU  12 -13.063  -2.619  -6.523
   78   1HB   GLU  12          2HB       GLU  12 -15.558  -1.017  -6.185
   79   2HB   GLU  12          1HB       GLU  12 -14.427  -1.020  -7.527
   80   1HG   GLU  12          2HG       GLU  12 -15.171  -3.263  -8.154
   81   2HG   GLU  12          1HG       GLU  12 -16.322  -3.244  -6.817
   82    H    ILE  13           H        ILE  13 -11.982  -2.473  -4.371
   83    HA   ILE  13           HA       ILE  13 -11.165  -1.415  -2.475
   84    HB   ILE  13           HB       ILE  13  -9.911   0.528  -3.053
   85   1HG1  ILE  13          2HG1      ILE  13 -10.338   1.388  -5.542
   86   2HG1  ILE  13          1HG1      ILE  13 -11.979   0.878  -5.167
   87   1HG2  ILE  13          1HG2      ILE  13  -9.976  -0.943  -5.648
   88   2HG2  ILE  13          2HG2      ILE  13  -9.516  -1.788  -4.171
   89   3HG2  ILE  13          3HG2      ILE  13  -8.591  -0.388  -4.708
   90   1HD1  ILE  13          1HD1      ILE  13 -12.310   2.803  -4.139
   91   2HD1  ILE  13          2HD1      ILE  13 -10.636   3.271  -4.435
   92   3HD1  ILE  13          3HD1      ILE  13 -11.057   2.384  -2.969
   93    H    VAL  14           H        VAL  14 -11.940  -0.624  -0.691
   94    HA   VAL  14           HA       VAL  14 -14.012   1.444  -0.787
   95    HB   VAL  14           HB       VAL  14 -13.963  -1.080   0.538
   96   1HG1  VAL  14          1HG1      VAL  14 -14.108   1.182   2.536
   97   2HG1  VAL  14          2HG1      VAL  14 -12.832  -0.033   2.442
   98   3HG1  VAL  14          3HG1      VAL  14 -14.478  -0.512   2.856
   99   1HG2  VAL  14          1HG2      VAL  14 -16.062   0.833   1.309
  100   2HG2  VAL  14          2HG2      VAL  14 -16.192  -0.790   0.635
  101   3HG2  VAL  14          3HG2      VAL  14 -15.848   0.575  -0.418
  102    H    GLU  15           H        GLU  15 -10.885   0.531   0.593
  103    HA   GLU  15           HA       GLU  15 -10.910   3.216   1.822
  104   1HB   GLU  15          2HB       GLU  15 -10.984   0.855   3.289
  105   2HB   GLU  15          1HB       GLU  15  -9.288   1.351   3.341
  106   1HG   GLU  15          2HG       GLU  15 -10.240   2.408   5.187
  107   2HG   GLU  15          1HG       GLU  15 -10.122   3.674   3.955
  108    H    LYS  16           H        LYS  16  -8.490   3.341   2.980
  109    HA   LYS  16           HA       LYS  16  -6.272   2.546   1.472
  110   1HB   LYS  16          2HB       LYS  16  -5.843   4.340   0.048
  111   2HB   LYS  16          1HB       LYS  16  -7.556   4.021  -0.167
  112   1HG   LYS  16          2HG       LYS  16  -6.252   6.297   1.281
  113   2HG   LYS  16          1HG       LYS  16  -7.384   6.347  -0.064
  114   1HD   LYS  16          2HD       LYS  16  -9.198   5.713   1.323
  115   2HD   LYS  16          1HD       LYS  16  -8.132   5.301   2.659
  116   1HE   LYS  16          2HE       LYS  16  -7.412   7.726   2.657
  117   2HE   LYS  16          1HE       LYS  16  -8.762   8.024   1.576
  118   1HZ   LYS  16          1HZ       LYS  16  -9.580   6.535   3.851
  119   2HZ   LYS  16          2HZ       LYS  16 -10.163   8.017   3.277
  120   3HZ   LYS  16          3HZ       LYS  16  -8.830   7.978   4.316
  121    H    ARG  17           H        ARG  17  -4.763   4.974   1.621
  122    HA   ARG  17           HA       ARG  17  -3.392   6.077   3.037
  123   1HB   ARG  17          2HB       ARG  17  -6.102   6.483   4.221
  124   2HB   ARG  17          1HB       ARG  17  -4.692   7.103   5.069
  125   1HG   ARG  17          2HG       ARG  17  -5.416   7.761   2.222
  126   2HG   ARG  17          1HG       ARG  17  -5.764   8.779   3.620
  127   1HD   ARG  17          2HD       ARG  17  -3.024   7.928   2.684
  128   2HD   ARG  17          1HD       ARG  17  -3.743   9.518   2.454
  129    HE   ARG  17           HE       ARG  17  -2.433   8.574   4.783
  130   1HH1  ARG  17          1HH1      ARG  17  -5.069  10.578   3.708
  131   2HH1  ARG  17          2HH1      ARG  17  -5.097  11.539   5.149
  132   1HH2  ARG  17          1HH2      ARG  17  -2.455   9.842   6.680
  133   2HH2  ARG  17          2HH2      ARG  17  -3.608  11.125   6.835
  134    H    GLY  18           H        GLY  18  -3.099   3.411   3.411
  135   1HA   GLY  18          2HA       GLY  18  -3.530   2.540   6.071
  136   2HA   GLY  18          1HA       GLY  18  -2.468   1.790   4.895
  137    H    LYS  19           H        LYS  19  -0.909   1.345   6.412
  138    HA   LYS  19           HA       LYS  19   0.205   2.903   8.355
  139   1HB   LYS  19          2HB       LYS  19   1.413   0.844   6.543
  140   2HB   LYS  19          1HB       LYS  19   2.378   1.630   7.780
  141   1HG   LYS  19          2HG       LYS  19   1.552  -0.515   8.551
  142   2HG   LYS  19          1HG       LYS  19   0.851   0.797   9.498
  143   1HD   LYS  19          2HD       LYS  19  -1.208   0.646   8.193
  144   2HD   LYS  19          1HD       LYS  19  -0.503  -0.644   7.216
  145   1HE   LYS  19          2HE       LYS  19  -1.059  -0.737  10.178
  146   2HE   LYS  19          1HE       LYS  19  -1.982  -1.556   8.917
  147   1HZ   LYS  19          1HZ       LYS  19  -0.486  -3.105   9.922
  148   2HZ   LYS  19          2HZ       LYS  19   0.839  -2.081   9.680
  149   3HZ   LYS  19          3HZ       LYS  19   0.065  -2.790   8.354
  150    H    GLY  20           H        GLY  20   2.598   3.685   8.264
  151   1HA   GLY  20          2HA       GLY  20   2.655   6.078   6.826
  152   2HA   GLY  20          1HA       GLY  20   4.044   5.336   7.605
  153    H    LYS  21           H        LYS  21   3.910   2.907   6.029
  154    HA   LYS  21           HA       LYS  21   4.536   3.899   3.342
  155   1HB   LYS  21          2HB       LYS  21   6.534   2.290   3.401
  156   2HB   LYS  21          1HB       LYS  21   6.686   3.822   4.248
  157   1HG   LYS  21          2HG       LYS  21   7.613   1.994   5.555
  158   2HG   LYS  21          1HG       LYS  21   6.224   2.716   6.366
  159   1HD   LYS  21          2HD       LYS  21   4.810   0.882   5.603
  160   2HD   LYS  21          1HD       LYS  21   6.176   0.173   4.739
  161   1HE   LYS  21          2HE       LYS  21   5.838  -0.966   6.850
  162   2HE   LYS  21          1HE       LYS  21   7.365  -0.085   6.874
  163   1HZ   LYS  21          1HZ       LYS  21   5.190   0.148   8.634
  164   2HZ   LYS  21          2HZ       LYS  21   5.385   1.626   7.836
  165   3HZ   LYS  21          3HZ       LYS  21   6.679   0.951   8.689
  166    H    ASP  22           H        ASP  22   2.184   2.674   3.732
  167    HA   ASP  22           HA       ASP  22   2.369   0.407   2.044
  168   1HB   ASP  22          2HB       ASP  22   3.053  -0.697   4.130
  169   2HB   ASP  22          1HB       ASP  22   1.566  -0.157   4.903
  170    H    VAL  23           H        VAL  23   1.046   2.431   1.391
  171    HA   VAL  23           HA       VAL  23  -1.732   2.371   2.251
  172    HB   VAL  23           HB       VAL  23  -0.356   3.965   0.088
  173   1HG1  VAL  23          1HG1      VAL  23  -2.697   5.235   1.095
  174   2HG1  VAL  23          2HG1      VAL  23  -3.115   3.579   0.656
  175   3HG1  VAL  23          3HG1      VAL  23  -2.379   4.650  -0.539
  176   1HG2  VAL  23          1HG2      VAL  23   0.300   4.284   2.584
  177   2HG2  VAL  23          2HG2      VAL  23  -1.259   5.095   2.709
  178   3HG2  VAL  23          3HG2      VAL  23  -0.038   5.700   1.590
  179    H    GLU  24           H        GLU  24  -3.399   1.535   1.040
  180    HA   GLU  24           HA       GLU  24  -3.053   0.777  -1.694
  181   1HB   GLU  24          2HB       GLU  24  -2.143  -1.210  -0.256
  182   2HB   GLU  24          1HB       GLU  24  -3.823  -1.506   0.075
  183   1HG   GLU  24          2HG       GLU  24  -3.182  -1.109  -2.707
  184   2HG   GLU  24          1HG       GLU  24  -2.588  -2.572  -2.006
  185    H    TYR  25           H        TYR  25  -4.929  -0.185  -2.591
  186    HA   TYR  25           HA       TYR  25  -7.364   0.700  -1.263
  187   1HB   TYR  25          2HB       TYR  25  -6.688   0.825  -4.221
  188   2HB   TYR  25          1HB       TYR  25  -8.197   1.382  -3.463
  189    HD1  TYR  25           1HD      TYR  25  -4.514   1.759  -3.240
  190    HD2  TYR  25           2HD      TYR  25  -8.327   3.521  -2.643
  191    HE1  TYR  25           1HE      TYR  25  -3.413   3.820  -2.553
  192    HE2  TYR  25           2HE      TYR  25  -7.252   5.624  -1.990
  193    HH   TYR  25           HH       TYR  25  -4.541   6.015  -0.879
  194    H    LEU  26           H        LEU  26  -8.071  -1.053  -0.443
  195    HA   LEU  26           HA       LEU  26  -9.504  -2.932  -1.853
  196   1HB   LEU  26          2HB       LEU  26  -6.812  -3.423  -1.964
  197   2HB   LEU  26          1HB       LEU  26  -7.398  -4.557  -0.780
  198    HG   LEU  26           HG       LEU  26  -8.553  -4.294  -3.534
  199   1HD1  LEU  26          1HD1      LEU  26  -6.287  -4.854  -3.917
  200   2HD1  LEU  26          2HD1      LEU  26  -7.196  -6.362  -4.019
  201   3HD1  LEU  26          3HD1      LEU  26  -6.268  -5.987  -2.565
  202   1HD2  LEU  26          1HD2      LEU  26  -9.547  -6.400  -3.113
  203   2HD2  LEU  26          2HD2      LEU  26  -9.834  -5.434  -1.664
  204   3HD2  LEU  26          3HD2      LEU  26  -8.554  -6.649  -1.681
  205    H    VAL  27           H        VAL  27 -10.762  -2.003  -0.163
  206    HA   VAL  27           HA       VAL  27 -10.444  -3.483   2.295
  207    HB   VAL  27           HB       VAL  27 -10.982  -0.568   2.176
  208   1HG1  VAL  27          1HG1      VAL  27 -10.336  -1.335   4.793
  209   2HG1  VAL  27          2HG1      VAL  27 -11.525  -2.506   4.221
  210   3HG1  VAL  27          3HG1      VAL  27 -11.899  -0.782   4.193
  211   1HG2  VAL  27          1HG2      VAL  27  -8.552  -2.154   2.897
  212   2HG2  VAL  27          2HG2      VAL  27  -8.794  -0.520   3.512
  213   3HG2  VAL  27          3HG2      VAL  27  -8.698  -0.803   1.773
  214    H    ARG  28           H        ARG  28 -12.182  -3.764   0.045
  215    HA   ARG  28           HA       ARG  28 -14.808  -3.053   1.104
  216   1HB   ARG  28          2HB       ARG  28 -15.207  -3.583  -1.524
  217   2HB   ARG  28          1HB       ARG  28 -14.940  -2.015  -0.825
  218   1HG   ARG  28          2HG       ARG  28 -13.651  -2.363  -2.818
  219   2HG   ARG  28          1HG       ARG  28 -12.600  -2.114  -1.455
  220   1HD   ARG  28          2HD       ARG  28 -12.146  -4.524  -1.371
  221   2HD   ARG  28          1HD       ARG  28 -13.254  -4.774  -2.680
  222    HE   ARG  28           HE       ARG  28 -10.904  -3.128  -3.138
  223   1HH1  ARG  28          1HH1      ARG  28 -12.307  -6.284  -3.390
  224   2HH1  ARG  28          2HH1      ARG  28 -11.415  -6.720  -4.804
  225   1HH2  ARG  28          1HH2      ARG  28  -9.720  -3.680  -5.015
  226   2HH2  ARG  28          2HH2      ARG  28  -9.939  -5.247  -5.719
  227    H    TRP  29           H        TRP  29 -13.401  -5.542  -0.887
  228    HA   TRP  29           HA       TRP  29 -15.468  -7.153  -1.216
  229   1HB   TRP  29          2HB       TRP  29 -13.786  -8.925  -1.669
  230   2HB   TRP  29          1HB       TRP  29 -13.539  -7.411  -2.519
  231    HD1  TRP  29           HD       TRP  29 -11.191  -9.308  -2.476
  232    HE1  TRP  29           1HE      TRP  29  -9.003  -8.841  -1.205
  233    HE3  TRP  29           3HE      TRP  29 -12.834  -5.816   0.939
  234    HZ2  TRP  29           2HZ      TRP  29  -8.079  -7.247   0.886
  235    HZ3  TRP  29           3HZ      TRP  29 -11.270  -4.928   2.525
  236    HH2  TRP  29           HH       TRP  29  -8.922  -5.605   2.497
  237    H    LYS  30           H        LYS  30 -13.047  -8.486   0.815
  238    HA   LYS  30           HA       LYS  30 -15.035  -9.761   2.431
  239   1HB   LYS  30          2HB       LYS  30 -12.026 -10.003   2.377
  240   2HB   LYS  30          1HB       LYS  30 -13.054 -10.899   3.488
  241   1HG   LYS  30          2HG       LYS  30 -14.182 -11.943   1.581
  242   2HG   LYS  30          1HG       LYS  30 -13.118 -11.061   0.483
  243   1HD   LYS  30          2HD       LYS  30 -11.176 -12.175   1.460
  244   2HD   LYS  30          1HD       LYS  30 -12.229 -13.042   2.578
  245   1HE   LYS  30          2HE       LYS  30 -13.344 -14.119   0.681
  246   2HE   LYS  30          1HE       LYS  30 -12.281 -13.256  -0.430
  247   1HZ   LYS  30          1HZ       LYS  30 -10.540 -14.450   1.249
  248   2HZ   LYS  30          2HZ       LYS  30 -11.003 -15.060  -0.259
  249   3HZ   LYS  30          3HZ       LYS  30 -11.768 -15.610   1.146
  250    H    ASP  31           H        ASP  31 -11.996  -8.728   3.812
  251    HA   ASP  31           HA       ASP  31 -11.571  -7.722   5.804
  252   1HB   ASP  31          2HB       ASP  31 -12.043  -5.336   5.715
  253   2HB   ASP  31          1HB       ASP  31 -11.560  -5.931   4.132
  254    H    GLY  32           H        GLY  32 -12.899  -5.872   7.323
  255   1HA   GLY  32          2HA       GLY  32 -15.443  -6.005   8.102
  256   2HA   GLY  32          1HA       GLY  32 -14.841  -7.562   8.669
  257    H    GLY  33           H        GLY  33 -13.610  -7.661  10.479
  258   1HA   GLY  33          2HA       GLY  33 -13.602  -5.438  12.247
  259   2HA   GLY  33          1HA       GLY  33 -12.742  -6.956  12.493
  260    H    ASP  34           H        ASP  34 -11.337  -6.690   9.915
  261    HA   ASP  34           HA       ASP  34  -9.570  -4.405  10.444
  262   1HB   ASP  34          2HB       ASP  34  -8.580  -6.410  11.498
  263   2HB   ASP  34          1HB       ASP  34  -8.622  -7.230   9.938
  264    H    CYS  35           H        CYS  35  -8.200  -3.821   8.626
  265    HA   CYS  35           HA       CYS  35  -9.565  -4.231   6.098
  266   1HB   CYS  35          2HB       CYS  35  -8.026  -2.499   5.250
  267   2HB   CYS  35          1HB       CYS  35  -8.888  -1.971   6.689
  268    HG   CYS  35           HG       CYS  35  -6.287  -3.159   7.997
  269    H    GLU  36           H        GLU  36  -8.723  -5.277   4.309
  270    HA   GLU  36           HA       GLU  36  -6.211  -6.727   4.787
  271   1HB   GLU  36          2HB       GLU  36  -7.814  -7.896   2.674
  272   2HB   GLU  36          1HB       GLU  36  -7.118  -8.645   4.095
  273   1HG   GLU  36          2HG       GLU  36  -9.080  -7.732   5.391
  274   2HG   GLU  36          1HG       GLU  36  -9.797  -7.315   3.831
  275    H    TRP  37           H        TRP  37  -6.725  -4.045   3.504
  276    HA   TRP  37           HA       TRP  37  -6.367  -4.141   0.740
  277   1HB   TRP  37          2HB       TRP  37  -5.772  -1.925   0.838
  278   2HB   TRP  37          1HB       TRP  37  -6.737  -2.131   2.253
  279    HD1  TRP  37           HD       TRP  37  -4.223  -0.218   1.306
  280    HE1  TRP  37           1HE      TRP  37  -2.477   0.368   3.138
  281    HE3  TRP  37           3HE      TRP  37  -5.255  -3.931   4.620
  282    HZ2  TRP  37           2HZ      TRP  37  -1.697  -0.665   5.648
  283    HZ3  TRP  37           3HZ      TRP  37  -3.988  -4.079   6.696
  284    HH2  TRP  37           HH       TRP  37  -2.237  -2.473   7.202
  285    H    VAL  38           H        VAL  38  -4.518  -4.302  -0.555
  286    HA   VAL  38           HA       VAL  38  -2.249  -5.612   0.706
  287    HB   VAL  38           HB       VAL  38  -2.774  -5.287  -2.246
  288   1HG1  VAL  38          1HG1      VAL  38  -1.231  -7.572  -1.221
  289   2HG1  VAL  38          2HG1      VAL  38  -0.450  -6.000  -1.046
  290   3HG1  VAL  38          3HG1      VAL  38  -0.957  -6.560  -2.641
  291   1HG2  VAL  38          1HG2      VAL  38  -4.620  -6.480  -1.312
  292   2HG2  VAL  38          2HG2      VAL  38  -3.549  -7.487  -0.339
  293   3HG2  VAL  38          3HG2      VAL  38  -3.562  -7.656  -2.094
  294    H    LYS  39           H        LYS  39  -1.171  -4.236  -2.209
  295    HA   LYS  39           HA       LYS  39   0.044  -1.956  -0.830
  296   1HB   LYS  39          2HB       LYS  39   1.245  -3.681  -3.004
  297   2HB   LYS  39          1HB       LYS  39   1.976  -2.211  -2.376
  298   1HG   LYS  39          2HG       LYS  39   2.103  -3.246  -0.151
  299   2HG   LYS  39          1HG       LYS  39   1.426  -4.731  -0.823
  300   1HD   LYS  39          2HD       LYS  39   3.337  -4.933  -2.328
  301   2HD   LYS  39          1HD       LYS  39   4.007  -3.430  -1.692
  302   1HE   LYS  39          2HE       LYS  39   4.165  -4.457   0.533
  303   2HE   LYS  39          1HE       LYS  39   3.525  -5.962  -0.126
  304   1HZ   LYS  39          1HZ       LYS  39   5.456  -6.404  -1.238
  305   2HZ   LYS  39          2HZ       LYS  39   6.079  -5.599   0.113
  306   3HZ   LYS  39          3HZ       LYS  39   5.912  -4.779  -1.356
  307    H    GLY  40           H        GLY  40  -0.725  -0.137  -1.502
  308   1HA   GLY  40          2HA       GLY  40  -2.366   0.306  -3.743
  309   2HA   GLY  40          1HA       GLY  40  -1.629   1.546  -2.748
  310    H    VAL  41           H        VAL  41   1.014   1.312  -3.176
  311    HA   VAL  41           HA       VAL  41   1.533   2.700  -5.464
  312    HB   VAL  41           HB       VAL  41   3.337   0.695  -4.113
  313   1HG1  VAL  41          1HG1      VAL  41   4.931   2.632  -5.296
  314   2HG1  VAL  41          2HG1      VAL  41   3.730   2.248  -6.531
  315   3HG1  VAL  41          3HG1      VAL  41   4.728   0.967  -5.841
  316   1HG2  VAL  41          1HG2      VAL  41   4.352   2.977  -3.335
  317   2HG2  VAL  41          2HG2      VAL  41   2.948   2.292  -2.514
  318   3HG2  VAL  41          3HG2      VAL  41   2.736   3.582  -3.700
  319    H    HIS  42           H        HIS  42   1.083  -0.717  -5.095
  320    HA   HIS  42           HA       HIS  42   1.658  -1.237  -7.908
  321   1HB   HIS  42          2HB       HIS  42   0.891  -3.106  -5.649
  322   2HB   HIS  42          1HB       HIS  42   1.256  -3.612  -7.295
  323    HD1  HIS  42           1HD      HIS  42   3.813  -2.526  -8.032
  324    HD2  HIS  42           2HD      HIS  42   3.031  -3.498  -4.069
  325    HE1  HIS  42           1HE      HIS  42   6.066  -2.819  -6.955
  326    HE2  HIS  42           2HE      HIS  42   5.570  -3.349  -4.543
  327    H    VAL  43           H        VAL  43  -0.938  -1.186  -5.543
  328    HA   VAL  43           HA       VAL  43  -2.951  -1.914  -7.509
  329    HB   VAL  43           HB       VAL  43  -3.350  -1.110  -4.607
  330   1HG1  VAL  43          1HG1      VAL  43  -5.388  -2.804  -5.404
  331   2HG1  VAL  43          2HG1      VAL  43  -5.150  -1.752  -6.800
  332   3HG1  VAL  43          3HG1      VAL  43  -5.495  -1.054  -5.219
  333   1HG2  VAL  43          1HG2      VAL  43  -3.707  -3.918  -5.281
  334   2HG2  VAL  43          2HG2      VAL  43  -2.805  -3.177  -3.961
  335   3HG2  VAL  43          3HG2      VAL  43  -2.054  -3.366  -5.546
  336    H    ALA  44           H        ALA  44  -1.650   0.457  -8.215
  337    HA   ALA  44           HA       ALA  44  -2.020   2.640  -8.791
  338   1HB   ALA  44          1HB       ALA  44  -4.935   2.472  -8.505
  339   2HB   ALA  44          2HB       ALA  44  -4.212   1.213  -9.508
  340   3HB   ALA  44          3HB       ALA  44  -3.953   2.912  -9.903
  341    H    GLU  45           H        GLU  45  -1.184   2.757  -6.380
  342    HA   GLU  45           HA       GLU  45  -2.894   3.595  -4.366
  343   1HB   GLU  45          2HB       GLU  45  -0.851   3.173  -3.458
  344   2HB   GLU  45          1HB       GLU  45   0.015   3.757  -4.866
  345   1HG   GLU  45          2HG       GLU  45  -0.018   5.958  -4.113
  346   2HG   GLU  45          1HG       GLU  45  -1.333   5.661  -2.981
  347    H    ASP  46           H        ASP  46  -1.175   5.533  -6.785
  348    HA   ASP  46           HA       ASP  46  -2.281   7.959  -5.746
  349   1HB   ASP  46          2HB       ASP  46  -0.708   7.398  -8.261
  350   2HB   ASP  46          1HB       ASP  46  -1.195   9.008  -7.741
  351    H    VAL  47           H        VAL  47  -4.093   5.728  -7.033
  352    HA   VAL  47           HA       VAL  47  -5.471   7.600  -8.864
  353    HB   VAL  47           HB       VAL  47  -5.557   4.567  -8.858
  354   1HG1  VAL  47          1HG1      VAL  47  -7.551   4.884  -9.835
  355   2HG1  VAL  47          2HG1      VAL  47  -6.621   5.408 -11.240
  356   3HG1  VAL  47          3HG1      VAL  47  -7.253   6.601 -10.106
  357   1HG2  VAL  47          1HG2      VAL  47  -3.460   5.263  -9.735
  358   2HG2  VAL  47          2HG2      VAL  47  -4.206   6.547 -10.686
  359   3HG2  VAL  47          3HG2      VAL  47  -4.480   4.859 -11.116
  360    H    ALA  48           H        ALA  48  -6.039   4.975  -6.534
  361    HA   ALA  48           HA       ALA  48  -8.785   5.821  -6.236
  362   1HB   ALA  48          1HB       ALA  48  -7.168   3.588  -5.065
  363   2HB   ALA  48          2HB       ALA  48  -8.544   3.505  -6.165
  364   3HB   ALA  48          3HB       ALA  48  -8.787   3.969  -4.481
  365    H    LYS  49           H        LYS  49  -5.798   6.700  -4.861
  366    HA   LYS  49           HA       LYS  49  -6.402   7.193  -2.193
  367   1HB   LYS  49          2HB       LYS  49  -4.634   8.789  -2.164
  368   2HB   LYS  49          1HB       LYS  49  -4.154   7.520  -3.275
  369   1HG   LYS  49          2HG       LYS  49  -4.755   8.928  -5.168
  370   2HG   LYS  49          1HG       LYS  49  -5.266  10.202  -4.059
  371   1HD   LYS  49          2HD       LYS  49  -2.480   9.064  -4.188
  372   2HD   LYS  49          1HD       LYS  49  -2.991  10.560  -4.970
  373   1HE   LYS  49          2HE       LYS  49  -3.593  11.485  -2.782
  374   2HE   LYS  49          1HE       LYS  49  -3.071   9.988  -2.009
  375   1HZ   LYS  49          1HZ       LYS  49  -0.832  10.388  -2.791
  376   2HZ   LYS  49          2HZ       LYS  49  -1.374  11.716  -1.894
  377   3HZ   LYS  49          3HZ       LYS  49  -1.322  11.801  -3.582
  378    H    ASP  50           H        ASP  50  -6.866   9.291  -4.974
  379    HA   ASP  50           HA       ASP  50  -8.103  11.355  -3.551
  380   1HB   ASP  50          2HB       ASP  50  -7.905  10.582  -6.429
  381   2HB   ASP  50          1HB       ASP  50  -8.963  11.915  -5.960
  382    H    TYR  51           H        TYR  51  -9.296   8.360  -4.745
  383    HA   TYR  51           HA       TYR  51 -11.991   8.949  -5.068
  384   1HB   TYR  51          2HB       TYR  51 -10.929   6.807  -5.688
  385   2HB   TYR  51          1HB       TYR  51 -10.867   6.429  -3.973
  386    HD1  TYR  51           1HD      TYR  51 -13.299   7.430  -6.604
  387    HD2  TYR  51           2HD      TYR  51 -12.645   5.274  -2.996
  388    HE1  TYR  51           1HE      TYR  51 -15.604   6.583  -6.701
  389    HE2  TYR  51           2HE      TYR  51 -14.950   4.410  -3.096
  390    HH   TYR  51           HH       TYR  51 -17.185   5.251  -4.183
  391    H    GLU  52           H        GLU  52 -10.386   7.614  -2.187
  392    HA   GLU  52           HA       GLU  52 -12.764   8.206  -0.607
  393   1HB   GLU  52          2HB       GLU  52 -11.124   6.088  -0.492
  394   2HB   GLU  52          1HB       GLU  52 -10.315   7.127   0.671
  395   1HG   GLU  52          2HG       GLU  52 -12.966   7.309   1.387
  396   2HG   GLU  52          1HG       GLU  52 -12.772   5.625   0.924
  397    H    ASP  53           H        ASP  53  -9.281   8.670  -0.172
  398    HA   ASP  53           HA       ASP  53  -9.085  10.355   1.873
  399   1HB   ASP  53          2HB       ASP  53  -6.990  10.871   1.137
  400   2HB   ASP  53          1HB       ASP  53  -7.346   9.633  -0.058
  401    H    GLY  54           H        GLY  54 -10.373  11.276  -1.251
  402   1HA   GLY  54          2HA       GLY  54 -10.751  14.046  -0.431
  403   2HA   GLY  54          1HA       GLY  54 -11.158  13.356  -1.997
  404    H    LEU  55           H        LEU  55 -12.750  11.228  -1.256
  405    HA   LEU  55           HA       LEU  55 -15.225  12.540  -0.702
  406   1HB   LEU  55          2HB       LEU  55 -14.417   9.708  -1.214
  407   2HB   LEU  55          1HB       LEU  55 -16.028  10.063  -0.623
  408    HG   LEU  55           HG       LEU  55 -16.515  11.398  -2.580
  409   1HD1  LEU  55          1HD1      LEU  55 -13.611  11.243  -2.966
  410   2HD1  LEU  55          2HD1      LEU  55 -14.760  12.486  -3.450
  411   3HD1  LEU  55          3HD1      LEU  55 -14.570  11.031  -4.427
  412   1HD2  LEU  55          1HD2      LEU  55 -15.696   8.602  -2.740
  413   2HD2  LEU  55          2HD2      LEU  55 -15.717   9.424  -4.300
  414   3HD2  LEU  55          3HD2      LEU  55 -17.171   9.388  -3.300
  415    H    GLU  56           H        GLU  56 -14.461   9.502   0.904
  416    HA   GLU  56           HA       GLU  56 -15.575  10.467   3.354
  417   1HB   GLU  56          2HB       GLU  56 -15.828   8.117   2.656
  418   2HB   GLU  56          1HB       GLU  56 -14.096   7.889   2.799
  419   1HG   GLU  56          2HG       GLU  56 -14.308   8.489   5.226
  420   2HG   GLU  56          1HG       GLU  56 -16.053   8.453   5.007
  421    H    TYR  57           H        TYR  57 -13.797  12.287   3.149
  422    HA   TYR  57           HA       TYR  57 -11.136  11.806   3.801
  423   1HB   TYR  57          2HB       TYR  57 -11.925  13.986   3.030
  424   2HB   TYR  57          1HB       TYR  57 -12.850  14.197   4.514
  425    HD1  TYR  57           1HD      TYR  57  -9.363  12.974   4.015
  426    HD2  TYR  57           2HD      TYR  57 -11.885  16.008   5.608
  427    HE1  TYR  57           1HE      TYR  57  -7.410  14.033   5.072
  428    HE2  TYR  57           2HE      TYR  57  -9.940  17.076   6.668
  429    HH   TYR  57           HH       TYR  57  -7.483  16.042   7.471
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1 -20.784   6.611  11.622
    2   2H    GLY   1          2HT       GLY   1 -19.581   7.578  10.931
    3   3H    GLY   1          3HT       GLY   1 -19.155   6.189  11.798
    4   1HA   GLY   1          1HA       GLY   1 -20.157   4.772  10.156
    5   2HA   GLY   1          2HA       GLY   1 -20.725   6.184   9.279
    6    H    SER   2           H        SER   2 -18.517   7.814   9.318
    7    HA   SER   2           HA       SER   2 -16.585   8.237   8.197
    8   1HB   SER   2          2HB       SER   2 -15.565   6.799   9.887
    9   2HB   SER   2          1HB       SER   2 -15.966   5.368   8.938
   10    HG   SER   2           HG       SER   2 -13.974   5.742   8.264
   11    H    GLN   3           H        GLN   3 -18.707   7.709   6.579
   12    HA   GLN   3           HA       GLN   3 -17.401   6.798   4.184
   13   1HB   GLN   3          2HB       GLN   3 -19.805   5.284   5.225
   14   2HB   GLN   3          1HB       GLN   3 -19.091   5.078   3.633
   15   1HG   GLN   3          2HG       GLN   3 -17.002   4.325   4.691
   16   2HG   GLN   3          1HG       GLN   3 -17.770   4.479   6.270
   17   1HE2  GLN   3          1HE2      GLN   3 -16.924   2.324   4.001
   18   2HE2  GLN   3          2HE2      GLN   3 -18.098   1.091   4.292
   19    H    VAL   4           H        VAL   4 -18.026   8.201   2.644
   20    HA   VAL   4           HA       VAL   4 -20.324   9.871   3.076
   21    HB   VAL   4           HB       VAL   4 -18.427   9.719   0.714
   22   1HG1  VAL   4          1HG1      VAL   4 -19.737  12.239   0.952
   23   2HG1  VAL   4          2HG1      VAL   4 -20.967  10.976   0.917
   24   3HG1  VAL   4          3HG1      VAL   4 -19.786  11.092  -0.388
   25   1HG2  VAL   4          1HG2      VAL   4 -17.116  10.552   2.391
   26   2HG2  VAL   4          2HG2      VAL   4 -18.480  11.229   3.279
   27   3HG2  VAL   4          3HG2      VAL   4 -17.872  12.048   1.840
   28    H    PHE   5           H        PHE   5 -19.441   7.974   0.182
   29    HA   PHE   5           HA       PHE   5 -22.118   7.910  -0.743
   30   1HB   PHE   5          2HB       PHE   5 -19.751   7.712  -1.967
   31   2HB   PHE   5          1HB       PHE   5 -20.055   5.993  -1.745
   32    HD1  PHE   5           1HD      PHE   5 -22.080   8.966  -2.788
   33    HD2  PHE   5           2HD      PHE   5 -20.890   4.959  -3.598
   34    HE1  PHE   5           1HE      PHE   5 -23.522   8.942  -4.779
   35    HE2  PHE   5           2HE      PHE   5 -22.324   4.935  -5.596
   36    HZ   PHE   5           HZ       PHE   5 -23.594   6.973  -6.223
   37    H    GLU   6           H        GLU   6 -21.966   5.099  -1.623
   38    HA   GLU   6           HA       GLU   6 -23.266   3.851   0.577
   39   1HB   GLU   6          2HB       GLU   6 -22.351   3.042  -2.150
   40   2HB   GLU   6          1HB       GLU   6 -23.027   1.852  -1.040
   41   1HG   GLU   6          2HG       GLU   6 -24.644   2.802  -2.669
   42   2HG   GLU   6          1HG       GLU   6 -25.121   2.982  -0.985
   43    H    TYR   7           H        TYR   7 -20.254   3.400  -1.174
   44    HA   TYR   7           HA       TYR   7 -18.256   2.589  -0.665
   45   1HB   TYR   7          2HB       TYR   7 -19.115   3.838   1.688
   46   2HB   TYR   7          1HB       TYR   7 -18.405   2.307   2.192
   47    HD1  TYR   7           1HD      TYR   7 -16.432   2.345  -0.314
   48    HD2  TYR   7           2HD      TYR   7 -17.338   5.096   2.802
   49    HE1  TYR   7           1HE      TYR   7 -14.189   3.304  -0.523
   50    HE2  TYR   7           2HE      TYR   7 -15.094   6.073   2.591
   51    HH   TYR   7           HH       TYR   7 -12.595   4.605   1.021
   52    H    ALA   8           H        ALA   8 -20.087   0.713  -1.407
   53    HA   ALA   8           HA       ALA   8 -19.346  -1.627   0.216
   54   1HB   ALA   8          1HB       ALA   8 -21.927  -0.906  -1.107
   55   2HB   ALA   8          2HB       ALA   8 -21.641  -1.644   0.468
   56   3HB   ALA   8          3HB       ALA   8 -21.468  -2.605  -0.999
   57    H    GLU   9           H        GLU   9 -17.552  -0.819  -1.483
   58    HA   GLU   9           HA       GLU   9 -17.679  -1.319  -4.151
   59   1HB   GLU   9          2HB       GLU   9 -15.176  -2.230  -2.960
   60   2HB   GLU   9          1HB       GLU   9 -15.467  -1.008  -4.164
   61   1HG   GLU   9          2HG       GLU   9 -15.573  -0.698  -1.206
   62   2HG   GLU   9          1HG       GLU   9 -14.417  -0.024  -2.306
   63    H    VAL  10           H        VAL  10 -16.776  -3.494  -1.546
   64    HA   VAL  10           HA       VAL  10 -16.478  -5.748  -1.434
   65    HB   VAL  10           HB       VAL  10 -18.913  -5.326  -1.630
   66   1HG1  VAL  10          1HG1      VAL  10 -18.420  -6.086  -4.472
   67   2HG1  VAL  10          2HG1      VAL  10 -19.373  -4.758  -3.818
   68   3HG1  VAL  10          3HG1      VAL  10 -19.973  -6.411  -3.707
   69   1HG2  VAL  10          1HG2      VAL  10 -18.043  -8.046  -2.580
   70   2HG2  VAL  10          2HG2      VAL  10 -19.490  -7.661  -1.649
   71   3HG2  VAL  10          3HG2      VAL  10 -17.895  -7.476  -0.917
   72    H    ASP  11           H        ASP  11 -15.007  -4.408  -3.383
   73    HA   ASP  11           HA       ASP  11 -13.590  -6.273  -4.684
   74   1HB   ASP  11          2HB       ASP  11 -16.112  -5.791  -6.149
   75   2HB   ASP  11          1HB       ASP  11 -14.652  -5.778  -7.133
   76    H    GLU  12           H        GLU  12 -14.832  -3.060  -4.610
   77    HA   GLU  12           HA       GLU  12 -12.559  -2.091  -6.226
   78   1HB   GLU  12          2HB       GLU  12 -15.216  -1.788  -6.737
   79   2HB   GLU  12          1HB       GLU  12 -14.844  -0.304  -5.868
   80   1HG   GLU  12          2HG       GLU  12 -13.066   0.189  -7.448
   81   2HG   GLU  12          1HG       GLU  12 -13.397  -1.330  -8.281
   82    H    ILE  13           H        ILE  13 -11.388  -2.091  -4.152
   83    HA   ILE  13           HA       ILE  13 -10.829  -1.272  -2.029
   84    HB   ILE  13           HB       ILE  13  -9.732   0.948  -2.422
   85   1HG1  ILE  13          2HG1      ILE  13 -11.443   1.664  -4.158
   86   2HG1  ILE  13          1HG1      ILE  13  -9.766   1.947  -4.579
   87   1HG2  ILE  13          1HG2      ILE  13  -9.133  -1.039  -4.607
   88   2HG2  ILE  13          2HG2      ILE  13  -8.805  -1.387  -2.914
   89   3HG2  ILE  13          3HG2      ILE  13  -8.005  -0.034  -3.707
   90   1HD1  ILE  13          1HD1      ILE  13 -11.739   0.529  -6.019
   91   2HD1  ILE  13          2HD1      ILE  13 -10.477  -0.613  -5.549
   92   3HD1  ILE  13          3HD1      ILE  13 -10.060   0.839  -6.462
   93    H    VAL  14           H        VAL  14 -11.877  -0.735  -0.286
   94    HA   VAL  14           HA       VAL  14 -13.847   1.415  -0.401
   95    HB   VAL  14           HB       VAL  14 -14.131  -1.120   0.622
   96   1HG1  VAL  14          1HG1      VAL  14 -12.727  -0.658   2.554
   97   2HG1  VAL  14          2HG1      VAL  14 -14.395  -0.943   3.036
   98   3HG1  VAL  14          3HG1      VAL  14 -13.754   0.700   2.995
   99   1HG2  VAL  14          1HG2      VAL  14 -15.725   1.183   1.684
  100   2HG2  VAL  14          2HG2      VAL  14 -16.262  -0.449   1.292
  101   3HG2  VAL  14          3HG2      VAL  14 -15.827   0.666   0.007
  102    H    GLU  15           H        GLU  15 -10.777   0.492   1.016
  103    HA   GLU  15           HA       GLU  15 -10.767   3.152   2.219
  104   1HB   GLU  15          2HB       GLU  15 -11.451   1.575   3.990
  105   2HB   GLU  15          1HB       GLU  15  -9.914   0.725   3.788
  106   1HG   GLU  15          2HG       GLU  15  -8.717   2.786   4.386
  107   2HG   GLU  15          1HG       GLU  15 -10.250   3.635   4.554
  108    H    LYS  16           H        LYS  16  -8.830   4.190   2.228
  109    HA   LYS  16           HA       LYS  16  -6.324   2.864   1.713
  110   1HB   LYS  16          2HB       LYS  16  -6.586   4.543  -0.521
  111   2HB   LYS  16          1HB       LYS  16  -6.330   2.810  -0.453
  112   1HG   LYS  16          2HG       LYS  16  -8.209   3.261  -1.879
  113   2HG   LYS  16          1HG       LYS  16  -8.801   2.489  -0.443
  114   1HD   LYS  16          2HD       LYS  16  -9.501   4.681   0.431
  115   2HD   LYS  16          1HD       LYS  16  -8.880   5.442  -1.036
  116   1HE   LYS  16          2HE       LYS  16 -11.184   3.527  -0.764
  117   2HE   LYS  16          1HE       LYS  16 -11.210   5.187  -1.361
  118   1HZ   LYS  16          1HZ       LYS  16  -9.807   4.431  -3.231
  119   2HZ   LYS  16          2HZ       LYS  16 -11.340   3.718  -3.211
  120   3HZ   LYS  16          3HZ       LYS  16  -9.992   2.839  -2.695
  121    H    ARG  17           H        ARG  17  -4.500   4.219   2.025
  122    HA   ARG  17           HA       ARG  17  -4.489   6.977   1.789
  123   1HB   ARG  17          2HB       ARG  17  -4.647   7.746   4.126
  124   2HB   ARG  17          1HB       ARG  17  -6.165   7.098   3.530
  125   1HG   ARG  17          2HG       ARG  17  -5.697   4.978   4.672
  126   2HG   ARG  17          1HG       ARG  17  -4.194   5.663   5.295
  127   1HD   ARG  17          2HD       ARG  17  -5.488   7.409   6.445
  128   2HD   ARG  17          1HD       ARG  17  -6.980   6.682   5.848
  129    HE   ARG  17           HE       ARG  17  -5.523   4.724   7.222
  130   1HH1  ARG  17          1HH1      ARG  17  -7.248   7.682   7.840
  131   2HH1  ARG  17          2HH1      ARG  17  -7.682   7.246   9.460
  132   1HH2  ARG  17          1HH2      ARG  17  -6.085   4.134   9.355
  133   2HH2  ARG  17          2HH2      ARG  17  -7.019   5.226  10.322
  134    H    GLY  18           H        GLY  18  -3.458   4.454   3.878
  135   1HA   GLY  18          2HA       GLY  18  -1.423   3.904   4.803
  136   2HA   GLY  18          1HA       GLY  18  -0.858   4.242   3.180
  137    H    LYS  19           H        LYS  19   1.110   4.891   3.978
  138    HA   LYS  19           HA       LYS  19   1.179   7.417   5.472
  139   1HB   LYS  19          2HB       LYS  19   3.433   5.463   4.996
  140   2HB   LYS  19          1HB       LYS  19   3.446   6.841   6.086
  141   1HG   LYS  19          2HG       LYS  19   1.753   5.788   7.475
  142   2HG   LYS  19          1HG       LYS  19   1.701   4.408   6.375
  143   1HD   LYS  19          2HD       LYS  19   4.061   3.945   6.855
  144   2HD   LYS  19          1HD       LYS  19   4.101   5.318   7.964
  145   1HE   LYS  19          2HE       LYS  19   2.346   2.879   8.245
  146   2HE   LYS  19          1HE       LYS  19   3.831   3.183   9.148
  147   1HZ   LYS  19          1HZ       LYS  19   2.058   5.386   9.361
  148   2HZ   LYS  19          2HZ       LYS  19   2.721   4.427  10.587
  149   3HZ   LYS  19          3HZ       LYS  19   1.278   3.962   9.835
  150    H    GLY  20           H        GLY  20   3.905   8.011   4.687
  151   1HA   GLY  20          2HA       GLY  20   3.332   9.415   2.258
  152   2HA   GLY  20          1HA       GLY  20   4.839   9.456   3.162
  153    H    LYS  21           H        LYS  21   5.048   6.488   3.101
  154    HA   LYS  21           HA       LYS  21   5.534   6.039   0.241
  155   1HB   LYS  21          2HB       LYS  21   7.620   5.702   2.398
  156   2HB   LYS  21          1HB       LYS  21   7.795   5.133   0.743
  157   1HG   LYS  21          2HG       LYS  21   7.556   7.466  -0.043
  158   2HG   LYS  21          1HG       LYS  21   7.508   7.992   1.641
  159   1HD   LYS  21          2HD       LYS  21   9.736   7.086   2.006
  160   2HD   LYS  21          1HD       LYS  21   9.781   6.485   0.347
  161   1HE   LYS  21          2HE       LYS  21   9.586   8.796  -0.471
  162   2HE   LYS  21          1HE       LYS  21   9.599   9.376   1.194
  163   1HZ   LYS  21          1HZ       LYS  21  11.810   7.650   0.572
  164   2HZ   LYS  21          2HZ       LYS  21  11.802   9.171   1.310
  165   3HZ   LYS  21          3HZ       LYS  21  11.781   9.050  -0.376
  166    H    ASP  22           H        ASP  22   3.586   4.973   2.109
  167    HA   ASP  22           HA       ASP  22   3.811   2.213   1.424
  168   1HB   ASP  22          2HB       ASP  22   3.838   2.912   4.377
  169   2HB   ASP  22          1HB       ASP  22   3.686   1.296   3.704
  170    H    VAL  23           H        VAL  23   1.933   2.177   0.548
  171    HA   VAL  23           HA       VAL  23  -0.459   2.692   2.184
  172    HB   VAL  23           HB       VAL  23  -0.504   3.532  -0.648
  173   1HG1  VAL  23          1HG1      VAL  23  -2.088   3.889   1.754
  174   2HG1  VAL  23          2HG1      VAL  23  -2.560   4.023   0.069
  175   3HG1  VAL  23          3HG1      VAL  23  -1.832   5.401   0.884
  176   1HG2  VAL  23          1HG2      VAL  23   1.414   4.764  -0.144
  177   2HG2  VAL  23          2HG2      VAL  23   0.882   5.090   1.506
  178   3HG2  VAL  23          3HG2      VAL  23   0.103   5.907   0.151
  179    H    GLU  24           H        GLU  24  -2.385   2.002   0.948
  180    HA   GLU  24           HA       GLU  24  -2.251   0.255  -1.173
  181   1HB   GLU  24          2HB       GLU  24  -2.712  -1.873  -0.008
  182   2HB   GLU  24          1HB       GLU  24  -1.111  -1.241   0.304
  183   1HG   GLU  24          2HG       GLU  24  -1.946  -0.292   2.438
  184   2HG   GLU  24          1HG       GLU  24  -3.455  -1.141   2.163
  185    H    TYR  25           H        TYR  25  -4.095  -0.486  -1.846
  186    HA   TYR  25           HA       TYR  25  -6.499   0.728  -0.715
  187   1HB   TYR  25          2HB       TYR  25  -5.718   0.537  -3.664
  188   2HB   TYR  25          1HB       TYR  25  -7.070   1.440  -2.970
  189    HD1  TYR  25           1HD      TYR  25  -3.387   1.204  -2.492
  190    HD2  TYR  25           2HD      TYR  25  -6.740   3.734  -2.738
  191    HE1  TYR  25           1HE      TYR  25  -1.942   3.120  -2.467
  192    HE2  TYR  25           2HE      TYR  25  -5.296   5.679  -2.683
  193    HH   TYR  25           HH       TYR  25  -1.968   5.503  -3.162
  194    H    LEU  26           H        LEU  26  -7.595  -0.880   0.079
  195    HA   LEU  26           HA       LEU  26  -9.007  -2.747  -1.390
  196   1HB   LEU  26          2HB       LEU  26  -6.313  -3.431  -1.021
  197   2HB   LEU  26          1HB       LEU  26  -7.272  -4.567  -0.104
  198    HG   LEU  26           HG       LEU  26  -7.701  -4.011  -3.031
  199   1HD1  LEU  26          1HD1      LEU  26  -6.609  -6.579  -2.593
  200   2HD1  LEU  26          2HD1      LEU  26  -5.564  -5.414  -1.781
  201   3HD1  LEU  26          3HD1      LEU  26  -5.915  -5.237  -3.501
  202   1HD2  LEU  26          1HD2      LEU  26  -9.029  -5.985  -3.006
  203   2HD2  LEU  26          2HD2      LEU  26  -9.577  -4.975  -1.667
  204   3HD2  LEU  26          3HD2      LEU  26  -8.539  -6.364  -1.358
  205    H    VAL  27           H        VAL  27 -10.585  -2.026   0.192
  206    HA   VAL  27           HA       VAL  27 -10.361  -3.581   2.637
  207    HB   VAL  27           HB       VAL  27 -10.807  -0.632   2.608
  208   1HG1  VAL  27          1HG1      VAL  27 -12.176  -0.889   4.374
  209   2HG1  VAL  27          2HG1      VAL  27 -10.737  -1.394   5.255
  210   3HG1  VAL  27          3HG1      VAL  27 -11.779  -2.597   4.511
  211   1HG2  VAL  27          1HG2      VAL  27  -8.702  -2.486   3.583
  212   2HG2  VAL  27          2HG2      VAL  27  -8.930  -0.928   4.375
  213   3HG2  VAL  27          3HG2      VAL  27  -8.546  -0.996   2.655
  214    H    ARG  28           H        ARG  28 -11.909  -3.729   0.155
  215    HA   ARG  28           HA       ARG  28 -14.643  -3.491   1.196
  216   1HB   ARG  28          2HB       ARG  28 -14.912  -3.844  -1.500
  217   2HB   ARG  28          1HB       ARG  28 -14.888  -2.312  -0.678
  218   1HG   ARG  28          2HG       ARG  28 -13.425  -2.106  -2.497
  219   2HG   ARG  28          1HG       ARG  28 -12.392  -2.247  -1.113
  220   1HD   ARG  28          2HD       ARG  28 -12.239  -4.697  -1.686
  221   2HD   ARG  28          1HD       ARG  28 -13.010  -4.325  -3.174
  222    HE   ARG  28           HE       ARG  28 -10.576  -2.896  -2.618
  223   1HH1  ARG  28          1HH1      ARG  28 -11.937  -5.781  -3.961
  224   2HH1  ARG  28          2HH1      ARG  28 -10.706  -5.970  -5.159
  225   1HH2  ARG  28          1HH2      ARG  28  -8.943  -3.113  -4.200
  226   2HH2  ARG  28          2HH2      ARG  28  -8.996  -4.458  -5.288
  227    H    TRP  29           H        TRP  29 -13.887  -5.379  -1.596
  228    HA   TRP  29           HA       TRP  29 -15.225  -7.329  -1.834
  229   1HB   TRP  29          2HB       TRP  29 -13.514  -8.683  -2.732
  230   2HB   TRP  29          1HB       TRP  29 -12.987  -7.014  -2.900
  231    HD1  TRP  29           HD       TRP  29 -11.438 -10.128  -2.285
  232    HE1  TRP  29           1HE      TRP  29  -9.339  -9.963  -0.763
  233    HE3  TRP  29           3HE      TRP  29 -12.187  -5.538  -0.353
  234    HZ2  TRP  29           2HZ      TRP  29  -8.168  -8.070   0.997
  235    HZ3  TRP  29           3HZ      TRP  29 -10.615  -4.628   1.198
  236    HH2  TRP  29           HH       TRP  29  -8.655  -5.805   1.904
  237    H    LYS  30           H        LYS  30 -12.827  -7.843   0.656
  238    HA   LYS  30           HA       LYS  30 -14.400 -10.065   1.690
  239   1HB   LYS  30          2HB       LYS  30 -12.118 -10.623   0.976
  240   2HB   LYS  30          1HB       LYS  30 -11.472  -9.422   2.087
  241   1HG   LYS  30          2HG       LYS  30 -11.258 -11.660   2.999
  242   2HG   LYS  30          1HG       LYS  30 -12.356 -10.685   3.979
  243   1HD   LYS  30          2HD       LYS  30 -14.272 -11.736   2.890
  244   2HD   LYS  30          1HD       LYS  30 -13.185 -12.694   1.883
  245   1HE   LYS  30          2HE       LYS  30 -14.031 -14.001   3.763
  246   2HE   LYS  30          1HE       LYS  30 -12.286 -13.781   3.872
  247   1HZ   LYS  30          1HZ       LYS  30 -12.545 -12.865   5.856
  248   2HZ   LYS  30          2HZ       LYS  30 -14.212 -13.137   5.775
  249   3HZ   LYS  30          3HZ       LYS  30 -13.567 -11.674   5.222
  250    H    ASP  31           H        ASP  31 -12.359  -7.424   2.737
  251    HA   ASP  31           HA       ASP  31 -12.514  -7.393   5.381
  252   1HB   ASP  31          2HB       ASP  31 -11.325  -5.678   4.179
  253   2HB   ASP  31          1HB       ASP  31 -12.842  -5.016   3.551
  254    H    GLY  32           H        GLY  32 -13.796  -6.907   6.993
  255   1HA   GLY  32          2HA       GLY  32 -16.312  -5.605   6.818
  256   2HA   GLY  32          1HA       GLY  32 -16.514  -7.354   6.947
  257    H    GLY  33           H        GLY  33 -14.586  -8.162   8.563
  258   1HA   GLY  33          2HA       GLY  33 -15.296  -6.921  11.118
  259   2HA   GLY  33          1HA       GLY  33 -14.583  -8.519  10.901
  260    H    ASP  34           H        ASP  34 -12.501  -7.851   9.175
  261    HA   ASP  34           HA       ASP  34 -10.834  -5.991  10.729
  262   1HB   ASP  34          2HB       ASP  34 -10.430  -8.432  11.336
  263   2HB   ASP  34          1HB       ASP  34  -9.826  -8.642   9.693
  264    H    CYS  35           H        CYS  35  -8.881  -5.298   9.554
  265    HA   CYS  35           HA       CYS  35  -9.497  -4.574   6.861
  266   1HB   CYS  35          2HB       CYS  35  -6.963  -4.204   8.455
  267   2HB   CYS  35          1HB       CYS  35  -7.307  -3.454   6.903
  268    HG   CYS  35           HG       CYS  35  -7.595  -1.814   9.373
  269    H    GLU  36           H        GLU  36  -8.500  -5.196   4.939
  270    HA   GLU  36           HA       GLU  36  -6.566  -7.396   5.078
  271   1HB   GLU  36          2HB       GLU  36  -8.684  -7.641   3.041
  272   2HB   GLU  36          1HB       GLU  36  -7.782  -8.896   3.850
  273   1HG   GLU  36          2HG       GLU  36 -10.015  -7.292   5.076
  274   2HG   GLU  36          1HG       GLU  36 -10.164  -8.919   4.407
  275    H    TRP  37           H        TRP  37  -6.257  -4.555   4.216
  276    HA   TRP  37           HA       TRP  37  -6.273  -4.169   1.442
  277   1HB   TRP  37          2HB       TRP  37  -4.195  -3.360   3.441
  278   2HB   TRP  37          1HB       TRP  37  -4.130  -2.871   1.801
  279    HD1  TRP  37           HD       TRP  37  -5.666  -1.048   1.068
  280    HE1  TRP  37           1HE      TRP  37  -6.890   0.858   2.334
  281    HE3  TRP  37           3HE      TRP  37  -5.355  -2.941   5.730
  282    HZ2  TRP  37           2HZ      TRP  37  -7.557   1.424   5.029
  283    HZ3  TRP  37           3HZ      TRP  37  -6.261  -1.673   7.619
  284    HH2  TRP  37           HH       TRP  37  -7.348   0.479   7.272
  285    H    VAL  38           H        VAL  38  -3.948  -4.009   0.269
  286    HA   VAL  38           HA       VAL  38  -2.388  -6.408   0.800
  287    HB   VAL  38           HB       VAL  38  -3.437  -5.645  -1.927
  288   1HG1  VAL  38          1HG1      VAL  38  -2.162  -7.512  -2.804
  289   2HG1  VAL  38          2HG1      VAL  38  -1.519  -7.855  -1.197
  290   3HG1  VAL  38          3HG1      VAL  38  -1.081  -6.358  -2.021
  291   1HG2  VAL  38          1HG2      VAL  38  -4.755  -7.059  -0.103
  292   2HG2  VAL  38          2HG2      VAL  38  -3.758  -8.351  -0.772
  293   3HG2  VAL  38          3HG2      VAL  38  -4.832  -7.432  -1.826
  294    H    LYS  39           H        LYS  39  -2.389  -4.064  -1.786
  295    HA   LYS  39           HA       LYS  39  -0.180  -2.551  -0.774
  296   1HB   LYS  39          2HB       LYS  39   0.932  -4.585  -1.718
  297   2HB   LYS  39          1HB       LYS  39   0.269  -4.169  -3.288
  298   1HG   LYS  39          2HG       LYS  39   2.545  -3.427  -3.171
  299   2HG   LYS  39          1HG       LYS  39   1.479  -2.020  -3.194
  300   1HD   LYS  39          2HD       LYS  39   1.687  -1.810  -0.770
  301   2HD   LYS  39          1HD       LYS  39   2.732  -3.232  -0.731
  302   1HE   LYS  39          2HE       LYS  39   4.368  -2.065  -2.128
  303   2HE   LYS  39          1HE       LYS  39   3.323  -0.645  -2.166
  304   1HZ   LYS  39          1HZ       LYS  39   3.605  -1.177   0.488
  305   2HZ   LYS  39          2HZ       LYS  39   4.445   0.009  -0.376
  306   3HZ   LYS  39          3HZ       LYS  39   5.144  -1.510  -0.133
  307    H    GLY  40           H        GLY  40   0.058  -0.597  -1.749
  308   1HA   GLY  40          2HA       GLY  40  -2.179   0.164  -3.418
  309   2HA   GLY  40          1HA       GLY  40  -1.013   1.254  -2.689
  310    H    VAL  41           H        VAL  41   1.272  -0.131  -3.633
  311    HA   VAL  41           HA       VAL  41   1.683   1.237  -6.026
  312    HB   VAL  41           HB       VAL  41   3.529   0.452  -4.603
  313   1HG1  VAL  41          1HG1      VAL  41   3.902  -2.160  -5.686
  314   2HG1  VAL  41          2HG1      VAL  41   2.314  -2.069  -4.934
  315   3HG1  VAL  41          3HG1      VAL  41   3.753  -1.669  -4.000
  316   1HG2  VAL  41          1HG2      VAL  41   4.822   0.793  -6.371
  317   2HG2  VAL  41          2HG2      VAL  41   3.428   0.525  -7.416
  318   3HG2  VAL  41          3HG2      VAL  41   4.472  -0.826  -6.977
  319    H    HIS  42           H        HIS  42   0.521  -2.081  -5.586
  320    HA   HIS  42           HA       HIS  42   0.506  -2.347  -8.489
  321   1HB   HIS  42          2HB       HIS  42   0.201  -4.700  -8.247
  322   2HB   HIS  42          1HB       HIS  42   1.510  -4.199  -7.189
  323    HD1  HIS  42           1HD      HIS  42   0.457  -6.783  -6.447
  324    HD2  HIS  42           2HD      HIS  42  -1.388  -3.304  -5.157
  325    HE1  HIS  42           1HE      HIS  42  -0.891  -7.439  -4.435
  326    HE2  HIS  42           2HE      HIS  42  -2.127  -5.347  -3.784
  327    H    VAL  43           H        VAL  43  -1.596  -1.567  -5.962
  328    HA   VAL  43           HA       VAL  43  -3.938  -2.300  -7.578
  329    HB   VAL  43           HB       VAL  43  -3.827  -1.498  -4.645
  330   1HG1  VAL  43          1HG1      VAL  43  -6.026  -1.680  -6.551
  331   2HG1  VAL  43          2HG1      VAL  43  -5.983  -0.977  -4.935
  332   3HG1  VAL  43          3HG1      VAL  43  -6.259  -2.706  -5.137
  333   1HG2  VAL  43          1HG2      VAL  43  -3.421  -3.645  -4.227
  334   2HG2  VAL  43          2HG2      VAL  43  -3.374  -3.988  -5.955
  335   3HG2  VAL  43          3HG2      VAL  43  -4.898  -4.091  -5.077
  336    H    ALA  44           H        ALA  44  -2.236  -0.126  -8.302
  337    HA   ALA  44           HA       ALA  44  -2.273   2.078  -8.867
  338   1HB   ALA  44          1HB       ALA  44  -4.172   2.715  -9.966
  339   2HB   ALA  44          2HB       ALA  44  -5.241   2.156  -8.681
  340   3HB   ALA  44          3HB       ALA  44  -4.519   0.996  -9.796
  341    H    GLU  45           H        GLU  45  -1.398   2.341  -6.682
  342    HA   GLU  45           HA       GLU  45  -2.793   3.011  -4.443
  343   1HB   GLU  45          2HB       GLU  45  -0.582   2.765  -3.966
  344   2HB   GLU  45          1HB       GLU  45  -0.062   3.538  -5.451
  345   1HG   GLU  45          2HG       GLU  45  -0.288   5.693  -4.519
  346   2HG   GLU  45          1HG       GLU  45  -1.181   5.087  -3.132
  347    H    ASP  46           H        ASP  46  -1.406   5.396  -6.700
  348    HA   ASP  46           HA       ASP  46  -2.728   7.557  -5.422
  349   1HB   ASP  46          2HB       ASP  46  -1.872   8.916  -7.302
  350   2HB   ASP  46          1HB       ASP  46  -0.624   7.907  -6.574
  351    H    VAL  47           H        VAL  47  -4.144   5.229  -7.240
  352    HA   VAL  47           HA       VAL  47  -5.899   7.036  -8.724
  353    HB   VAL  47           HB       VAL  47  -5.776   4.014  -8.666
  354   1HG1  VAL  47          1HG1      VAL  47  -7.718   3.984  -9.753
  355   2HG1  VAL  47          2HG1      VAL  47  -7.066   5.061 -10.988
  356   3HG1  VAL  47          3HG1      VAL  47  -7.847   5.733  -9.555
  357   1HG2  VAL  47          1HG2      VAL  47  -4.933   4.411 -11.045
  358   2HG2  VAL  47          2HG2      VAL  47  -3.818   4.766  -9.725
  359   3HG2  VAL  47          3HG2      VAL  47  -4.661   6.080 -10.544
  360    H    ALA  48           H        ALA  48  -6.103   4.482  -6.281
  361    HA   ALA  48           HA       ALA  48  -8.915   4.889  -5.859
  362   1HB   ALA  48          1HB       ALA  48  -8.283   2.705  -5.532
  363   2HB   ALA  48          2HB       ALA  48  -8.380   3.305  -3.876
  364   3HB   ALA  48          3HB       ALA  48  -6.814   3.144  -4.668
  365    H    LYS  49           H        LYS  49  -6.007   6.210  -4.480
  366    HA   LYS  49           HA       LYS  49  -6.826   6.894  -1.936
  367   1HB   LYS  49          2HB       LYS  49  -5.207   8.661  -1.972
  368   2HB   LYS  49          1HB       LYS  49  -4.551   7.300  -2.867
  369   1HG   LYS  49          2HG       LYS  49  -5.170   8.405  -4.972
  370   2HG   LYS  49          1HG       LYS  49  -5.768   9.785  -4.051
  371   1HD   LYS  49          2HD       LYS  49  -2.930   8.772  -3.942
  372   2HD   LYS  49          1HD       LYS  49  -3.474  10.096  -4.972
  373   1HE   LYS  49          2HE       LYS  49  -2.549  11.111  -3.057
  374   2HE   LYS  49          1HE       LYS  49  -4.295  11.214  -2.851
  375   1HZ   LYS  49          1HZ       LYS  49  -3.254   8.817  -1.723
  376   2HZ   LYS  49          2HZ       LYS  49  -4.179  10.032  -0.995
  377   3HZ   LYS  49          3HZ       LYS  49  -2.494  10.179  -1.063
  378    H    ASP  50           H        ASP  50  -7.329   8.734  -4.913
  379    HA   ASP  50           HA       ASP  50  -8.673  10.884  -3.788
  380   1HB   ASP  50          2HB       ASP  50  -7.834  10.965  -6.053
  381   2HB   ASP  50          1HB       ASP  50  -8.936   9.682  -6.522
  382    H    TYR  51           H        TYR  51  -9.787   7.702  -4.555
  383    HA   TYR  51           HA       TYR  51 -12.520   8.122  -4.674
  384   1HB   TYR  51          2HB       TYR  51 -11.409   5.987  -5.175
  385   2HB   TYR  51          1HB       TYR  51 -11.136   5.799  -3.453
  386    HD1  TYR  51           1HD      TYR  51 -13.362   5.102  -6.125
  387    HD2  TYR  51           2HD      TYR  51 -13.254   5.900  -1.938
  388    HE1  TYR  51           1HE      TYR  51 -15.537   3.979  -5.845
  389    HE2  TYR  51           2HE      TYR  51 -15.438   4.806  -1.665
  390    HH   TYR  51           HH       TYR  51 -17.361   3.831  -4.387
  391    H    GLU  52           H        GLU  52 -10.635   7.132  -1.826
  392    HA   GLU  52           HA       GLU  52 -12.862   7.608  -0.054
  393   1HB   GLU  52          2HB       GLU  52 -11.204   5.853   0.428
  394   2HB   GLU  52          1HB       GLU  52  -9.956   7.054   0.597
  395   1HG   GLU  52          2HG       GLU  52 -11.365   8.069   2.429
  396   2HG   GLU  52          1HG       GLU  52 -12.336   6.600   2.349
  397    H    ASP  53           H        ASP  53  -9.569   8.764   0.110
  398    HA   ASP  53           HA       ASP  53  -9.640  10.904   1.693
  399   1HB   ASP  53          2HB       ASP  53  -7.623  10.287   0.554
  400   2HB   ASP  53          1HB       ASP  53  -8.309  10.708  -1.012
  401    H    GLY  54           H        GLY  54 -10.939  10.872  -1.590
  402   1HA   GLY  54          2HA       GLY  54 -11.667  13.664  -1.553
  403   2HA   GLY  54          1HA       GLY  54 -12.114  12.482  -2.779
  404    H    LEU  55           H        LEU  55 -13.477  10.598  -1.464
  405    HA   LEU  55           HA       LEU  55 -15.987  11.848  -0.913
  406   1HB   LEU  55          2HB       LEU  55 -15.081   8.986  -0.615
  407   2HB   LEU  55          1HB       LEU  55 -16.737   9.527  -0.417
  408    HG   LEU  55           HG       LEU  55 -15.125   9.688  -2.965
  409   1HD1  LEU  55          1HD1      LEU  55 -16.194   7.818  -3.708
  410   2HD1  LEU  55          2HD1      LEU  55 -17.602   8.077  -2.680
  411   3HD1  LEU  55          3HD1      LEU  55 -16.111   7.438  -1.989
  412   1HD2  LEU  55          1HD2      LEU  55 -17.828  10.037  -3.513
  413   2HD2  LEU  55          2HD2      LEU  55 -16.568  11.269  -3.565
  414   3HD2  LEU  55          3HD2      LEU  55 -17.523  11.045  -2.099
  415    H    GLU  56           H        GLU  56 -14.322   9.465   1.113
  416    HA   GLU  56           HA       GLU  56 -15.498  10.559   3.490
  417   1HB   GLU  56          2HB       GLU  56 -15.121   8.144   3.241
  418   2HB   GLU  56          1HB       GLU  56 -13.388   8.418   3.167
  419   1HG   GLU  56          2HG       GLU  56 -14.265   7.624   5.371
  420   2HG   GLU  56          1HG       GLU  56 -13.303   9.098   5.431
  421    H    TYR  57           H        TYR  57 -14.294  12.694   2.635
  422    HA   TYR  57           HA       TYR  57 -11.560  13.013   3.205
  423   1HB   TYR  57          2HB       TYR  57 -12.841  14.584   1.807
  424   2HB   TYR  57          1HB       TYR  57 -13.751  15.098   3.224
  425    HD1  TYR  57           1HD      TYR  57 -10.096  14.477   2.825
  426    HD2  TYR  57           2HD      TYR  57 -13.171  17.324   3.567
  427    HE1  TYR  57           1HE      TYR  57  -8.392  16.187   3.288
  428    HE2  TYR  57           2HE      TYR  57 -11.473  19.043   4.031
  429    HH   TYR  57           HH       TYR  57  -9.208  19.538   3.678
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1 -21.415  17.238   6.165
    2   2H    GLY   1          2HT       GLY   1 -20.181  16.232   6.741
    3   3H    GLY   1          3HT       GLY   1 -21.775  15.988   7.249
    4   1HA   GLY   1          1HA       GLY   1 -22.159  14.618   5.575
    5   2HA   GLY   1          2HA       GLY   1 -21.753  15.906   4.452
    6    H    SER   2           H        SER   2 -19.718  14.188   6.810
    7    HA   SER   2           HA       SER   2 -17.492  14.002   5.144
    8   1HB   SER   2          2HB       SER   2 -16.668  12.293   6.726
    9   2HB   SER   2          1HB       SER   2 -17.352  13.684   7.569
   10    HG   SER   2           HG       SER   2 -18.717  12.375   8.464
   11    H    GLN   3           H        GLN   3 -20.050  11.634   5.782
   12    HA   GLN   3           HA       GLN   3 -19.027   9.584   4.128
   13   1HB   GLN   3          2HB       GLN   3 -20.788   9.318   5.903
   14   2HB   GLN   3          1HB       GLN   3 -21.925  10.111   4.821
   15   1HG   GLN   3          2HG       GLN   3 -22.304   7.802   4.601
   16   2HG   GLN   3          1HG       GLN   3 -21.426   8.293   3.152
   17   1HE2  GLN   3          1HE2      GLN   3 -21.688   5.832   5.122
   18   2HE2  GLN   3          2HE2      GLN   3 -20.061   5.256   5.180
   19    H    VAL   4           H        VAL   4 -19.058   9.350   1.931
   20    HA   VAL   4           HA       VAL   4 -20.810  11.200   0.455
   21    HB   VAL   4           HB       VAL   4 -18.128  10.171  -0.482
   22   1HG1  VAL   4          1HG1      VAL   4 -20.088  10.819  -2.116
   23   2HG1  VAL   4          2HG1      VAL   4 -18.426  11.315  -2.440
   24   3HG1  VAL   4          3HG1      VAL   4 -19.565  12.458  -1.730
   25   1HG2  VAL   4          1HG2      VAL   4 -18.947  12.861   0.609
   26   2HG2  VAL   4          2HG2      VAL   4 -17.404  12.522  -0.176
   27   3HG2  VAL   4          3HG2      VAL   4 -17.819  11.718   1.339
   28    H    PHE   5           H        PHE   5 -19.006   8.810  -1.332
   29    HA   PHE   5           HA       PHE   5 -21.166   7.830  -2.686
   30   1HB   PHE   5          2HB       PHE   5 -18.369   6.886  -2.226
   31   2HB   PHE   5          1HB       PHE   5 -19.505   5.818  -3.055
   32    HD1  PHE   5           1HD      PHE   5 -19.032   9.511  -3.225
   33    HD2  PHE   5           2HD      PHE   5 -18.905   5.794  -5.286
   34    HE1  PHE   5           1HE      PHE   5 -18.595  10.702  -5.333
   35    HE2  PHE   5           2HE      PHE   5 -18.465   6.976  -7.399
   36    HZ   PHE   5           HZ       PHE   5 -18.311   9.434  -7.425
   37    H    GLU   6           H        GLU   6 -21.327   5.222  -2.703
   38    HA   GLU   6           HA       GLU   6 -22.684   4.630  -0.241
   39   1HB   GLU   6          2HB       GLU   6 -23.520   2.707  -1.395
   40   2HB   GLU   6          1HB       GLU   6 -23.564   4.081  -2.495
   41   1HG   GLU   6          2HG       GLU   6 -21.440   3.308  -3.475
   42   2HG   GLU   6          1HG       GLU   6 -21.532   1.870  -2.464
   43    H    TYR   7           H        TYR   7 -19.871   3.473  -2.012
   44    HA   TYR   7           HA       TYR   7 -18.025   2.328  -1.362
   45   1HB   TYR   7          2HB       TYR   7 -18.998   3.547   1.113
   46   2HB   TYR   7          1HB       TYR   7 -17.944   2.146   1.340
   47    HD1  TYR   7           1HD      TYR   7 -15.672   2.164   0.203
   48    HD2  TYR   7           2HD      TYR   7 -18.125   5.600   0.514
   49    HE1  TYR   7           1HE      TYR   7 -13.716   3.591  -0.236
   50    HE2  TYR   7           2HE      TYR   7 -16.204   7.053   0.047
   51    HH   TYR   7           HH       TYR   7 -13.014   5.900   0.179
   52    H    ALA   8           H        ALA   8 -19.939   0.711  -2.216
   53    HA   ALA   8           HA       ALA   8 -19.823  -1.562  -0.349
   54   1HB   ALA   8          1HB       ALA   8 -22.131  -0.415  -1.406
   55   2HB   ALA   8          2HB       ALA   8 -22.000  -2.015  -0.673
   56   3HB   ALA   8          3HB       ALA   8 -21.848  -1.830  -2.421
   57    H    GLU   9           H        GLU   9 -17.829  -0.774  -1.990
   58    HA   GLU   9           HA       GLU   9 -17.438  -1.647  -4.472
   59   1HB   GLU   9          2HB       GLU   9 -15.207  -2.504  -2.904
   60   2HB   GLU   9          1HB       GLU   9 -15.346  -1.109  -3.940
   61   1HG   GLU   9          2HG       GLU   9 -16.381  -1.096  -1.158
   62   2HG   GLU   9          1HG       GLU   9 -14.738  -0.830  -1.514
   63    H    VAL  10           H        VAL  10 -16.648  -3.457  -1.602
   64    HA   VAL  10           HA       VAL  10 -16.279  -5.681  -1.184
   65    HB   VAL  10           HB       VAL  10 -18.720  -5.557  -1.381
   66   1HG1  VAL  10          1HG1      VAL  10 -19.576  -6.963  -3.447
   67   2HG1  VAL  10          2HG1      VAL  10 -18.160  -6.239  -4.203
   68   3HG1  VAL  10          3HG1      VAL  10 -19.412  -5.209  -3.512
   69   1HG2  VAL  10          1HG2      VAL  10 -17.361  -7.598  -0.690
   70   2HG2  VAL  10          2HG2      VAL  10 -17.774  -8.255  -2.273
   71   3HG2  VAL  10          3HG2      VAL  10 -19.051  -7.865  -1.120
   72    H    ASP  11           H        ASP  11 -14.716  -4.596  -2.973
   73    HA   ASP  11           HA       ASP  11 -13.188  -6.429  -4.163
   74   1HB   ASP  11          2HB       ASP  11 -14.970  -7.348  -5.492
   75   2HB   ASP  11          1HB       ASP  11 -15.420  -5.754  -6.092
   76    H    GLU  12           H        GLU  12 -14.624  -3.268  -4.441
   77    HA   GLU  12           HA       GLU  12 -12.230  -2.253  -5.863
   78   1HB   GLU  12          2HB       GLU  12 -14.852  -0.839  -5.682
   79   2HB   GLU  12          1HB       GLU  12 -13.553  -0.565  -6.832
   80   1HG   GLU  12          2HG       GLU  12 -14.010  -2.748  -7.853
   81   2HG   GLU  12          1HG       GLU  12 -15.343  -2.981  -6.721
   82    H    ILE  13           H        ILE  13 -11.299  -2.204  -3.695
   83    HA   ILE  13           HA       ILE  13 -10.875  -1.310  -1.581
   84    HB   ILE  13           HB       ILE  13 -10.668   1.278  -3.027
   85   1HG1  ILE  13          2HG1      ILE  13  -8.426   0.500  -3.897
   86   2HG1  ILE  13          1HG1      ILE  13  -8.894  -1.138  -3.461
   87   1HG2  ILE  13          1HG2      ILE  13 -10.082   0.873  -0.605
   88   2HG2  ILE  13          2HG2      ILE  13  -8.910   1.718  -1.608
   89   3HG2  ILE  13          3HG2      ILE  13  -8.675   0.021  -1.223
   90   1HD1  ILE  13          1HD1      ILE  13 -10.858   0.203  -5.131
   91   2HD1  ILE  13          2HD1      ILE  13 -10.093  -1.374  -5.317
   92   3HD1  ILE  13          3HD1      ILE  13  -9.269   0.078  -5.888
   93    H    VAL  14           H        VAL  14 -11.942  -0.734   0.114
   94    HA   VAL  14           HA       VAL  14 -14.060   1.262  -0.070
   95    HB   VAL  14           HB       VAL  14 -13.898  -1.284   1.280
   96   1HG1  VAL  14          1HG1      VAL  14 -13.145  -0.111   3.270
   97   2HG1  VAL  14          2HG1      VAL  14 -14.803  -0.666   3.493
   98   3HG1  VAL  14          3HG1      VAL  14 -14.480   1.030   3.135
   99   1HG2  VAL  14          1HG2      VAL  14 -16.323   0.130   1.846
  100   2HG2  VAL  14          2HG2      VAL  14 -16.050  -1.266   0.806
  101   3HG2  VAL  14          3HG2      VAL  14 -15.848   0.356   0.173
  102    H    GLU  15           H        GLU  15 -10.870   0.551   1.083
  103    HA   GLU  15           HA       GLU  15 -10.812   3.214   2.248
  104   1HB   GLU  15          2HB       GLU  15 -11.652   1.932   4.105
  105   2HB   GLU  15          1HB       GLU  15 -10.333   0.770   3.954
  106   1HG   GLU  15          2HG       GLU  15  -8.733   2.470   4.584
  107   2HG   GLU  15          1HG       GLU  15 -10.000   3.697   4.612
  108    H    LYS  16           H        LYS  16  -8.612   3.850   3.055
  109    HA   LYS  16           HA       LYS  16  -6.348   2.295   2.109
  110   1HB   LYS  16          2HB       LYS  16  -5.550   3.839   0.528
  111   2HB   LYS  16          1HB       LYS  16  -7.237   3.551   0.145
  112   1HG   LYS  16          2HG       LYS  16  -6.372   5.920   1.765
  113   2HG   LYS  16          1HG       LYS  16  -6.404   5.944   0.006
  114   1HD   LYS  16          2HD       LYS  16  -8.778   5.266   1.728
  115   2HD   LYS  16          1HD       LYS  16  -8.448   6.878   1.092
  116   1HE   LYS  16          2HE       LYS  16  -9.763   6.177  -0.603
  117   2HE   LYS  16          1HE       LYS  16  -8.276   5.436  -1.173
  118   1HZ   LYS  16          1HZ       LYS  16  -8.984   3.363  -0.598
  119   2HZ   LYS  16          2HZ       LYS  16 -10.477   4.066  -0.955
  120   3HZ   LYS  16          3HZ       LYS  16  -9.982   3.912   0.651
  121    H    ARG  17           H        ARG  17  -4.241   3.693   2.369
  122    HA   ARG  17           HA       ARG  17  -4.009   5.939   3.876
  123   1HB   ARG  17          2HB       ARG  17  -3.532   5.068   6.183
  124   2HB   ARG  17          1HB       ARG  17  -5.224   5.020   5.725
  125   1HG   ARG  17          2HG       ARG  17  -5.021   2.626   5.244
  126   2HG   ARG  17          1HG       ARG  17  -3.320   2.685   5.711
  127   1HD   ARG  17          2HD       ARG  17  -4.687   1.834   7.538
  128   2HD   ARG  17          1HD       ARG  17  -3.965   3.385   7.968
  129    HE   ARG  17           HE       ARG  17  -6.524   3.816   6.885
  130   1HH1  ARG  17          1HH1      ARG  17  -4.981   2.527   9.728
  131   2HH1  ARG  17          2HH1      ARG  17  -6.315   2.889  10.774
  132   1HH2  ARG  17          1HH2      ARG  17  -8.284   4.291   8.240
  133   2HH2  ARG  17          2HH2      ARG  17  -8.199   3.895   9.924
  134    H    GLY  18           H        GLY  18  -1.936   6.467   3.463
  135   1HA   GLY  18          2HA       GLY  18   0.248   4.859   4.237
  136   2HA   GLY  18          1HA       GLY  18  -0.053   4.633   2.527
  137    H    LYS  19           H        LYS  19   2.254   5.789   3.902
  138    HA   LYS  19           HA       LYS  19   2.231   8.612   3.457
  139   1HB   LYS  19          2HB       LYS  19   4.587   6.746   3.781
  140   2HB   LYS  19          1HB       LYS  19   4.607   8.493   3.980
  141   1HG   LYS  19          2HG       LYS  19   3.130   6.515   5.698
  142   2HG   LYS  19          1HG       LYS  19   4.576   7.425   6.139
  143   1HD   LYS  19          2HD       LYS  19   1.866   8.587   5.495
  144   2HD   LYS  19          1HD       LYS  19   2.575   8.434   7.102
  145   1HE   LYS  19          2HE       LYS  19   4.378   9.936   6.466
  146   2HE   LYS  19          1HE       LYS  19   3.713  10.066   4.838
  147   1HZ   LYS  19          1HZ       LYS  19   3.058  11.573   7.098
  148   2HZ   LYS  19          2HZ       LYS  19   1.690  10.673   6.675
  149   3HZ   LYS  19          3HZ       LYS  19   2.414  11.695   5.538
  150    H    GLY  20           H        GLY  20   4.712   8.991   2.153
  151   1HA   GLY  20          2HA       GLY  20   3.883   8.964  -0.562
  152   2HA   GLY  20          1HA       GLY  20   5.464   9.438   0.036
  153    H    LYS  21           H        LYS  21   5.790   6.740   1.341
  154    HA   LYS  21           HA       LYS  21   6.200   5.143  -1.104
  155   1HB   LYS  21          2HB       LYS  21   8.293   6.293  -0.341
  156   2HB   LYS  21          1HB       LYS  21   8.192   5.374   1.155
  157   1HG   LYS  21          2HG       LYS  21   8.376   3.288  -0.141
  158   2HG   LYS  21          1HG       LYS  21   8.529   4.243  -1.615
  159   1HD   LYS  21          2HD       LYS  21  10.557   5.292  -0.714
  160   2HD   LYS  21          1HD       LYS  21  10.408   4.313   0.747
  161   1HE   LYS  21          2HE       LYS  21  12.038   3.345  -0.784
  162   2HE   LYS  21          1HE       LYS  21  10.648   2.279  -0.593
  163   1HZ   LYS  21          1HZ       LYS  21  10.083   3.938  -2.740
  164   2HZ   LYS  21          2HZ       LYS  21  10.452   2.289  -2.788
  165   3HZ   LYS  21          3HZ       LYS  21  11.683   3.436  -2.953
  166    H    ASP  22           H        ASP  22   4.019   4.724   0.459
  167    HA   ASP  22           HA       ASP  22   3.992   2.043   0.944
  168   1HB   ASP  22          2HB       ASP  22   5.579   2.313   2.758
  169   2HB   ASP  22          1HB       ASP  22   4.600   3.585   3.479
  170    H    VAL  23           H        VAL  23   2.010   1.734   0.525
  171    HA   VAL  23           HA       VAL  23  -0.154   2.778   2.135
  172    HB   VAL  23           HB       VAL  23  -0.504   3.274  -0.761
  173   1HG1  VAL  23          1HG1      VAL  23  -1.486   5.357   0.911
  174   2HG1  VAL  23          2HG1      VAL  23  -1.897   3.802   1.630
  175   3HG1  VAL  23          3HG1      VAL  23  -2.390   4.169  -0.016
  176   1HG2  VAL  23          1HG2      VAL  23   0.405   5.504  -0.731
  177   2HG2  VAL  23          2HG2      VAL  23   1.669   4.358  -0.284
  178   3HG2  VAL  23          3HG2      VAL  23   0.877   5.327   0.960
  179    H    GLU  24           H        GLU  24  -2.288   2.005   1.066
  180    HA   GLU  24           HA       GLU  24  -2.248  -0.029  -0.809
  181   1HB   GLU  24          2HB       GLU  24  -3.042  -1.727   1.230
  182   2HB   GLU  24          1HB       GLU  24  -1.543  -1.786   0.350
  183   1HG   GLU  24          2HG       GLU  24  -0.378  -0.612   2.036
  184   2HG   GLU  24          1HG       GLU  24  -1.876  -0.164   2.839
  185    H    TYR  25           H        TYR  25  -4.118  -0.809  -1.377
  186    HA   TYR  25           HA       TYR  25  -6.519   0.345  -0.152
  187   1HB   TYR  25          2HB       TYR  25  -5.827   0.112  -3.099
  188   2HB   TYR  25          1HB       TYR  25  -7.320   0.758  -2.439
  189    HD1  TYR  25           1HD      TYR  25  -3.676   1.186  -2.102
  190    HD2  TYR  25           2HD      TYR  25  -7.496   2.990  -2.109
  191    HE1  TYR  25           1HE      TYR  25  -2.617   3.318  -1.731
  192    HE2  TYR  25           2HE      TYR  25  -6.437   5.186  -1.764
  193    HH   TYR  25           HH       TYR  25  -3.682   5.721  -0.571
  194    H    LEU  26           H        LEU  26  -8.013  -1.054   0.347
  195    HA   LEU  26           HA       LEU  26  -9.200  -3.029  -1.011
  196   1HB   LEU  26          2HB       LEU  26  -6.547  -3.820  -0.171
  197   2HB   LEU  26          1HB       LEU  26  -7.784  -4.992   0.230
  198    HG   LEU  26           HG       LEU  26  -7.693  -3.997  -2.568
  199   1HD1  LEU  26          1HD1      LEU  26  -5.782  -6.134  -1.696
  200   2HD1  LEU  26          2HD1      LEU  26  -5.299  -4.439  -1.728
  201   3HD1  LEU  26          3HD1      LEU  26  -5.827  -5.234  -3.211
  202   1HD2  LEU  26          1HD2      LEU  26  -9.232  -5.790  -1.448
  203   2HD2  LEU  26          2HD2      LEU  26  -7.830  -6.836  -1.675
  204   3HD2  LEU  26          3HD2      LEU  26  -8.586  -6.064  -3.065
  205    H    VAL  27           H        VAL  27 -10.758  -2.107   0.550
  206    HA   VAL  27           HA       VAL  27 -10.667  -3.640   3.000
  207    HB   VAL  27           HB       VAL  27 -11.123  -0.688   2.979
  208   1HG1  VAL  27          1HG1      VAL  27 -10.957  -1.640   5.622
  209   2HG1  VAL  27          2HG1      VAL  27 -12.111  -2.679   4.788
  210   3HG1  VAL  27          3HG1      VAL  27 -12.360  -0.933   4.823
  211   1HG2  VAL  27          1HG2      VAL  27  -8.773  -1.276   2.914
  212   2HG2  VAL  27          2HG2      VAL  27  -8.996  -2.370   4.279
  213   3HG2  VAL  27          3HG2      VAL  27  -9.182  -0.635   4.506
  214    H    ARG  28           H        ARG  28 -12.072  -3.964   0.645
  215    HA   ARG  28           HA       ARG  28 -14.823  -3.425   1.454
  216   1HB   ARG  28          2HB       ARG  28 -14.956  -3.751  -1.222
  217   2HB   ARG  28          1HB       ARG  28 -14.855  -2.238  -0.371
  218   1HG   ARG  28          2HG       ARG  28 -13.396  -2.366  -2.314
  219   2HG   ARG  28          1HG       ARG  28 -12.486  -2.111  -0.870
  220   1HD   ARG  28          2HD       ARG  28 -11.896  -4.518  -0.852
  221   2HD   ARG  28          1HD       ARG  28 -12.786  -4.701  -2.328
  222    HE   ARG  28           HE       ARG  28 -10.521  -2.903  -2.284
  223   1HH1  ARG  28          1HH1      ARG  28 -11.691  -6.066  -3.070
  224   2HH1  ARG  28          2HH1      ARG  28 -10.536  -6.326  -4.326
  225   1HH2  ARG  28          1HH2      ARG  28  -8.961  -3.243  -3.907
  226   2HH2  ARG  28          2HH2      ARG  28  -8.971  -4.736  -4.785
  227    H    TRP  29           H        TRP  29 -13.111  -5.611  -0.644
  228    HA   TRP  29           HA       TRP  29 -15.025  -7.300  -1.288
  229   1HB   TRP  29          2HB       TRP  29 -13.191  -8.908  -1.805
  230   2HB   TRP  29          1HB       TRP  29 -12.985  -7.294  -2.456
  231    HD1  TRP  29           HD       TRP  29 -10.526  -9.055  -2.458
  232    HE1  TRP  29           1HE      TRP  29  -8.451  -8.604  -1.010
  233    HE3  TRP  29           3HE      TRP  29 -12.603  -6.084   1.175
  234    HZ2  TRP  29           2HZ      TRP  29  -7.754  -7.182   1.331
  235    HZ3  TRP  29           3HZ      TRP  29 -11.208  -5.282   2.965
  236    HH2  TRP  29           HH       TRP  29  -8.836  -5.781   3.047
  237    H    LYS  30           H        LYS  30 -12.641  -8.649   0.832
  238    HA   LYS  30           HA       LYS  30 -14.643 -10.247   2.118
  239   1HB   LYS  30          2HB       LYS  30 -12.625 -11.379   1.452
  240   2HB   LYS  30          1HB       LYS  30 -11.624 -10.228   2.324
  241   1HG   LYS  30          2HG       LYS  30 -11.753 -12.311   3.532
  242   2HG   LYS  30          1HG       LYS  30 -12.576 -11.045   4.442
  243   1HD   LYS  30          2HD       LYS  30 -14.731 -11.844   3.613
  244   2HD   LYS  30          1HD       LYS  30 -13.909 -13.104   2.687
  245   1HE   LYS  30          2HE       LYS  30 -13.031 -14.052   4.766
  246   2HE   LYS  30          1HE       LYS  30 -13.858 -12.797   5.686
  247   1HZ   LYS  30          1HZ       LYS  30 -15.707 -13.993   5.663
  248   2HZ   LYS  30          2HZ       LYS  30 -14.867 -15.256   4.912
  249   3HZ   LYS  30          3HZ       LYS  30 -15.685 -14.111   3.975
  250    H    ASP  31           H        ASP  31 -11.876  -9.209   3.950
  251    HA   ASP  31           HA       ASP  31 -11.859  -8.435   6.102
  252   1HB   ASP  31          2HB       ASP  31 -11.991  -6.023   6.054
  253   2HB   ASP  31          1HB       ASP  31 -11.242  -6.632   4.576
  254    H    GLY  32           H        GLY  32 -13.815  -9.931   6.497
  255   1HA   GLY  32          2HA       GLY  32 -16.230  -8.466   7.190
  256   2HA   GLY  32          1HA       GLY  32 -15.968 -10.198   7.372
  257    H    GLY  33           H        GLY  33 -13.785 -10.436   8.885
  258   1HA   GLY  33          2HA       GLY  33 -14.630  -9.388  11.487
  259   2HA   GLY  33          1HA       GLY  33 -13.453 -10.665  11.208
  260    H    ASP  34           H        ASP  34 -11.684  -9.433   9.470
  261    HA   ASP  34           HA       ASP  34 -10.701  -7.058  10.916
  262   1HB   ASP  34          2HB       ASP  34  -9.380  -9.078  11.590
  263   2HB   ASP  34          1HB       ASP  34  -8.964  -9.335   9.901
  264    H    CYS  35           H        CYS  35  -9.069  -5.836   9.596
  265    HA   CYS  35           HA       CYS  35 -10.042  -5.545   6.878
  266   1HB   CYS  35          2HB       CYS  35  -7.880  -4.019   8.369
  267   2HB   CYS  35          1HB       CYS  35  -8.497  -3.600   6.776
  268    HG   CYS  35           HG       CYS  35  -9.451  -2.351   9.480
  269    H    GLU  36           H        GLU  36  -8.937  -6.156   5.013
  270    HA   GLU  36           HA       GLU  36  -6.352  -7.531   5.428
  271   1HB   GLU  36          2HB       GLU  36  -8.007  -8.285   3.095
  272   2HB   GLU  36          1HB       GLU  36  -6.986  -9.296   4.104
  273   1HG   GLU  36          2HG       GLU  36  -9.728  -8.294   4.878
  274   2HG   GLU  36          1HG       GLU  36  -9.370  -9.901   4.232
  275    H    TRP  37           H        TRP  37  -7.059  -4.693   4.452
  276    HA   TRP  37           HA       TRP  37  -6.612  -4.621   1.694
  277   1HB   TRP  37          2HB       TRP  37  -6.498  -2.316   1.915
  278   2HB   TRP  37          1HB       TRP  37  -7.381  -2.760   3.351
  279    HD1  TRP  37           HD       TRP  37  -4.357  -0.959   2.226
  280    HE1  TRP  37           1HE      TRP  37  -3.080  -0.052   4.286
  281    HE3  TRP  37           3HE      TRP  37  -6.785  -3.500   5.902
  282    HZ2  TRP  37           2HZ      TRP  37  -3.118  -0.406   7.078
  283    HZ3  TRP  37           3HZ      TRP  37  -6.112  -3.190   8.231
  284    HH2  TRP  37           HH       TRP  37  -4.300  -1.661   8.814
  285    H    VAL  38           H        VAL  38  -4.658  -4.906   0.492
  286    HA   VAL  38           HA       VAL  38  -2.222  -4.678   2.055
  287    HB   VAL  38           HB       VAL  38  -1.420  -6.677   0.633
  288   1HG1  VAL  38          1HG1      VAL  38  -3.456  -7.349   2.710
  289   2HG1  VAL  38          2HG1      VAL  38  -1.903  -6.606   3.098
  290   3HG1  VAL  38          3HG1      VAL  38  -1.953  -8.185   2.317
  291   1HG2  VAL  38          1HG2      VAL  38  -3.532  -6.576  -0.780
  292   2HG2  VAL  38          2HG2      VAL  38  -4.343  -7.356   0.578
  293   3HG2  VAL  38          3HG2      VAL  38  -3.008  -8.170  -0.240
  294    H    LYS  39           H        LYS  39  -0.316  -3.952   0.520
  295    HA   LYS  39           HA       LYS  39   0.437  -2.709  -1.281
  296   1HB   LYS  39          2HB       LYS  39  -0.191  -3.773  -3.564
  297   2HB   LYS  39          1HB       LYS  39   0.717  -4.745  -2.425
  298   1HG   LYS  39          2HG       LYS  39  -1.355  -5.904  -1.795
  299   2HG   LYS  39          1HG       LYS  39  -2.234  -4.956  -2.995
  300   1HD   LYS  39          2HD       LYS  39  -0.781  -5.879  -4.765
  301   2HD   LYS  39          1HD       LYS  39   0.077  -6.821  -3.546
  302   1HE   LYS  39          2HE       LYS  39  -2.845  -7.066  -4.232
  303   2HE   LYS  39          1HE       LYS  39  -1.573  -8.184  -4.728
  304   1HZ   LYS  39          1HZ       LYS  39  -1.898  -9.279  -2.826
  305   2HZ   LYS  39          2HZ       LYS  39  -3.036  -8.143  -2.307
  306   3HZ   LYS  39          3HZ       LYS  39  -1.398  -7.917  -1.954
  307    H    GLY  40           H        GLY  40   0.149  -1.053  -2.467
  308   1HA   GLY  40          2HA       GLY  40  -2.606  -0.130  -2.985
  309   2HA   GLY  40          1HA       GLY  40  -1.294   0.941  -2.490
  310    H    VAL  41           H        VAL  41   0.758   0.582  -3.962
  311    HA   VAL  41           HA       VAL  41   0.311   1.666  -6.452
  312    HB   VAL  41           HB       VAL  41   2.553   1.507  -5.490
  313   1HG1  VAL  41          1HG1      VAL  41   3.797  -0.565  -5.461
  314   2HG1  VAL  41          2HG1      VAL  41   2.439  -1.430  -6.181
  315   3HG1  VAL  41          3HG1      VAL  41   2.301  -0.770  -4.552
  316   1HG2  VAL  41          1HG2      VAL  41   3.091  -0.019  -7.910
  317   2HG2  VAL  41          2HG2      VAL  41   3.493   1.649  -7.510
  318   3HG2  VAL  41          3HG2      VAL  41   1.897   1.257  -8.152
  319    H    HIS  42           H        HIS  42   0.386  -1.710  -5.492
  320    HA   HIS  42           HA       HIS  42  -0.058  -2.740  -8.131
  321   1HB   HIS  42          2HB       HIS  42  -0.515  -4.078  -5.454
  322   2HB   HIS  42          1HB       HIS  42  -0.348  -4.885  -7.009
  323    HD1  HIS  42           1HD      HIS  42   2.148  -4.155  -8.179
  324    HD2  HIS  42           2HD      HIS  42   1.769  -4.231  -4.039
  325    HE1  HIS  42           1HE      HIS  42   4.492  -4.347  -7.294
  326    HE2  HIS  42           2HE      HIS  42   4.234  -4.474  -4.790
  327    H    VAL  43           H        VAL  43  -1.969  -2.012  -5.262
  328    HA   VAL  43           HA       VAL  43  -4.435  -2.716  -6.650
  329    HB   VAL  43           HB       VAL  43  -4.098  -1.817  -3.752
  330   1HG1  VAL  43          1HG1      VAL  43  -6.318  -1.474  -4.067
  331   2HG1  VAL  43          2HG1      VAL  43  -6.409  -3.225  -3.903
  332   3HG1  VAL  43          3HG1      VAL  43  -6.394  -2.489  -5.505
  333   1HG2  VAL  43          1HG2      VAL  43  -3.028  -4.045  -4.574
  334   2HG2  VAL  43          2HG2      VAL  43  -4.694  -4.618  -4.659
  335   3HG2  VAL  43          3HG2      VAL  43  -4.033  -4.045  -3.128
  336    H    ALA  44           H        ALA  44  -3.147  -0.512  -7.759
  337    HA   ALA  44           HA       ALA  44  -3.481   1.662  -8.389
  338   1HB   ALA  44          1HB       ALA  44  -6.253   1.697  -7.390
  339   2HB   ALA  44          2HB       ALA  44  -5.847   0.400  -8.514
  340   3HB   ALA  44          3HB       ALA  44  -5.613   2.081  -8.988
  341    H    GLU  45           H        GLU  45  -2.045   1.937  -6.359
  342    HA   GLU  45           HA       GLU  45  -3.084   2.858  -3.974
  343   1HB   GLU  45          2HB       GLU  45  -0.864   2.484  -3.668
  344   2HB   GLU  45          1HB       GLU  45  -0.450   2.983  -5.297
  345   1HG   GLU  45          2HG       GLU  45  -0.346   5.249  -4.682
  346   2HG   GLU  45          1HG       GLU  45  -1.156   4.954  -3.145
  347    H    ASP  46           H        ASP  46  -1.856   4.834  -6.677
  348    HA   ASP  46           HA       ASP  46  -2.993   7.196  -5.469
  349   1HB   ASP  46          2HB       ASP  46  -0.784   7.253  -6.597
  350   2HB   ASP  46          1HB       ASP  46  -1.580   6.901  -8.127
  351    H    VAL  47           H        VAL  47  -4.803   5.036  -6.484
  352    HA   VAL  47           HA       VAL  47  -6.295   6.646  -8.452
  353    HB   VAL  47           HB       VAL  47  -6.368   3.647  -8.057
  354   1HG1  VAL  47          1HG1      VAL  47  -8.151   3.566  -9.404
  355   2HG1  VAL  47          2HG1      VAL  47  -7.445   4.712 -10.544
  356   3HG1  VAL  47          3HG1      VAL  47  -8.309   5.299  -9.124
  357   1HG2  VAL  47          1HG2      VAL  47  -4.822   5.397  -9.902
  358   2HG2  VAL  47          2HG2      VAL  47  -5.433   3.865 -10.524
  359   3HG2  VAL  47          3HG2      VAL  47  -4.361   3.884  -9.124
  360    H    ALA  48           H        ALA  48  -6.543   4.443  -5.687
  361    HA   ALA  48           HA       ALA  48  -9.346   5.133  -5.347
  362   1HB   ALA  48          1HB       ALA  48  -7.508   3.126  -4.172
  363   2HB   ALA  48          2HB       ALA  48  -9.127   2.929  -4.841
  364   3HB   ALA  48          3HB       ALA  48  -8.919   3.619  -3.233
  365    H    LYS  49           H        LYS  49  -6.262   6.091  -4.107
  366    HA   LYS  49           HA       LYS  49  -6.837   7.024  -1.580
  367   1HB   LYS  49          2HB       LYS  49  -4.966   8.453  -1.762
  368   2HB   LYS  49          1HB       LYS  49  -4.610   7.094  -2.810
  369   1HG   LYS  49          2HG       LYS  49  -5.246   8.409  -4.760
  370   2HG   LYS  49          1HG       LYS  49  -5.612   9.780  -3.711
  371   1HD   LYS  49          2HD       LYS  49  -2.917   8.461  -4.012
  372   2HD   LYS  49          1HD       LYS  49  -3.395  10.001  -4.726
  373   1HE   LYS  49          2HE       LYS  49  -3.256   9.384  -1.776
  374   2HE   LYS  49          1HE       LYS  49  -2.070  10.313  -2.691
  375   1HZ   LYS  49          1HZ       LYS  49  -4.045  11.800  -3.277
  376   2HZ   LYS  49          2HZ       LYS  49  -3.409  11.915  -1.713
  377   3HZ   LYS  49          3HZ       LYS  49  -4.838  11.051  -1.984
  378    H    ASP  50           H        ASP  50  -7.274   8.731  -4.636
  379    HA   ASP  50           HA       ASP  50  -8.410  11.028  -3.486
  380   1HB   ASP  50          2HB       ASP  50  -8.373   9.907  -6.260
  381   2HB   ASP  50          1HB       ASP  50  -9.252  11.388  -5.894
  382    H    TYR  51           H        TYR  51  -9.691   7.943  -4.157
  383    HA   TYR  51           HA       TYR  51 -12.381   8.630  -4.540
  384   1HB   TYR  51          2HB       TYR  51 -11.403   6.408  -5.019
  385   2HB   TYR  51          1HB       TYR  51 -11.346   6.157  -3.276
  386    HD1  TYR  51           1HD      TYR  51 -13.780   7.155  -5.918
  387    HD2  TYR  51           2HD      TYR  51 -13.124   5.091  -2.262
  388    HE1  TYR  51           1HE      TYR  51 -16.118   6.352  -5.942
  389    HE2  TYR  51           2HE      TYR  51 -15.442   4.282  -2.286
  390    HH   TYR  51           HH       TYR  51 -17.818   5.567  -4.191
  391    H    GLU  52           H        GLU  52 -10.743   7.459  -1.618
  392    HA   GLU  52           HA       GLU  52 -13.074   8.175  -0.014
  393   1HB   GLU  52          2HB       GLU  52 -11.637   6.026   0.254
  394   2HB   GLU  52          1HB       GLU  52 -10.518   7.073   1.110
  395   1HG   GLU  52          2HG       GLU  52 -12.428   7.742   2.592
  396   2HG   GLU  52          1HG       GLU  52 -13.367   6.457   1.836
  397    H    ASP  53           H        ASP  53  -9.599   8.583   0.261
  398    HA   ASP  53           HA       ASP  53  -9.165  10.279   2.229
  399   1HB   ASP  53          2HB       ASP  53  -7.559   9.450   0.428
  400   2HB   ASP  53          1HB       ASP  53  -7.999  10.899  -0.477
  401    H    GLY  54           H        GLY  54 -10.653  11.270  -0.809
  402   1HA   GLY  54          2HA       GLY  54 -10.896  14.030   0.138
  403   2HA   GLY  54          1HA       GLY  54 -11.319  13.441  -1.467
  404    H    LEU  55           H        LEU  55 -12.994  11.389  -0.968
  405    HA   LEU  55           HA       LEU  55 -15.442  12.682  -0.321
  406   1HB   LEU  55          2HB       LEU  55 -14.699   9.841  -0.894
  407   2HB   LEU  55          1HB       LEU  55 -16.332  10.322  -0.534
  408    HG   LEU  55           HG       LEU  55 -16.458  11.696  -2.494
  409   1HD1  LEU  55          1HD1      LEU  55 -13.531  11.075  -2.839
  410   2HD1  LEU  55          2HD1      LEU  55 -14.265  12.650  -2.553
  411   3HD1  LEU  55          3HD1      LEU  55 -14.543  11.814  -4.079
  412   1HD2  LEU  55          1HD2      LEU  55 -16.513   9.064  -2.584
  413   2HD2  LEU  55          2HD2      LEU  55 -15.084   9.300  -3.592
  414   3HD2  LEU  55          3HD2      LEU  55 -16.620  10.036  -4.053
  415    H    GLU  56           H        GLU  56 -14.797   9.515   1.066
  416    HA   GLU  56           HA       GLU  56 -15.972  10.295   3.550
  417   1HB   GLU  56          2HB       GLU  56 -14.621   7.756   2.641
  418   2HB   GLU  56          1HB       GLU  56 -15.269   7.963   4.263
  419   1HG   GLU  56          2HG       GLU  56 -17.488   8.420   3.262
  420   2HG   GLU  56          1HG       GLU  56 -16.805   8.054   1.679
  421    H    TYR  57           H        TYR  57 -14.067  12.074   3.510
  422    HA   TYR  57           HA       TYR  57 -11.474  11.510   4.231
  423   1HB   TYR  57          2HB       TYR  57 -12.231  13.776   3.755
  424   2HB   TYR  57          1HB       TYR  57 -13.223  13.779   5.209
  425    HD1  TYR  57           1HD      TYR  57  -9.670  12.817   4.532
  426    HD2  TYR  57           2HD      TYR  57 -12.357  15.245   6.767
  427    HE1  TYR  57           1HE      TYR  57  -7.778  13.722   5.813
  428    HE2  TYR  57           2HE      TYR  57 -10.470  16.155   8.054
  429    HH   TYR  57           HH       TYR  57  -7.986  16.460   7.713
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1 -11.777   9.408   8.587
    2   2H    GLY   1          2HT       GLY   1 -12.019   7.740   8.435
    3   3H    GLY   1          3HT       GLY   1 -12.706   8.577   9.734
    4   1HA   GLY   1          1HA       GLY   1 -14.248   9.684   8.373
    5   2HA   GLY   1          2HA       GLY   1 -13.392   9.190   6.923
    6    H    SER   2           H        SER   2 -16.181   8.747   8.291
    7    HA   SER   2           HA       SER   2 -16.387   5.907   8.516
    8   1HB   SER   2          2HB       SER   2 -17.923   7.383   9.720
    9   2HB   SER   2          1HB       SER   2 -18.544   8.008   8.192
   10    HG   SER   2           HG       SER   2 -19.956   6.449   8.673
   11    H    GLN   3           H        GLN   3 -17.987   8.096   6.196
   12    HA   GLN   3           HA       GLN   3 -17.145   6.998   3.829
   13   1HB   GLN   3          2HB       GLN   3 -17.987   4.842   4.423
   14   2HB   GLN   3          1HB       GLN   3 -19.515   5.513   4.971
   15   1HG   GLN   3          2HG       GLN   3 -18.779   5.926   2.130
   16   2HG   GLN   3          1HG       GLN   3 -19.235   4.299   2.631
   17   1HE2  GLN   3          1HE2      GLN   3 -21.284   3.852   2.355
   18   2HE2  GLN   3          2HE2      GLN   3 -22.600   4.969   2.417
   19    H    VAL   4           H        VAL   4 -17.833   8.342   2.248
   20    HA   VAL   4           HA       VAL   4 -19.979  10.194   2.909
   21    HB   VAL   4           HB       VAL   4 -18.046  10.191   0.581
   22   1HG1  VAL   4          1HG1      VAL   4 -18.845  12.443   0.123
   23   2HG1  VAL   4          2HG1      VAL   4 -20.009  12.322   1.441
   24   3HG1  VAL   4          3HG1      VAL   4 -20.176  11.290   0.020
   25   1HG2  VAL   4          1HG2      VAL   4 -18.108  11.599   3.233
   26   2HG2  VAL   4          2HG2      VAL   4 -17.222  12.259   1.857
   27   3HG2  VAL   4          3HG2      VAL   4 -16.799  10.671   2.501
   28    H    PHE   5           H        PHE   5 -19.112   8.749  -0.230
   29    HA   PHE   5           HA       PHE   5 -21.778   8.824  -1.130
   30   1HB   PHE   5          2HB       PHE   5 -19.676   8.970  -2.530
   31   2HB   PHE   5          1HB       PHE   5 -19.498   7.232  -2.318
   32    HD1  PHE   5           1HD      PHE   5 -22.517   9.315  -2.982
   33    HD2  PHE   5           2HD      PHE   5 -19.900   6.258  -4.371
   34    HE1  PHE   5           1HE      PHE   5 -23.989   8.939  -4.921
   35    HE2  PHE   5           2HE      PHE   5 -21.366   5.880  -6.312
   36    HZ   PHE   5           HZ       PHE   5 -23.411   7.220  -6.587
   37    H    GLU   6           H        GLU   6 -20.858   5.853  -2.197
   38    HA   GLU   6           HA       GLU   6 -22.650   4.500  -0.370
   39   1HB   GLU   6          2HB       GLU   6 -21.465   3.884  -3.054
   40   2HB   GLU   6          1HB       GLU   6 -22.343   2.667  -2.133
   41   1HG   GLU   6          2HG       GLU   6 -23.445   5.314  -3.064
   42   2HG   GLU   6          1HG       GLU   6 -23.754   3.749  -3.817
   43    H    TYR   7           H        TYR   7 -19.501   3.986  -1.881
   44    HA   TYR   7           HA       TYR   7 -17.699   2.738  -1.347
   45   1HB   TYR   7          2HB       TYR   7 -18.329   4.385   0.868
   46   2HB   TYR   7          1HB       TYR   7 -17.768   2.840   1.501
   47    HD1  TYR   7           1HD      TYR   7 -15.828   2.161  -0.751
   48    HD2  TYR   7           2HD      TYR   7 -16.482   5.750   1.453
   49    HE1  TYR   7           1HE      TYR   7 -13.477   2.830  -1.143
   50    HE2  TYR   7           2HE      TYR   7 -14.154   6.427   1.047
   51    HH   TYR   7           HH       TYR   7 -11.805   4.308  -0.128
   52    H    ALA   8           H        ALA   8 -19.899   1.151  -1.814
   53    HA   ALA   8           HA       ALA   8 -19.526  -1.043   0.112
   54   1HB   ALA   8          1HB       ALA   8 -21.855   0.210  -0.050
   55   2HB   ALA   8          2HB       ALA   8 -21.768  -1.541   0.141
   56   3HB   ALA   8          3HB       ALA   8 -22.053  -0.842  -1.453
   57    H    GLU   9           H        GLU   9 -17.953  -0.528  -2.132
   58    HA   GLU   9           HA       GLU   9 -18.737  -1.730  -4.461
   59   1HB   GLU   9          2HB       GLU   9 -16.182  -2.019  -4.713
   60   2HB   GLU   9          1HB       GLU   9 -16.899  -0.432  -4.777
   61   1HG   GLU   9          2HG       GLU   9 -15.827  -1.508  -2.196
   62   2HG   GLU   9          1HG       GLU   9 -14.765  -0.894  -3.435
   63    H    VAL  10           H        VAL  10 -17.090  -3.109  -1.653
   64    HA   VAL  10           HA       VAL  10 -16.538  -5.261  -1.142
   65    HB   VAL  10           HB       VAL  10 -19.164  -5.333  -2.513
   66   1HG1  VAL  10          1HG1      VAL  10 -17.540  -7.661  -1.769
   67   2HG1  VAL  10          2HG1      VAL  10 -18.958  -7.575  -2.813
   68   3HG1  VAL  10          3HG1      VAL  10 -19.156  -7.678  -1.064
   69   1HG2  VAL  10          1HG2      VAL  10 -18.629  -4.324  -0.184
   70   2HG2  VAL  10          2HG2      VAL  10 -18.714  -6.003   0.349
   71   3HG2  VAL  10          3HG2      VAL  10 -20.108  -5.254  -0.430
   72    H    ASP  11           H        ASP  11 -15.166  -4.300  -3.208
   73    HA   ASP  11           HA       ASP  11 -13.838  -6.290  -4.409
   74   1HB   ASP  11          2HB       ASP  11 -16.402  -5.894  -5.811
   75   2HB   ASP  11          1HB       ASP  11 -14.988  -5.969  -6.859
   76    H    GLU  12           H        GLU  12 -14.686  -2.979  -4.385
   77    HA   GLU  12           HA       GLU  12 -12.498  -2.272  -6.281
   78   1HB   GLU  12          2HB       GLU  12 -14.856  -0.554  -5.635
   79   2HB   GLU  12          1HB       GLU  12 -13.764  -0.404  -7.010
   80   1HG   GLU  12          2HG       GLU  12 -15.756  -2.632  -6.619
   81   2HG   GLU  12          1HG       GLU  12 -16.015  -1.207  -7.618
   82    H    ILE  13           H        ILE  13 -11.477  -2.460  -3.835
   83    HA   ILE  13           HA       ILE  13 -10.921  -1.566  -1.837
   84    HB   ILE  13           HB       ILE  13 -10.393   0.940  -3.411
   85   1HG1  ILE  13          2HG1      ILE  13  -8.127  -0.106  -3.822
   86   2HG1  ILE  13          1HG1      ILE  13  -8.782  -1.623  -3.230
   87   1HG2  ILE  13          1HG2      ILE  13  -9.508  -0.212  -0.836
   88   2HG2  ILE  13          2HG2      ILE  13  -9.961   1.438  -1.249
   89   3HG2  ILE  13          3HG2      ILE  13  -8.405   0.809  -1.740
   90   1HD1  ILE  13          1HD1      ILE  13  -9.617  -2.094  -5.220
   91   2HD1  ILE  13          2HD1      ILE  13  -8.792  -0.665  -5.845
   92   3HD1  ILE  13          3HD1      ILE  13 -10.463  -0.547  -5.290
   93    H    VAL  14           H        VAL  14 -12.081  -0.912  -0.107
   94    HA   VAL  14           HA       VAL  14 -14.006   1.183  -0.460
   95    HB   VAL  14           HB       VAL  14 -14.107  -1.240   0.993
   96   1HG1  VAL  14          1HG1      VAL  14 -14.737   1.097   2.807
   97   2HG1  VAL  14          2HG1      VAL  14 -13.234   0.183   2.919
   98   3HG1  VAL  14          3HG1      VAL  14 -14.777  -0.622   3.202
   99   1HG2  VAL  14          1HG2      VAL  14 -15.885  -0.287  -0.370
  100   2HG2  VAL  14          2HG2      VAL  14 -16.093   1.017   0.795
  101   3HG2  VAL  14          3HG2      VAL  14 -16.456  -0.647   1.255
  102    H    GLU  15           H        GLU  15 -10.801   0.772   0.581
  103    HA   GLU  15           HA       GLU  15 -10.877   3.426   1.740
  104   1HB   GLU  15          2HB       GLU  15 -10.947   1.121   3.490
  105   2HB   GLU  15          1HB       GLU  15  -9.519   2.125   3.786
  106   1HG   GLU  15          2HG       GLU  15 -10.944   4.117   3.969
  107   2HG   GLU  15          1HG       GLU  15 -12.368   3.102   3.736
  108    H    LYS  16           H        LYS  16  -8.509   3.627   3.069
  109    HA   LYS  16           HA       LYS  16  -6.237   2.481   1.844
  110   1HB   LYS  16          2HB       LYS  16  -5.628   4.284   0.316
  111   2HB   LYS  16          1HB       LYS  16  -7.127   3.504  -0.144
  112   1HG   LYS  16          2HG       LYS  16  -7.465   5.825  -0.465
  113   2HG   LYS  16          1HG       LYS  16  -8.361   5.378   0.983
  114   1HD   LYS  16          2HD       LYS  16  -6.852   6.433   2.389
  115   2HD   LYS  16          1HD       LYS  16  -5.565   6.434   1.183
  116   1HE   LYS  16          2HE       LYS  16  -6.945   8.041  -0.129
  117   2HE   LYS  16          1HE       LYS  16  -8.050   8.124   1.235
  118   1HZ   LYS  16          1HZ       LYS  16  -5.425   8.532   2.143
  119   2HZ   LYS  16          2HZ       LYS  16  -6.737   9.598   2.195
  120   3HZ   LYS  16          3HZ       LYS  16  -5.720   9.575   0.845
  121    H    ARG  17           H        ARG  17  -4.453   4.676   1.757
  122    HA   ARG  17           HA       ARG  17  -3.475   6.364   2.899
  123   1HB   ARG  17          2HB       ARG  17  -5.726   7.082   3.720
  124   2HB   ARG  17          1HB       ARG  17  -5.501   6.032   5.112
  125   1HG   ARG  17          2HG       ARG  17  -4.762   8.000   5.970
  126   2HG   ARG  17          1HG       ARG  17  -3.259   7.343   5.317
  127   1HD   ARG  17          2HD       ARG  17  -3.509   8.686   3.310
  128   2HD   ARG  17          1HD       ARG  17  -5.056   9.298   3.893
  129    HE   ARG  17           HE       ARG  17  -3.098   9.872   5.805
  130   1HH1  ARG  17          1HH1      ARG  17  -4.000  10.771   2.565
  131   2HH1  ARG  17          2HH1      ARG  17  -3.324  12.362   2.680
  132   1HH2  ARG  17          1HH2      ARG  17  -2.203  11.943   5.974
  133   2HH2  ARG  17          2HH2      ARG  17  -2.289  13.030   4.628
  134    H    GLY  18           H        GLY  18  -2.289   3.983   2.946
  135   1HA   GLY  18          2HA       GLY  18  -1.983   2.757   5.480
  136   2HA   GLY  18          1HA       GLY  18  -0.842   2.637   4.148
  137    H    LYS  19           H        LYS  19   0.878   2.728   5.698
  138    HA   LYS  19           HA       LYS  19   1.245   4.957   7.425
  139   1HB   LYS  19          2HB       LYS  19   3.274   2.963   6.391
  140   2HB   LYS  19          1HB       LYS  19   3.511   4.041   7.753
  141   1HG   LYS  19          2HG       LYS  19   1.496   1.809   7.599
  142   2HG   LYS  19          1HG       LYS  19   2.999   1.815   8.528
  143   1HD   LYS  19          2HD       LYS  19   2.195   3.714   9.823
  144   2HD   LYS  19          1HD       LYS  19   0.687   3.708   8.908
  145   1HE   LYS  19          2HE       LYS  19   0.201   1.457   9.738
  146   2HE   LYS  19          1HE       LYS  19   1.715   1.465  10.638
  147   1HZ   LYS  19          1HZ       LYS  19  -0.171   3.645  11.145
  148   2HZ   LYS  19          2HZ       LYS  19   0.887   2.856  12.205
  149   3HZ   LYS  19          3HZ       LYS  19  -0.559   2.111  11.748
  150    H    GLY  20           H        GLY  20   4.050   5.530   6.772
  151   1HA   GLY  20          2HA       GLY  20   3.657   7.759   5.106
  152   2HA   GLY  20          1HA       GLY  20   5.210   7.138   5.636
  153    H    LYS  21           H        LYS  21   4.539   4.483   4.318
  154    HA   LYS  21           HA       LYS  21   4.779   5.313   1.508
  155   1HB   LYS  21          2HB       LYS  21   7.047   5.027   2.282
  156   2HB   LYS  21          1HB       LYS  21   6.654   3.462   2.981
  157   1HG   LYS  21          2HG       LYS  21   6.202   2.589   0.732
  158   2HG   LYS  21          1HG       LYS  21   6.662   4.152   0.050
  159   1HD   LYS  21          2HD       LYS  21   8.902   3.915   0.961
  160   2HD   LYS  21          1HD       LYS  21   8.453   2.384   1.718
  161   1HE   LYS  21          2HE       LYS  21   8.014   1.433  -0.503
  162   2HE   LYS  21          1HE       LYS  21   8.491   2.959  -1.247
  163   1HZ   LYS  21          1HZ       LYS  21  10.217   1.136   0.336
  164   2HZ   LYS  21          2HZ       LYS  21  10.697   2.663  -0.209
  165   3HZ   LYS  21          3HZ       LYS  21  10.322   1.447  -1.323
  166    H    ASP  22           H        ASP  22   4.357   2.613   3.745
  167    HA   ASP  22           HA       ASP  22   3.359   0.846   1.757
  168   1HB   ASP  22          2HB       ASP  22   2.588  -0.492   3.844
  169   2HB   ASP  22          1HB       ASP  22   4.312  -0.296   3.545
  170    H    VAL  23           H        VAL  23   1.968   2.646   1.028
  171    HA   VAL  23           HA       VAL  23  -0.659   2.901   2.268
  172    HB   VAL  23           HB       VAL  23  -0.060   3.635  -0.542
  173   1HG1  VAL  23          1HG1      VAL  23  -1.861   4.933  -0.405
  174   2HG1  VAL  23          2HG1      VAL  23  -1.469   5.507   1.217
  175   3HG1  VAL  23          3HG1      VAL  23  -2.241   3.939   0.996
  176   1HG2  VAL  23          1HG2      VAL  23   1.021   5.076   1.861
  177   2HG2  VAL  23          2HG2      VAL  23   0.740   5.898   0.323
  178   3HG2  VAL  23          3HG2      VAL  23   1.869   4.546   0.408
  179    H    GLU  24           H        GLU  24  -2.541   2.081   1.260
  180    HA   GLU  24           HA       GLU  24  -2.332   0.396  -1.000
  181   1HB   GLU  24          2HB       GLU  24  -3.374  -1.436   0.904
  182   2HB   GLU  24          1HB       GLU  24  -1.919  -1.551  -0.034
  183   1HG   GLU  24          2HG       GLU  24  -0.586  -0.665   1.629
  184   2HG   GLU  24          1HG       GLU  24  -1.949  -0.042   2.537
  185    H    TYR  25           H        TYR  25  -4.181  -0.433  -1.748
  186    HA   TYR  25           HA       TYR  25  -6.638   0.772  -0.725
  187   1HB   TYR  25          2HB       TYR  25  -5.689   0.698  -3.607
  188   2HB   TYR  25          1HB       TYR  25  -7.232   1.350  -3.051
  189    HD1  TYR  25           1HD      TYR  25  -3.616   1.649  -2.394
  190    HD2  TYR  25           2HD      TYR  25  -7.375   3.527  -2.514
  191    HE1  TYR  25           1HE      TYR  25  -2.543   3.729  -1.800
  192    HE2  TYR  25           2HE      TYR  25  -6.333   5.637  -1.951
  193    HH   TYR  25           HH       TYR  25  -3.531   6.029  -0.570
  194    H    LEU  26           H        LEU  26  -7.706  -0.867   0.002
  195    HA   LEU  26           HA       LEU  26  -9.050  -2.668  -1.609
  196   1HB   LEU  26          2HB       LEU  26  -6.460  -3.531  -0.540
  197   2HB   LEU  26          1HB       LEU  26  -7.731  -4.715  -0.490
  198    HG   LEU  26           HG       LEU  26  -6.091  -3.733  -2.741
  199   1HD1  LEU  26          1HD1      LEU  26  -6.966  -6.211  -1.575
  200   2HD1  LEU  26          2HD1      LEU  26  -5.569  -5.856  -2.592
  201   3HD1  LEU  26          3HD1      LEU  26  -7.131  -6.207  -3.330
  202   1HD2  LEU  26          1HD2      LEU  26  -8.165  -4.781  -4.167
  203   2HD2  LEU  26          2HD2      LEU  26  -7.793  -3.066  -4.036
  204   3HD2  LEU  26          3HD2      LEU  26  -9.008  -3.782  -2.994
  205    H    VAL  27           H        VAL  27 -10.601  -1.623   0.061
  206    HA   VAL  27           HA       VAL  27 -10.440  -3.292   2.487
  207    HB   VAL  27           HB       VAL  27 -11.214  -0.409   2.500
  208   1HG1  VAL  27          1HG1      VAL  27 -12.207  -0.962   4.425
  209   2HG1  VAL  27          2HG1      VAL  27 -10.580  -1.158   5.074
  210   3HG1  VAL  27          3HG1      VAL  27 -11.453  -2.557   4.445
  211   1HG2  VAL  27          1HG2      VAL  27  -8.785  -1.405   3.879
  212   2HG2  VAL  27          2HG2      VAL  27  -9.117   0.179   3.190
  213   3HG2  VAL  27          3HG2      VAL  27  -8.716  -1.168   2.135
  214    H    ARG  28           H        ARG  28 -12.092  -3.710   0.192
  215    HA   ARG  28           HA       ARG  28 -14.775  -3.225   1.297
  216   1HB   ARG  28          2HB       ARG  28 -15.230  -3.495  -1.354
  217   2HB   ARG  28          1HB       ARG  28 -15.007  -1.967  -0.531
  218   1HG   ARG  28          2HG       ARG  28 -13.628  -1.846  -2.398
  219   2HG   ARG  28          1HG       ARG  28 -12.554  -2.227  -1.105
  220   1HD   ARG  28          2HD       ARG  28 -13.515  -4.592  -2.332
  221   2HD   ARG  28          1HD       ARG  28 -12.774  -3.564  -3.477
  222    HE   ARG  28           HE       ARG  28 -11.092  -3.775  -1.270
  223   1HH1  ARG  28          1HH1      ARG  28 -12.169  -5.554  -4.050
  224   2HH1  ARG  28          2HH1      ARG  28 -10.826  -6.634  -4.045
  225   1HH2  ARG  28          1HH2      ARG  28  -9.343  -5.223  -1.249
  226   2HH2  ARG  28          2HH2      ARG  28  -9.219  -6.439  -2.470
  227    H    TRP  29           H        TRP  29 -13.012  -5.375  -0.805
  228    HA   TRP  29           HA       TRP  29 -14.946  -7.110  -1.423
  229   1HB   TRP  29          2HB       TRP  29 -13.135  -8.846  -1.686
  230   2HB   TRP  29          1HB       TRP  29 -12.917  -7.345  -2.560
  231    HD1  TRP  29           HD       TRP  29 -10.445  -8.941  -2.422
  232    HE1  TRP  29           1HE      TRP  29  -8.401  -8.358  -0.991
  233    HE3  TRP  29           3HE      TRP  29 -12.656  -5.853   1.080
  234    HZ2  TRP  29           2HZ      TRP  29  -7.759  -6.805   1.281
  235    HZ3  TRP  29           3HZ      TRP  29 -11.278  -4.899   2.824
  236    HH2  TRP  29           HH       TRP  29  -8.904  -5.376   2.931
  237    H    LYS  30           H        LYS  30 -12.653  -8.442   0.761
  238    HA   LYS  30           HA       LYS  30 -14.700  -9.857   2.143
  239   1HB   LYS  30          2HB       LYS  30 -11.698  -9.839   2.535
  240   2HB   LYS  30          1HB       LYS  30 -12.807 -10.849   3.451
  241   1HG   LYS  30          2HG       LYS  30 -12.450 -10.943   0.462
  242   2HG   LYS  30          1HG       LYS  30 -11.721 -12.059   1.621
  243   1HD   LYS  30          2HD       LYS  30 -13.957 -12.746   2.357
  244   2HD   LYS  30          1HD       LYS  30 -14.678 -11.628   1.197
  245   1HE   LYS  30          2HE       LYS  30 -14.698 -13.860   0.283
  246   2HE   LYS  30          1HE       LYS  30 -13.576 -12.853  -0.627
  247   1HZ   LYS  30          1HZ       LYS  30 -12.473 -14.869  -0.282
  248   2HZ   LYS  30          2HZ       LYS  30 -12.942 -14.968   1.339
  249   3HZ   LYS  30          3HZ       LYS  30 -11.795 -13.823   0.859
  250    H    ASP  31           H        ASP  31 -12.046  -8.732   4.073
  251    HA   ASP  31           HA       ASP  31 -12.087  -7.688   6.085
  252   1HB   ASP  31          2HB       ASP  31 -12.517  -5.325   5.871
  253   2HB   ASP  31          1HB       ASP  31 -11.701  -5.925   4.424
  254    H    GLY  32           H        GLY  32 -14.133  -5.625   6.826
  255   1HA   GLY  32          2HA       GLY  32 -16.272  -5.541   7.696
  256   2HA   GLY  32          1HA       GLY  32 -16.598  -7.178   7.127
  257    H    GLY  33           H        GLY  33 -14.645  -8.652   8.244
  258   1HA   GLY  33          2HA       GLY  33 -15.324  -8.550  11.065
  259   2HA   GLY  33          1HA       GLY  33 -14.455  -9.846  10.238
  260    H    ASP  34           H        ASP  34 -12.534  -8.472   8.949
  261    HA   ASP  34           HA       ASP  34 -10.992  -7.077  11.018
  262   1HB   ASP  34          2HB       ASP  34  -9.915  -9.307   9.261
  263   2HB   ASP  34          1HB       ASP  34  -8.975  -8.336  10.389
  264    H    CYS  35           H        CYS  35  -8.631  -6.916   9.236
  265    HA   CYS  35           HA       CYS  35  -9.723  -5.279   7.035
  266   1HB   CYS  35          2HB       CYS  35  -8.498  -4.215   9.223
  267   2HB   CYS  35          1HB       CYS  35  -7.120  -4.478   8.161
  268    HG   CYS  35           HG       CYS  35  -9.475  -2.135   8.021
  269    H    GLU  36           H        GLU  36  -8.652  -5.577   5.041
  270    HA   GLU  36           HA       GLU  36  -6.306  -7.341   5.082
  271   1HB   GLU  36          2HB       GLU  36  -8.018  -8.056   2.912
  272   2HB   GLU  36          1HB       GLU  36  -7.328  -9.062   4.165
  273   1HG   GLU  36          2HG       GLU  36  -9.858  -7.451   4.522
  274   2HG   GLU  36          1HG       GLU  36  -9.811  -9.122   3.944
  275    H    TRP  37           H        TRP  37  -7.205  -4.504   4.096
  276    HA   TRP  37           HA       TRP  37  -6.617  -4.413   1.313
  277   1HB   TRP  37          2HB       TRP  37  -6.686  -2.153   1.538
  278   2HB   TRP  37          1HB       TRP  37  -7.530  -2.576   3.007
  279    HD1  TRP  37           HD       TRP  37  -4.694  -0.572   1.758
  280    HE1  TRP  37           1HE      TRP  37  -3.345   0.408   3.736
  281    HE3  TRP  37           3HE      TRP  37  -6.685  -3.339   5.538
  282    HZ2  TRP  37           2HZ      TRP  37  -3.177   0.003   6.528
  283    HZ3  TRP  37           3HZ      TRP  37  -5.920  -2.969   7.829
  284    HH2  TRP  37           HH       TRP  37  -4.203  -1.334   8.304
  285    H    VAL  38           H        VAL  38  -4.756  -4.473   0.272
  286    HA   VAL  38           HA       VAL  38  -2.192  -4.208   1.566
  287    HB   VAL  38           HB       VAL  38  -1.394  -6.281   0.339
  288   1HG1  VAL  38          1HG1      VAL  38  -2.031  -6.205   2.885
  289   2HG1  VAL  38          2HG1      VAL  38  -1.984  -7.814   2.151
  290   3HG1  VAL  38          3HG1      VAL  38  -3.523  -6.986   2.374
  291   1HG2  VAL  38          1HG2      VAL  38  -3.913  -6.108  -0.751
  292   2HG2  VAL  38          2HG2      VAL  38  -3.986  -7.504   0.316
  293   3HG2  VAL  38          3HG2      VAL  38  -2.782  -7.448  -0.977
  294    H    LYS  39           H        LYS  39  -0.407  -3.634   0.202
  295    HA   LYS  39           HA       LYS  39   0.501  -2.392  -1.478
  296   1HB   LYS  39          2HB       LYS  39  -0.185  -3.372  -3.781
  297   2HB   LYS  39          1HB       LYS  39   0.855  -4.281  -2.697
  298   1HG   LYS  39          2HG       LYS  39  -1.196  -5.650  -1.989
  299   2HG   LYS  39          1HG       LYS  39  -2.131  -4.737  -3.169
  300   1HD   LYS  39          2HD       LYS  39  -0.785  -5.575  -4.960
  301   2HD   LYS  39          1HD       LYS  39   0.232  -6.452  -3.817
  302   1HE   LYS  39          2HE       LYS  39  -1.700  -7.761  -3.106
  303   2HE   LYS  39          1HE       LYS  39  -2.720  -6.896  -4.252
  304   1HZ   LYS  39          1HZ       LYS  39  -2.222  -8.712  -5.480
  305   2HZ   LYS  39          2HZ       LYS  39  -0.743  -8.989  -4.712
  306   3HZ   LYS  39          3HZ       LYS  39  -0.864  -7.792  -5.902
  307    H    GLY  40           H        GLY  40   0.201  -0.547  -2.452
  308   1HA   GLY  40          2HA       GLY  40  -2.539   0.300  -3.195
  309   2HA   GLY  40          1HA       GLY  40  -1.306   1.351  -2.495
  310    H    VAL  41           H        VAL  41   0.892   1.194  -3.757
  311    HA   VAL  41           HA       VAL  41   0.633   2.470  -6.183
  312    HB   VAL  41           HB       VAL  41   2.877   0.615  -5.397
  313   1HG1  VAL  41          1HG1      VAL  41   2.422   1.852  -7.846
  314   2HG1  VAL  41          2HG1      VAL  41   3.915   1.109  -7.275
  315   3HG1  VAL  41          3HG1      VAL  41   3.646   2.837  -7.040
  316   1HG2  VAL  41          1HG2      VAL  41   2.254   2.571  -3.859
  317   2HG2  VAL  41          2HG2      VAL  41   2.906   3.600  -5.133
  318   3HG2  VAL  41          3HG2      VAL  41   3.936   2.399  -4.353
  319    H    HIS  42           H        HIS  42   0.787  -0.952  -5.500
  320    HA   HIS  42           HA       HIS  42   0.653  -1.756  -8.255
  321   1HB   HIS  42          2HB       HIS  42   0.046  -3.444  -5.816
  322   2HB   HIS  42          1HB       HIS  42   0.505  -4.004  -7.420
  323    HD1  HIS  42           1HD      HIS  42   3.047  -2.845  -8.110
  324    HD2  HIS  42           2HD      HIS  42   2.129  -3.635  -4.132
  325    HE1  HIS  42           1HE      HIS  42   5.258  -2.948  -6.915
  326    HE2  HIS  42           2HE      HIS  42   4.681  -3.521  -4.533
  327    H    VAL  43           H        VAL  43  -1.519  -1.381  -5.515
  328    HA   VAL  43           HA       VAL  43  -3.809  -2.174  -7.121
  329    HB   VAL  43           HB       VAL  43  -3.831  -1.291  -4.200
  330   1HG1  VAL  43          1HG1      VAL  43  -6.022  -1.197  -4.826
  331   2HG1  VAL  43          2HG1      VAL  43  -5.921  -2.930  -4.515
  332   3HG1  VAL  43          3HG1      VAL  43  -5.817  -2.323  -6.166
  333   1HG2  VAL  43          1HG2      VAL  43  -3.720  -3.585  -3.594
  334   2HG2  VAL  43          2HG2      VAL  43  -2.379  -3.304  -4.704
  335   3HG2  VAL  43          3HG2      VAL  43  -3.837  -4.118  -5.270
  336    H    ALA  44           H        ALA  44  -2.577   0.150  -8.052
  337    HA   ALA  44           HA       ALA  44  -3.022   2.309  -8.645
  338   1HB   ALA  44          1HB       ALA  44  -5.851   2.218  -7.864
  339   2HB   ALA  44          2HB       ALA  44  -5.333   0.906  -8.923
  340   3HB   ALA  44          3HB       ALA  44  -5.114   2.582  -9.424
  341    H    GLU  45           H        GLU  45  -1.747   2.639  -6.540
  342    HA   GLU  45           HA       GLU  45  -2.924   3.346  -4.154
  343   1HB   GLU  45          2HB       GLU  45  -0.645   3.148  -3.950
  344   2HB   GLU  45          1HB       GLU  45  -0.326   3.977  -5.462
  345   1HG   GLU  45          2HG       GLU  45  -0.563   6.095  -4.463
  346   2HG   GLU  45          1HG       GLU  45  -1.299   5.423  -3.012
  347    H    ASP  46           H        ASP  46  -1.584   5.696  -6.438
  348    HA   ASP  46           HA       ASP  46  -2.953   7.869  -5.278
  349   1HB   ASP  46          2HB       ASP  46  -2.096   9.165  -7.204
  350   2HB   ASP  46          1HB       ASP  46  -0.848   8.196  -6.425
  351    H    VAL  47           H        VAL  47  -4.225   5.465  -7.204
  352    HA   VAL  47           HA       VAL  47  -5.991   7.201  -8.726
  353    HB   VAL  47           HB       VAL  47  -5.920   4.183  -8.519
  354   1HG1  VAL  47          1HG1      VAL  47  -8.121   4.989  -9.174
  355   2HG1  VAL  47          2HG1      VAL  47  -7.316   4.218 -10.541
  356   3HG1  VAL  47          3HG1      VAL  47  -7.401   5.977 -10.443
  357   1HG2  VAL  47          1HG2      VAL  47  -4.894   4.310 -10.776
  358   2HG2  VAL  47          2HG2      VAL  47  -3.887   5.011  -9.509
  359   3HG2  VAL  47          3HG2      VAL  47  -4.797   6.061 -10.595
  360    H    ALA  48           H        ALA  48  -6.238   4.844  -6.084
  361    HA   ALA  48           HA       ALA  48  -9.053   5.460  -5.800
  362   1HB   ALA  48          1HB       ALA  48  -8.762   3.827  -3.796
  363   2HB   ALA  48          2HB       ALA  48  -7.233   3.441  -4.591
  364   3HB   ALA  48          3HB       ALA  48  -8.756   3.222  -5.451
  365    H    LYS  49           H        LYS  49  -6.086   6.595  -4.464
  366    HA   LYS  49           HA       LYS  49  -6.885   7.344  -1.902
  367   1HB   LYS  49          2HB       LYS  49  -5.136   8.973  -1.909
  368   2HB   LYS  49          1HB       LYS  49  -4.567   7.574  -2.802
  369   1HG   LYS  49          2HG       LYS  49  -4.966   8.714  -4.902
  370   2HG   LYS  49          1HG       LYS  49  -5.619  10.107  -4.036
  371   1HD   LYS  49          2HD       LYS  49  -3.470  10.465  -2.951
  372   2HD   LYS  49          1HD       LYS  49  -2.806   9.049  -3.764
  373   1HE   LYS  49          2HE       LYS  49  -2.106  11.052  -4.918
  374   2HE   LYS  49          1HE       LYS  49  -3.219  10.140  -5.936
  375   1HZ   LYS  49          1HZ       LYS  49  -5.006  11.649  -5.076
  376   2HZ   LYS  49          2HZ       LYS  49  -3.856  12.396  -6.067
  377   3HZ   LYS  49          3HZ       LYS  49  -3.791  12.605  -4.389
  378    H    ASP  50           H        ASP  50  -7.221   9.122  -4.926
  379    HA   ASP  50           HA       ASP  50  -8.464  11.352  -3.856
  380   1HB   ASP  50          2HB       ASP  50  -8.631  10.089  -6.573
  381   2HB   ASP  50          1HB       ASP  50  -9.412  11.624  -6.203
  382    H    TYR  51           H        TYR  51  -9.703   8.217  -4.587
  383    HA   TYR  51           HA       TYR  51 -12.461   8.830  -4.546
  384   1HB   TYR  51          2HB       TYR  51 -11.509   6.728  -5.441
  385   2HB   TYR  51          1HB       TYR  51 -11.117   6.294  -3.782
  386    HD1  TYR  51           1HD      TYR  51 -13.629   6.215  -6.313
  387    HD2  TYR  51           2HD      TYR  51 -13.034   6.122  -2.103
  388    HE1  TYR  51           1HE      TYR  51 -15.888   5.299  -6.026
  389    HE2  TYR  51           2HE      TYR  51 -15.306   5.219  -1.799
  390    HH   TYR  51           HH       TYR  51 -17.294   4.284  -4.548
  391    H    GLU  52           H        GLU  52 -10.302   7.453  -2.125
  392    HA   GLU  52           HA       GLU  52 -12.297   7.587  -0.038
  393   1HB   GLU  52          2HB       GLU  52 -10.396   5.852  -0.392
  394   2HB   GLU  52          1HB       GLU  52  -9.372   7.046   0.370
  395   1HG   GLU  52          2HG       GLU  52 -11.870   5.994   1.648
  396   2HG   GLU  52          1HG       GLU  52 -10.288   5.258   1.876
  397    H    ASP  53           H        ASP  53  -9.024   8.796  -0.322
  398    HA   ASP  53           HA       ASP  53  -8.866  10.554   1.724
  399   1HB   ASP  53          2HB       ASP  53  -6.929  11.234   0.743
  400   2HB   ASP  53          1HB       ASP  53  -7.276   9.918  -0.368
  401    H    GLY  54           H        GLY  54 -10.365  11.216  -1.427
  402   1HA   GLY  54          2HA       GLY  54 -10.997  13.941  -0.775
  403   2HA   GLY  54          1HA       GLY  54 -11.563  13.046  -2.177
  404    H    LEU  55           H        LEU  55 -13.105  11.098  -1.328
  405    HA   LEU  55           HA       LEU  55 -15.421  12.436  -0.359
  406   1HB   LEU  55          2HB       LEU  55 -14.802   9.563  -0.959
  407   2HB   LEU  55          1HB       LEU  55 -16.339  10.044  -0.274
  408    HG   LEU  55           HG       LEU  55 -16.783  11.462  -2.220
  409   1HD1  LEU  55          1HD1      LEU  55 -14.619  12.138  -2.902
  410   2HD1  LEU  55          2HD1      LEU  55 -15.292  11.181  -4.220
  411   3HD1  LEU  55          3HD1      LEU  55 -14.095  10.472  -3.139
  412   1HD2  LEU  55          1HD2      LEU  55 -16.107   9.012  -3.637
  413   2HD2  LEU  55          2HD2      LEU  55 -17.681   9.733  -3.305
  414   3HD2  LEU  55          3HD2      LEU  55 -16.902   8.718  -2.092
  415    H    GLU  56           H        GLU  56 -14.189   9.419   1.011
  416    HA   GLU  56           HA       GLU  56 -15.176  10.113   3.608
  417   1HB   GLU  56          2HB       GLU  56 -15.169   7.797   2.727
  418   2HB   GLU  56          1HB       GLU  56 -13.414   7.804   2.770
  419   1HG   GLU  56          2HG       GLU  56 -13.470   8.073   5.198
  420   2HG   GLU  56          1HG       GLU  56 -15.232   8.079   5.153
  421    H    TYR  57           H        TYR  57 -13.582  12.167   3.204
  422    HA   TYR  57           HA       TYR  57 -10.856  11.851   3.811
  423   1HB   TYR  57          2HB       TYR  57 -10.940  14.291   4.367
  424   2HB   TYR  57          1HB       TYR  57 -11.614  13.891   2.792
  425    HD1  TYR  57           1HD      TYR  57 -13.564  15.002   2.217
  426    HD2  TYR  57           2HD      TYR  57 -12.802  14.192   6.327
  427    HE1  TYR  57           1HE      TYR  57 -15.635  16.176   2.829
  428    HE2  TYR  57           2HE      TYR  57 -14.870  15.362   6.945
  429    HH   TYR  57           HH       TYR  57 -16.351  17.139   5.956
  Start of MODEL   11
    1   1H    GLY   1          1HT       GLY   1 -19.729   1.407  10.067
    2   2H    GLY   1          2HT       GLY   1 -18.954   2.161   8.768
    3   3H    GLY   1          3HT       GLY   1 -20.637   1.982   8.760
    4   1HA   GLY   1          1HA       GLY   1 -20.505   3.347  10.956
    5   2HA   GLY   1          2HA       GLY   1 -18.967   3.862  10.279
    6    H    SER   2           H        SER   2 -19.355   5.919   9.688
    7    HA   SER   2           HA       SER   2 -21.793   6.886   8.669
    8   1HB   SER   2          2HB       SER   2 -20.492   8.896   8.027
    9   2HB   SER   2          1HB       SER   2 -20.147   8.381   9.676
   10    HG   SER   2           HG       SER   2 -18.203   7.587   9.028
   11    H    GLN   3           H        GLN   3 -18.784   5.956   7.045
   12    HA   GLN   3           HA       GLN   3 -18.249   5.581   4.873
   13   1HB   GLN   3          2HB       GLN   3 -19.789   4.090   3.649
   14   2HB   GLN   3          1HB       GLN   3 -19.489   3.554   5.295
   15   1HG   GLN   3          2HG       GLN   3 -21.644   4.413   5.995
   16   2HG   GLN   3          1HG       GLN   3 -21.942   5.036   4.372
   17   1HE2  GLN   3          1HE2      GLN   3 -22.666   2.608   6.412
   18   2HE2  GLN   3          2HE2      GLN   3 -23.049   1.360   5.280
   19    H    VAL   4           H        VAL   4 -17.965   7.222   3.519
   20    HA   VAL   4           HA       VAL   4 -19.731   9.249   3.032
   21    HB   VAL   4           HB       VAL   4 -18.215   9.528   0.908
   22   1HG1  VAL   4          1HG1      VAL   4 -16.603   9.731   3.330
   23   2HG1  VAL   4          2HG1      VAL   4 -18.215  10.434   3.459
   24   3HG1  VAL   4          3HG1      VAL   4 -17.112  10.984   2.198
   25   1HG2  VAL   4          1HG2      VAL   4 -16.573   8.073   0.552
   26   2HG2  VAL   4          2HG2      VAL   4 -17.345   7.016   1.728
   27   3HG2  VAL   4          3HG2      VAL   4 -16.085   8.137   2.244
   28    H    PHE   5           H        PHE   5 -18.772   7.641   0.079
   29    HA   PHE   5           HA       PHE   5 -21.268   8.001  -1.090
   30   1HB   PHE   5          2HB       PHE   5 -18.851   7.595  -2.092
   31   2HB   PHE   5          1HB       PHE   5 -19.358   5.910  -2.077
   32    HD1  PHE   5           1HD      PHE   5 -21.303   8.994  -2.828
   33    HD2  PHE   5           2HD      PHE   5 -19.701   5.331  -4.287
   34    HE1  PHE   5           1HE      PHE   5 -22.484   9.332  -4.960
   35    HE2  PHE   5           2HE      PHE   5 -20.879   5.664  -6.421
   36    HZ   PHE   5           HZ       PHE   5 -22.273   7.666  -6.760
   37    H    GLU   6           H        GLU   6 -21.429   5.290  -2.302
   38    HA   GLU   6           HA       GLU   6 -23.210   4.079  -0.456
   39   1HB   GLU   6          2HB       GLU   6 -21.937   3.286  -3.051
   40   2HB   GLU   6          1HB       GLU   6 -22.994   2.179  -2.181
   41   1HG   GLU   6          2HG       GLU   6 -23.744   4.904  -3.220
   42   2HG   GLU   6          1HG       GLU   6 -24.186   3.362  -3.949
   43    H    TYR   7           H        TYR   7 -19.955   3.584  -1.554
   44    HA   TYR   7           HA       TYR   7 -18.190   2.438  -0.843
   45   1HB   TYR   7          2HB       TYR   7 -19.494   3.405   1.511
   46   2HB   TYR   7          1HB       TYR   7 -18.766   1.843   1.862
   47    HD1  TYR   7           1HD      TYR   7 -16.518   2.438  -0.338
   48    HD2  TYR   7           2HD      TYR   7 -17.913   4.477   3.130
   49    HE1  TYR   7           1HE      TYR   7 -14.334   3.537  -0.092
   50    HE2  TYR   7           2HE      TYR   7 -15.758   5.555   3.373
   51    HH   TYR   7           HH       TYR   7 -13.673   6.012   1.195
   52    H    ALA   8           H        ALA   8 -20.233   0.906  -2.009
   53    HA   ALA   8           HA       ALA   8 -19.793  -1.668  -0.663
   54   1HB   ALA   8          1HB       ALA   8 -22.225  -0.810  -0.845
   55   2HB   ALA   8          2HB       ALA   8 -21.891  -2.456  -1.381
   56   3HB   ALA   8          3HB       ALA   8 -22.072  -1.162  -2.566
   57    H    GLU   9           H        GLU   9 -17.785  -0.984  -1.982
   58    HA   GLU   9           HA       GLU   9 -17.867  -1.384  -4.776
   59   1HB   GLU   9          2HB       GLU   9 -15.278  -1.843  -3.516
   60   2HB   GLU   9          1HB       GLU   9 -15.747  -0.688  -4.723
   61   1HG   GLU   9          2HG       GLU   9 -16.805   0.331  -2.377
   62   2HG   GLU   9          1HG       GLU   9 -15.229  -0.342  -1.944
   63    H    VAL  10           H        VAL  10 -16.796  -3.108  -1.951
   64    HA   VAL  10           HA       VAL  10 -16.272  -5.290  -1.559
   65    HB   VAL  10           HB       VAL  10 -18.697  -5.229  -1.667
   66   1HG1  VAL  10          1HG1      VAL  10 -19.411  -4.801  -3.791
   67   2HG1  VAL  10          2HG1      VAL  10 -19.653  -6.545  -3.721
   68   3HG1  VAL  10          3HG1      VAL  10 -18.232  -5.885  -4.524
   69   1HG2  VAL  10          1HG2      VAL  10 -17.970  -7.221  -0.786
   70   2HG2  VAL  10          2HG2      VAL  10 -17.154  -7.696  -2.276
   71   3HG2  VAL  10          3HG2      VAL  10 -18.911  -7.798  -2.162
   72    H    ASP  11           H        ASP  11 -14.749  -4.280  -3.436
   73    HA   ASP  11           HA       ASP  11 -13.310  -6.210  -4.581
   74   1HB   ASP  11          2HB       ASP  11 -15.755  -5.802  -6.193
   75   2HB   ASP  11          1HB       ASP  11 -14.250  -5.869  -7.102
   76    H    GLU  12           H        GLU  12 -14.550  -2.968  -4.832
   77    HA   GLU  12           HA       GLU  12 -12.148  -2.176  -6.388
   78   1HB   GLU  12          2HB       GLU  12 -14.602  -0.523  -6.146
   79   2HB   GLU  12          1HB       GLU  12 -13.368  -0.465  -7.395
   80   1HG   GLU  12          2HG       GLU  12 -14.134  -2.625  -8.252
   81   2HG   GLU  12          1HG       GLU  12 -15.389  -2.661  -7.016
   82    H    ILE  13           H        ILE  13 -11.127  -2.109  -4.249
   83    HA   ILE  13           HA       ILE  13 -10.728  -1.198  -2.128
   84    HB   ILE  13           HB       ILE  13  -9.264   0.644  -2.430
   85   1HG1  ILE  13          2HG1      ILE  13 -10.691   2.050  -3.901
   86   2HG1  ILE  13          1HG1      ILE  13  -9.054   1.876  -4.513
   87   1HG2  ILE  13          1HG2      ILE  13  -8.541  -1.551  -3.196
   88   2HG2  ILE  13          2HG2      ILE  13  -7.831  -0.285  -4.197
   89   3HG2  ILE  13          3HG2      ILE  13  -9.196  -1.222  -4.797
   90   1HD1  ILE  13          1HD1      ILE  13 -11.582   1.089  -5.702
   91   2HD1  ILE  13          2HD1      ILE  13 -10.360  -0.183  -5.745
   92   3HD1  ILE  13          3HD1      ILE  13 -10.016   1.396  -6.452
   93    H    VAL  14           H        VAL  14 -11.646  -0.426  -0.510
   94    HA   VAL  14           HA       VAL  14 -13.592   1.720  -0.760
   95    HB   VAL  14           HB       VAL  14 -13.598  -0.784   0.629
   96   1HG1  VAL  14          1HG1      VAL  14 -14.352  -0.174   2.843
   97   2HG1  VAL  14          2HG1      VAL  14 -14.202   1.540   2.469
   98   3HG1  VAL  14          3HG1      VAL  14 -12.759   0.537   2.584
   99   1HG2  VAL  14          1HG2      VAL  14 -15.377   0.973  -0.555
  100   2HG2  VAL  14          2HG2      VAL  14 -15.915   0.837   1.119
  101   3HG2  VAL  14          3HG2      VAL  14 -15.736  -0.609   0.129
  102    H    GLU  15           H        GLU  15 -10.503   0.880   0.655
  103    HA   GLU  15           HA       GLU  15 -10.496   3.613   1.673
  104   1HB   GLU  15          2HB       GLU  15 -10.354   1.191   3.340
  105   2HB   GLU  15          1HB       GLU  15  -9.239   2.489   3.766
  106   1HG   GLU  15          2HG       GLU  15 -11.121   4.066   3.854
  107   2HG   GLU  15          1HG       GLU  15 -12.225   2.739   3.498
  108    H    LYS  16           H        LYS  16  -8.177   3.860   2.963
  109    HA   LYS  16           HA       LYS  16  -5.942   2.638   1.777
  110   1HB   LYS  16          2HB       LYS  16  -5.211   4.249   0.215
  111   2HB   LYS  16          1HB       LYS  16  -6.893   3.884  -0.141
  112   1HG   LYS  16          2HG       LYS  16  -5.948   6.294   1.371
  113   2HG   LYS  16          1HG       LYS  16  -6.398   6.278  -0.327
  114   1HD   LYS  16          2HD       LYS  16  -8.440   6.843   0.407
  115   2HD   LYS  16          1HD       LYS  16  -8.586   5.142   0.850
  116   1HE   LYS  16          2HE       LYS  16  -7.689   5.708   3.096
  117   2HE   LYS  16          1HE       LYS  16  -7.696   7.406   2.629
  118   1HZ   LYS  16          1HZ       LYS  16 -10.045   5.616   2.905
  119   2HZ   LYS  16          2HZ       LYS  16 -10.121   7.161   2.221
  120   3HZ   LYS  16          3HZ       LYS  16  -9.673   6.978   3.841
  121    H    ARG  17           H        ARG  17  -4.215   4.971   1.723
  122    HA   ARG  17           HA       ARG  17  -3.018   6.359   3.038
  123   1HB   ARG  17          2HB       ARG  17  -5.465   6.308   4.795
  124   2HB   ARG  17          1HB       ARG  17  -4.029   7.237   5.178
  125   1HG   ARG  17          2HG       ARG  17  -5.766   7.573   2.747
  126   2HG   ARG  17          1HG       ARG  17  -5.697   8.638   4.147
  127   1HD   ARG  17          2HD       ARG  17  -3.435   8.072   2.233
  128   2HD   ARG  17          1HD       ARG  17  -4.406   9.542   2.284
  129    HE   ARG  17           HE       ARG  17  -3.272   9.128   4.813
  130   1HH1  ARG  17          1HH1      ARG  17  -2.313   9.938   1.564
  131   2HH1  ARG  17          2HH1      ARG  17  -0.924  10.844   2.061
  132   1HH2  ARG  17          1HH2      ARG  17  -1.447  10.321   5.479
  133   2HH2  ARG  17          2HH2      ARG  17  -0.431  11.062   4.288
  134    H    GLY  18           H        GLY  18  -2.119   3.918   3.124
  135   1HA   GLY  18          2HA       GLY  18  -2.113   2.705   5.692
  136   2HA   GLY  18          1HA       GLY  18  -1.021   2.339   4.373
  137    H    LYS  19           H        LYS  19   0.701   2.122   5.709
  138    HA   LYS  19           HA       LYS  19   1.580   3.720   7.746
  139   1HB   LYS  19          2HB       LYS  19   3.358   2.329   5.744
  140   2HB   LYS  19          1HB       LYS  19   3.796   2.801   7.374
  141   1HG   LYS  19          2HG       LYS  19   2.133   1.230   8.264
  142   2HG   LYS  19          1HG       LYS  19   1.746   0.729   6.617
  143   1HD   LYS  19          2HD       LYS  19   4.061  -0.014   6.306
  144   2HD   LYS  19          1HD       LYS  19   4.441   0.483   7.956
  145   1HE   LYS  19          2HE       LYS  19   2.451  -1.634   7.151
  146   2HE   LYS  19          1HE       LYS  19   4.053  -1.922   7.824
  147   1HZ   LYS  19          1HZ       LYS  19   3.138  -1.832   9.822
  148   2HZ   LYS  19          2HZ       LYS  19   1.632  -1.408   9.180
  149   3HZ   LYS  19          3HZ       LYS  19   2.754  -0.204   9.568
  150    H    GLY  20           H        GLY  20   3.888   4.870   7.519
  151   1HA   GLY  20          2HA       GLY  20   3.377   7.331   6.217
  152   2HA   GLY  20          1HA       GLY  20   4.903   6.849   6.944
  153    H    LYS  21           H        LYS  21   5.345   4.535   5.340
  154    HA   LYS  21           HA       LYS  21   5.719   5.743   2.677
  155   1HB   LYS  21          2HB       LYS  21   7.692   4.023   4.191
  156   2HB   LYS  21          1HB       LYS  21   7.898   4.584   2.538
  157   1HG   LYS  21          2HG       LYS  21   7.706   6.332   4.982
  158   2HG   LYS  21          1HG       LYS  21   9.181   5.935   4.098
  159   1HD   LYS  21          2HD       LYS  21   8.271   7.023   2.100
  160   2HD   LYS  21          1HD       LYS  21   6.800   7.423   2.991
  161   1HE   LYS  21          2HE       LYS  21   8.118   8.770   4.553
  162   2HE   LYS  21          1HE       LYS  21   9.584   8.372   3.659
  163   1HZ   LYS  21          1HZ       LYS  21   8.855   9.595   1.808
  164   2HZ   LYS  21          2HZ       LYS  21   8.519  10.580   3.142
  165   3HZ   LYS  21          3HZ       LYS  21   7.272   9.720   2.391
  166    H    ASP  22           H        ASP  22   3.578   4.104   3.429
  167    HA   ASP  22           HA       ASP  22   3.697   2.103   1.407
  168   1HB   ASP  22          2HB       ASP  22   3.383   1.158   4.268
  169   2HB   ASP  22          1HB       ASP  22   3.179   0.169   2.834
  170    H    VAL  23           H        VAL  23   1.975   2.770   0.493
  171    HA   VAL  23           HA       VAL  23  -0.538   3.126   2.004
  172    HB   VAL  23           HB       VAL  23  -0.183   3.946  -0.833
  173   1HG1  VAL  23          1HG1      VAL  23  -2.148   4.276   1.230
  174   2HG1  VAL  23          2HG1      VAL  23  -2.264   4.621  -0.494
  175   3HG1  VAL  23          3HG1      VAL  23  -1.642   5.845   0.610
  176   1HG2  VAL  23          1HG2      VAL  23   0.964   5.367   1.542
  177   2HG2  VAL  23          2HG2      VAL  23   0.392   6.286   0.150
  178   3HG2  VAL  23          3HG2      VAL  23   1.677   5.095  -0.048
  179    H    GLU  24           H        GLU  24  -2.467   2.403   0.852
  180    HA   GLU  24           HA       GLU  24  -2.350   0.756  -1.365
  181   1HB   GLU  24          2HB       GLU  24  -2.661  -1.435  -0.314
  182   2HB   GLU  24          1HB       GLU  24  -1.099  -0.727   0.045
  183   1HG   GLU  24          2HG       GLU  24  -1.979   0.070   2.205
  184   2HG   GLU  24          1HG       GLU  24  -3.473  -0.788   1.868
  185    H    TYR  25           H        TYR  25  -4.181  -0.181  -2.001
  186    HA   TYR  25           HA       TYR  25  -6.619   0.743  -0.681
  187   1HB   TYR  25          2HB       TYR  25  -6.010   0.697  -3.664
  188   2HB   TYR  25          1HB       TYR  25  -7.538   1.183  -2.928
  189    HD1  TYR  25           1HD      TYR  25  -3.913   1.902  -2.593
  190    HD2  TYR  25           2HD      TYR  25  -7.881   3.375  -2.578
  191    HE1  TYR  25           1HE      TYR  25  -3.067   4.209  -2.386
  192    HE2  TYR  25           2HE      TYR  25  -7.092   5.636  -2.402
  193    HH   TYR  25           HH       TYR  25  -5.295   6.982  -2.186
  194    H    LEU  26           H        LEU  26  -7.848  -0.723  -0.044
  195    HA   LEU  26           HA       LEU  26  -9.029  -2.778  -1.363
  196   1HB   LEU  26          2HB       LEU  26  -6.304  -3.364  -0.733
  197   2HB   LEU  26          1HB       LEU  26  -7.367  -4.496   0.082
  198    HG   LEU  26           HG       LEU  26  -7.559  -3.973  -2.872
  199   1HD1  LEU  26          1HD1      LEU  26  -5.349  -5.079  -1.565
  200   2HD1  LEU  26          2HD1      LEU  26  -5.717  -5.134  -3.289
  201   3HD1  LEU  26          3HD1      LEU  26  -6.248  -6.441  -2.230
  202   1HD2  LEU  26          1HD2      LEU  26  -8.234  -6.468  -1.352
  203   2HD2  LEU  26          2HD2      LEU  26  -8.782  -5.972  -2.950
  204   3HD2  LEU  26          3HD2      LEU  26  -9.388  -5.145  -1.513
  205    H    VAL  27           H        VAL  27 -10.609  -1.854   0.060
  206    HA   VAL  27           HA       VAL  27 -10.621  -3.154   2.663
  207    HB   VAL  27           HB       VAL  27 -11.001  -0.229   2.336
  208   1HG1  VAL  27          1HG1      VAL  27 -10.980  -0.484   4.965
  209   2HG1  VAL  27          2HG1      VAL  27 -11.587  -2.095   4.581
  210   3HG1  VAL  27          3HG1      VAL  27 -12.479  -0.669   4.056
  211   1HG2  VAL  27          1HG2      VAL  27  -9.056  -0.140   3.911
  212   2HG2  VAL  27          2HG2      VAL  27  -8.698  -0.725   2.286
  213   3HG2  VAL  27          3HG2      VAL  27  -8.850  -1.867   3.622
  214    H    ARG  28           H        ARG  28 -12.024  -3.450   0.135
  215    HA   ARG  28           HA       ARG  28 -14.772  -2.840   0.970
  216   1HB   ARG  28          2HB       ARG  28 -14.926  -3.527  -1.682
  217   2HB   ARG  28          1HB       ARG  28 -14.924  -1.914  -1.030
  218   1HG   ARG  28          2HG       ARG  28 -13.405  -1.993  -2.833
  219   2HG   ARG  28          1HG       ARG  28 -12.445  -1.836  -1.390
  220   1HD   ARG  28          2HD       ARG  28 -12.190  -4.363  -1.512
  221   2HD   ARG  28          1HD       ARG  28 -12.878  -4.273  -3.088
  222    HE   ARG  28           HE       ARG  28 -10.459  -2.787  -2.625
  223   1HH1  ARG  28          1HH1      ARG  28 -11.806  -5.816  -3.571
  224   2HH1  ARG  28          2HH1      ARG  28 -10.566  -6.168  -4.725
  225   1HH2  ARG  28          1HH2      ARG  28  -8.799  -3.219  -4.144
  226   2HH2  ARG  28          2HH2      ARG  28  -8.850  -4.699  -5.038
  227    H    TRP  29           H        TRP  29 -13.715  -5.131  -1.412
  228    HA   TRP  29           HA       TRP  29 -15.372  -6.926  -1.624
  229   1HB   TRP  29          2HB       TRP  29 -13.740  -8.507  -2.349
  230   2HB   TRP  29          1HB       TRP  29 -13.201  -6.883  -2.750
  231    HD1  TRP  29           HD       TRP  29 -11.533  -9.833  -2.109
  232    HE1  TRP  29           1HE      TRP  29  -9.378  -9.584  -0.696
  233    HE3  TRP  29           3HE      TRP  29 -12.375  -5.275  -0.052
  234    HZ2  TRP  29           2HZ      TRP  29  -8.186  -7.671   1.025
  235    HZ3  TRP  29           3HZ      TRP  29 -10.762  -4.335   1.416
  236    HH2  TRP  29           HH       TRP  29  -8.722  -5.449   1.994
  237    H    LYS  30           H        LYS  30 -12.992  -7.929   0.744
  238    HA   LYS  30           HA       LYS  30 -14.969  -9.718   1.878
  239   1HB   LYS  30          2HB       LYS  30 -12.883 -10.720   1.142
  240   2HB   LYS  30          1HB       LYS  30 -11.970  -9.653   2.199
  241   1HG   LYS  30          2HG       LYS  30 -12.952 -10.697   4.150
  242   2HG   LYS  30          1HG       LYS  30 -13.958 -11.719   3.120
  243   1HD   LYS  30          2HD       LYS  30 -11.926 -12.733   2.174
  244   2HD   LYS  30          1HD       LYS  30 -10.940 -11.727   3.236
  245   1HE   LYS  30          2HE       LYS  30 -11.179 -13.958   4.165
  246   2HE   LYS  30          1HE       LYS  30 -11.990 -12.774   5.188
  247   1HZ   LYS  30          1HZ       LYS  30 -13.947 -13.759   4.871
  248   2HZ   LYS  30          2HZ       LYS  30 -13.088 -15.071   4.239
  249   3HZ   LYS  30          3HZ       LYS  30 -13.723 -13.897   3.199
  250    H    ASP  31           H        ASP  31 -12.439  -7.562   3.020
  251    HA   ASP  31           HA       ASP  31 -12.473  -7.449   5.626
  252   1HB   ASP  31          2HB       ASP  31 -12.198  -5.001   5.506
  253   2HB   ASP  31          1HB       ASP  31 -11.325  -5.817   4.201
  254    H    GLY  32           H        GLY  32 -13.699  -6.950   7.356
  255   1HA   GLY  32          2HA       GLY  32 -16.223  -5.546   7.075
  256   2HA   GLY  32          1HA       GLY  32 -16.357  -7.235   7.558
  257    H    GLY  33           H        GLY  33 -14.423  -7.681   9.291
  258   1HA   GLY  33          2HA       GLY  33 -15.110  -5.921  11.526
  259   2HA   GLY  33          1HA       GLY  33 -14.287  -7.477  11.642
  260    H    ASP  34           H        ASP  34 -12.447  -6.879   9.517
  261    HA   ASP  34           HA       ASP  34 -10.807  -4.720  10.627
  262   1HB   ASP  34          2HB       ASP  34  -9.806  -7.506   9.991
  263   2HB   ASP  34          1HB       ASP  34  -8.808  -6.147  10.496
  264    H    CYS  35           H        CYS  35  -8.893  -4.300   9.104
  265    HA   CYS  35           HA       CYS  35  -9.960  -4.199   6.390
  266   1HB   CYS  35          2HB       CYS  35  -7.554  -2.830   7.605
  267   2HB   CYS  35          1HB       CYS  35  -8.149  -2.580   5.968
  268    HG   CYS  35           HG       CYS  35 -10.679  -2.056   7.927
  269    H    GLU  36           H        GLU  36  -8.915  -5.057   4.588
  270    HA   GLU  36           HA       GLU  36  -6.569  -6.745   5.150
  271   1HB   GLU  36          2HB       GLU  36  -8.211  -7.720   2.951
  272   2HB   GLU  36          1HB       GLU  36  -7.485  -8.602   4.284
  273   1HG   GLU  36          2HG       GLU  36  -9.436  -7.554   5.664
  274   2HG   GLU  36          1HG       GLU  36 -10.174  -7.350   4.076
  275    H    TRP  37           H        TRP  37  -6.206  -4.192   4.187
  276    HA   TRP  37           HA       TRP  37  -6.218  -3.834   1.427
  277   1HB   TRP  37          2HB       TRP  37  -4.100  -3.016   3.423
  278   2HB   TRP  37          1HB       TRP  37  -4.137  -2.519   1.751
  279    HD1  TRP  37           HD       TRP  37  -5.994  -0.683   1.048
  280    HE1  TRP  37           1HE      TRP  37  -7.213   1.076   2.476
  281    HE3  TRP  37           3HE      TRP  37  -5.108  -2.597   5.700
  282    HZ2  TRP  37           2HZ      TRP  37  -7.712   1.574   5.200
  283    HZ3  TRP  37           3HZ      TRP  37  -5.975  -1.416   7.662
  284    HH2  TRP  37           HH       TRP  37  -7.259   0.642   7.414
  285    H    VAL  38           H        VAL  38  -4.007  -3.744   0.176
  286    HA   VAL  38           HA       VAL  38  -2.361  -6.064   0.763
  287    HB   VAL  38           HB       VAL  38  -3.534  -5.547  -1.966
  288   1HG1  VAL  38          1HG1      VAL  38  -1.314  -6.345  -2.249
  289   2HG1  VAL  38          2HG1      VAL  38  -2.391  -7.714  -2.520
  290   3HG1  VAL  38          3HG1      VAL  38  -1.523  -7.564  -0.993
  291   1HG2  VAL  38          1HG2      VAL  38  -3.946  -7.890  -0.111
  292   2HG2  VAL  38          2HG2      VAL  38  -4.702  -7.640  -1.683
  293   3HG2  VAL  38          3HG2      VAL  38  -5.097  -6.574  -0.335
  294    H    LYS  39           H        LYS  39  -2.837  -3.537  -1.621
  295    HA   LYS  39           HA       LYS  39  -0.413  -2.156  -1.031
  296   1HB   LYS  39          2HB       LYS  39   0.189  -4.317  -2.430
  297   2HB   LYS  39          1HB       LYS  39  -0.391  -3.355  -3.781
  298   1HG   LYS  39          2HG       LYS  39   1.265  -1.665  -3.358
  299   2HG   LYS  39          1HG       LYS  39   1.786  -2.493  -1.889
  300   1HD   LYS  39          2HD       LYS  39   2.347  -4.475  -3.344
  301   2HD   LYS  39          1HD       LYS  39   2.070  -3.431  -4.738
  302   1HE   LYS  39          2HE       LYS  39   4.437  -3.526  -4.204
  303   2HE   LYS  39          1HE       LYS  39   3.809  -1.903  -3.927
  304   1HZ   LYS  39          1HZ       LYS  39   3.575  -3.431  -1.569
  305   2HZ   LYS  39          2HZ       LYS  39   4.458  -2.013  -1.828
  306   3HZ   LYS  39          3HZ       LYS  39   5.169  -3.518  -2.130
  307    H    GLY  40           H        GLY  40  -0.074  -0.282  -2.435
  308   1HA   GLY  40          2HA       GLY  40  -2.660   0.544  -3.589
  309   2HA   GLY  40          1HA       GLY  40  -1.508   1.652  -2.856
  310    H    VAL  41           H        VAL  41   0.794   1.182  -3.892
  311    HA   VAL  41           HA       VAL  41   0.914   2.445  -6.316
  312    HB   VAL  41           HB       VAL  41   2.899   1.930  -4.933
  313   1HG1  VAL  41          1HG1      VAL  41   2.681  -0.817  -6.158
  314   2HG1  VAL  41          2HG1      VAL  41   2.393  -0.416  -4.465
  315   3HG1  VAL  41          3HG1      VAL  41   4.007  -0.230  -5.154
  316   1HG2  VAL  41          1HG2      VAL  41   3.261   2.750  -7.159
  317   2HG2  VAL  41          2HG2      VAL  41   3.041   1.136  -7.838
  318   3HG2  VAL  41          3HG2      VAL  41   4.447   1.485  -6.832
  319    H    HIS  42           H        HIS  42   0.436  -0.985  -5.744
  320    HA   HIS  42           HA       HIS  42   0.409  -1.589  -8.570
  321   1HB   HIS  42          2HB       HIS  42   1.328  -3.388  -7.499
  322   2HB   HIS  42          1HB       HIS  42   0.438  -3.092  -6.014
  323    HD1  HIS  42           1HD      HIS  42  -0.172  -4.561  -9.476
  324    HD2  HIS  42           2HD      HIS  42  -1.605  -4.748  -5.587
  325    HE1  HIS  42           1HE      HIS  42  -1.880  -6.410  -9.486
  326    HE2  HIS  42           2HE      HIS  42  -2.735  -6.517  -7.114
  327    H    VAL  43           H        VAL  43  -1.822  -1.302  -5.860
  328    HA   VAL  43           HA       VAL  43  -4.123  -1.938  -7.516
  329    HB   VAL  43           HB       VAL  43  -4.102  -1.010  -4.640
  330   1HG1  VAL  43          1HG1      VAL  43  -6.292  -0.809  -5.263
  331   2HG1  VAL  43          2HG1      VAL  43  -6.272  -2.512  -4.808
  332   3HG1  VAL  43          3HG1      VAL  43  -6.170  -2.053  -6.507
  333   1HG2  VAL  43          1HG2      VAL  43  -2.746  -3.027  -4.873
  334   2HG2  VAL  43          2HG2      VAL  43  -4.061  -3.825  -5.736
  335   3HG2  VAL  43          3HG2      VAL  43  -4.260  -3.384  -4.040
  336    H    ALA  44           H        ALA  44  -2.736   0.390  -8.379
  337    HA   ALA  44           HA       ALA  44  -3.121   2.560  -8.983
  338   1HB   ALA  44          1HB       ALA  44  -5.194   2.892  -9.785
  339   2HB   ALA  44          2HB       ALA  44  -5.960   2.537  -8.237
  340   3HB   ALA  44          3HB       ALA  44  -5.461   1.221  -9.298
  341    H    GLU  45           H        GLU  45  -1.919   2.652  -6.721
  342    HA   GLU  45           HA       GLU  45  -3.185   3.551  -4.438
  343   1HB   GLU  45          2HB       GLU  45  -1.039   3.230  -3.845
  344   2HB   GLU  45          1HB       GLU  45  -0.465   3.489  -5.478
  345   1HG   GLU  45          2HG       GLU  45  -0.350   5.855  -5.123
  346   2HG   GLU  45          1HG       GLU  45  -1.110   5.706  -3.542
  347    H    ASP  46           H        ASP  46  -1.806   5.501  -7.073
  348    HA   ASP  46           HA       ASP  46  -2.856   7.922  -5.923
  349   1HB   ASP  46          2HB       ASP  46  -1.345   7.355  -8.470
  350   2HB   ASP  46          1HB       ASP  46  -1.918   8.963  -8.038
  351    H    VAL  47           H        VAL  47  -4.714   5.720  -6.984
  352    HA   VAL  47           HA       VAL  47  -6.208   7.430  -8.868
  353    HB   VAL  47           HB       VAL  47  -6.262   4.413  -8.571
  354   1HG1  VAL  47          1HG1      VAL  47  -7.512   5.391 -10.964
  355   2HG1  VAL  47          2HG1      VAL  47  -8.255   6.150  -9.556
  356   3HG1  VAL  47          3HG1      VAL  47  -8.194   4.392  -9.681
  357   1HG2  VAL  47          1HG2      VAL  47  -5.097   6.238 -10.672
  358   2HG2  VAL  47          2HG2      VAL  47  -5.380   4.517 -10.938
  359   3HG2  VAL  47          3HG2      VAL  47  -4.258   5.042  -9.682
  360    H    ALA  48           H        ALA  48  -6.569   5.051  -6.252
  361    HA   ALA  48           HA       ALA  48  -9.302   5.911  -5.823
  362   1HB   ALA  48          1HB       ALA  48  -8.994   4.257  -3.819
  363   2HB   ALA  48          2HB       ALA  48  -7.586   3.739  -4.750
  364   3HB   ALA  48          3HB       ALA  48  -9.194   3.663  -5.465
  365    H    LYS  49           H        LYS  49  -6.200   6.835  -4.743
  366    HA   LYS  49           HA       LYS  49  -6.668   7.576  -2.103
  367   1HB   LYS  49          2HB       LYS  49  -4.732   8.894  -2.240
  368   2HB   LYS  49          1HB       LYS  49  -4.470   7.682  -3.481
  369   1HG   LYS  49          2HG       LYS  49  -5.114   9.253  -5.205
  370   2HG   LYS  49          1HG       LYS  49  -5.466  10.475  -3.982
  371   1HD   LYS  49          2HD       LYS  49  -3.120  10.436  -3.275
  372   2HD   LYS  49          1HD       LYS  49  -2.770   9.233  -4.517
  373   1HE   LYS  49          2HE       LYS  49  -3.763  12.044  -4.973
  374   2HE   LYS  49          1HE       LYS  49  -2.128  11.455  -5.270
  375   1HZ   LYS  49          1HZ       LYS  49  -3.194   9.832  -6.855
  376   2HZ   LYS  49          2HZ       LYS  49  -3.205  11.452  -7.339
  377   3HZ   LYS  49          3HZ       LYS  49  -4.610  10.747  -6.717
  378    H    ASP  50           H        ASP  50  -7.109   9.447  -5.066
  379    HA   ASP  50           HA       ASP  50  -8.257  11.665  -3.753
  380   1HB   ASP  50          2HB       ASP  50  -8.101  10.805  -6.614
  381   2HB   ASP  50          1HB       ASP  50  -8.949  12.278  -6.144
  382    H    TYR  51           H        TYR  51  -9.492   8.744  -5.024
  383    HA   TYR  51           HA       TYR  51 -12.171   9.424  -5.359
  384   1HB   TYR  51          2HB       TYR  51 -11.545   7.394  -6.277
  385   2HB   TYR  51          1HB       TYR  51 -10.671   6.940  -4.824
  386    HD1  TYR  51           1HD      TYR  51 -14.161   8.141  -4.955
  387    HD2  TYR  51           2HD      TYR  51 -11.616   4.776  -4.457
  388    HE1  TYR  51           1HE      TYR  51 -16.080   6.809  -4.204
  389    HE2  TYR  51           2HE      TYR  51 -13.534   3.411  -3.734
  390    HH   TYR  51           HH       TYR  51 -15.951   3.405  -3.898
  391    H    GLU  52           H        GLU  52 -10.670   7.682  -2.690
  392    HA   GLU  52           HA       GLU  52 -13.044   8.214  -1.123
  393   1HB   GLU  52          2HB       GLU  52 -11.119   6.061  -1.297
  394   2HB   GLU  52          1HB       GLU  52 -11.530   6.471   0.370
  395   1HG   GLU  52          2HG       GLU  52 -13.222   5.375  -1.813
  396   2HG   GLU  52          1HG       GLU  52 -13.049   4.842  -0.153
  397    H    ASP  53           H        ASP  53  -9.530   8.501  -0.715
  398    HA   ASP  53           HA       ASP  53  -9.369   9.378   1.863
  399   1HB   ASP  53          2HB       ASP  53  -7.516   9.145   0.074
  400   2HB   ASP  53          1HB       ASP  53  -7.881  10.826  -0.314
  401    H    GLY  54           H        GLY  54 -10.684  11.033  -0.893
  402   1HA   GLY  54          2HA       GLY  54 -10.978  13.577   0.455
  403   2HA   GLY  54          1HA       GLY  54 -11.566  13.165  -1.152
  404    H    LEU  55           H        LEU  55 -13.005  10.762  -0.326
  405    HA   LEU  55           HA       LEU  55 -15.407  12.047   0.681
  406   1HB   LEU  55          2HB       LEU  55 -14.920   9.191  -0.155
  407   2HB   LEU  55          1HB       LEU  55 -16.473   9.934   0.165
  408    HG   LEU  55           HG       LEU  55 -14.619  10.742  -2.068
  409   1HD1  LEU  55          1HD1      LEU  55 -16.708   9.792  -3.359
  410   2HD1  LEU  55          2HD1      LEU  55 -16.880   8.818  -1.899
  411   3HD1  LEU  55          3HD1      LEU  55 -15.393   8.737  -2.844
  412   1HD2  LEU  55          1HD2      LEU  55 -15.860  12.640  -1.582
  413   2HD2  LEU  55          2HD2      LEU  55 -17.290  11.713  -1.133
  414   3HD2  LEU  55          3HD2      LEU  55 -16.824  11.848  -2.828
  415    H    GLU  56           H        GLU  56 -13.923   8.932   1.481
  416    HA   GLU  56           HA       GLU  56 -14.923   9.043   4.169
  417   1HB   GLU  56          2HB       GLU  56 -14.686   6.948   2.842
  418   2HB   GLU  56          1HB       GLU  56 -12.945   7.107   2.968
  419   1HG   GLU  56          2HG       GLU  56 -13.924   5.520   4.594
  420   2HG   GLU  56          1HG       GLU  56 -13.009   6.831   5.336
  421    H    TYR  57           H        TYR  57 -13.446  11.279   4.047
  422    HA   TYR  57           HA       TYR  57 -10.705  11.054   4.581
  423   1HB   TYR  57          2HB       TYR  57 -11.729  13.173   3.945
  424   2HB   TYR  57          1HB       TYR  57 -12.663  13.197   5.437
  425    HD1  TYR  57           1HD      TYR  57  -9.075  12.327   4.980
  426    HD2  TYR  57           2HD      TYR  57 -11.890  15.115   6.527
  427    HE1  TYR  57           1HE      TYR  57  -7.251  13.539   6.095
  428    HE2  TYR  57           2HE      TYR  57 -10.074  16.336   7.649
  429    HH   TYR  57           HH       TYR  57  -7.286  15.230   8.371
  Start of MODEL   12
    1   1H    GLY   1          1HT       GLY   1 -19.435  16.131   2.468
    2   2H    GLY   1          2HT       GLY   1 -21.047  16.642   2.450
    3   3H    GLY   1          3HT       GLY   1 -19.832  17.662   1.866
    4   1HA   GLY   1          1HA       GLY   1 -21.305  15.681   0.488
    5   2HA   GLY   1          2HA       GLY   1 -20.195  16.882  -0.158
    6    H    SER   2           H        SER   2 -20.733  13.819  -0.459
    7    HA   SER   2           HA       SER   2 -18.133  13.124  -1.259
    8   1HB   SER   2          2HB       SER   2 -17.645  11.368   0.434
    9   2HB   SER   2          1HB       SER   2 -17.628  12.994   1.117
   10    HG   SER   2           HG       SER   2 -19.591  10.985   1.376
   11    H    GLN   3           H        GLN   3 -21.022  11.644   0.197
   12    HA   GLN   3           HA       GLN   3 -22.403   9.985  -0.489
   13   1HB   GLN   3          2HB       GLN   3 -22.949  11.459  -2.277
   14   2HB   GLN   3          1HB       GLN   3 -21.487  11.062  -3.155
   15   1HG   GLN   3          2HG       GLN   3 -23.343   8.837  -2.595
   16   2HG   GLN   3          1HG       GLN   3 -23.903  10.059  -3.726
   17   1HE2  GLN   3          1HE2      GLN   3 -20.483   9.596  -3.705
   18   2HE2  GLN   3          2HE2      GLN   3 -20.397   8.639  -5.130
   19    H    VAL   4           H        VAL   4 -19.372   9.502  -0.177
   20    HA   VAL   4           HA       VAL   4 -19.288   6.951  -1.643
   21    HB   VAL   4           HB       VAL   4 -17.111   8.820  -0.723
   22   1HG1  VAL   4          1HG1      VAL   4 -15.697   7.103  -0.389
   23   2HG1  VAL   4          2HG1      VAL   4 -15.962   6.593  -2.056
   24   3HG1  VAL   4          3HG1      VAL   4 -16.965   5.936  -0.764
   25   1HG2  VAL   4          1HG2      VAL   4 -17.793   9.381  -2.850
   26   2HG2  VAL   4          2HG2      VAL   4 -18.187   7.722  -3.282
   27   3HG2  VAL   4          3HG2      VAL   4 -16.507   8.229  -3.198
   28    H    PHE   5           H        PHE   5 -18.961   8.527   1.407
   29    HA   PHE   5           HA       PHE   5 -18.013   6.706   3.155
   30   1HB   PHE   5          2HB       PHE   5 -19.622   7.598   4.828
   31   2HB   PHE   5          1HB       PHE   5 -18.761   8.821   3.913
   32    HD1  PHE   5           1HD      PHE   5 -20.010  10.657   3.273
   33    HD2  PHE   5           2HD      PHE   5 -21.918   6.868   3.599
   34    HE1  PHE   5           1HE      PHE   5 -22.157  11.693   2.677
   35    HE2  PHE   5           2HE      PHE   5 -24.072   7.899   2.998
   36    HZ   PHE   5           HZ       PHE   5 -24.166  10.346   2.508
   37    H    GLU   6           H        GLU   6 -20.997   6.336   1.353
   38    HA   GLU   6           HA       GLU   6 -22.181   4.370   2.956
   39   1HB   GLU   6          2HB       GLU   6 -23.396   3.696   0.944
   40   2HB   GLU   6          1HB       GLU   6 -23.357   5.447   1.098
   41   1HG   GLU   6          2HG       GLU   6 -21.475   5.500  -0.491
   42   2HG   GLU   6          1HG       GLU   6 -21.657   3.762  -0.717
   43    H    TYR   7           H        TYR   7 -19.912   4.068   0.206
   44    HA   TYR   7           HA       TYR   7 -18.604   2.359  -0.448
   45   1HB   TYR   7          2HB       TYR   7 -18.326   2.935   2.426
   46   2HB   TYR   7          1HB       TYR   7 -17.601   1.406   1.900
   47    HD1  TYR   7           1HD      TYR   7 -16.087   1.587  -0.195
   48    HD2  TYR   7           2HD      TYR   7 -17.133   4.899   2.208
   49    HE1  TYR   7           1HE      TYR   7 -14.137   2.790  -1.062
   50    HE2  TYR   7           2HE      TYR   7 -15.190   6.142   1.346
   51    HH   TYR   7           HH       TYR   7 -12.778   4.590  -0.618
   52    H    ALA   8           H        ALA   8 -17.911   0.083   0.551
   53    HA   ALA   8           HA       ALA   8 -18.484  -2.092   1.163
   54   1HB   ALA   8          1HB       ALA   8 -21.382  -1.398   0.705
   55   2HB   ALA   8          2HB       ALA   8 -20.582  -1.241   2.268
   56   3HB   ALA   8          3HB       ALA   8 -20.725  -2.824   1.507
   57    H    GLU   9           H        GLU   9 -17.628  -1.095  -1.227
   58    HA   GLU   9           HA       GLU   9 -19.115  -1.844  -3.461
   59   1HB   GLU   9          2HB       GLU   9 -16.566  -2.116  -4.315
   60   2HB   GLU   9          1HB       GLU   9 -17.444  -0.608  -4.290
   61   1HG   GLU   9          2HG       GLU   9 -15.754  -1.461  -1.952
   62   2HG   GLU   9          1HG       GLU   9 -15.062  -0.719  -3.375
   63    H    VAL  10           H        VAL  10 -17.137  -3.620  -1.269
   64    HA   VAL  10           HA       VAL  10 -16.483  -5.784  -1.145
   65    HB   VAL  10           HB       VAL  10 -18.886  -5.888  -0.824
   66   1HG1  VAL  10          1HG1      VAL  10 -20.079  -7.188  -2.776
   67   2HG1  VAL  10          2HG1      VAL  10 -18.887  -6.335  -3.754
   68   3HG1  VAL  10          3HG1      VAL  10 -20.012  -5.427  -2.750
   69   1HG2  VAL  10          1HG2      VAL  10 -18.815  -8.487  -1.767
   70   2HG2  VAL  10          2HG2      VAL  10 -18.261  -7.925  -0.188
   71   3HG2  VAL  10          3HG2      VAL  10 -17.119  -8.061  -1.527
   72    H    ASP  11           H        ASP  11 -15.229  -4.630  -3.063
   73    HA   ASP  11           HA       ASP  11 -13.949  -6.468  -4.512
   74   1HB   ASP  11          2HB       ASP  11 -15.883  -7.316  -5.611
   75   2HB   ASP  11          1HB       ASP  11 -16.425  -5.706  -6.066
   76    H    GLU  12           H        GLU  12 -14.994  -3.133  -4.445
   77    HA   GLU  12           HA       GLU  12 -12.748  -2.432  -6.264
   78   1HB   GLU  12          2HB       GLU  12 -15.320  -0.918  -5.896
   79   2HB   GLU  12          1HB       GLU  12 -14.035  -0.521  -7.030
   80   1HG   GLU  12          2HG       GLU  12 -14.455  -2.587  -8.250
   81   2HG   GLU  12          1HG       GLU  12 -15.722  -3.014  -7.100
   82    H    ILE  13           H        ILE  13 -11.723  -2.469  -3.967
   83    HA   ILE  13           HA       ILE  13 -11.033  -1.537  -2.036
   84    HB   ILE  13           HB       ILE  13  -9.879   0.606  -2.340
   85   1HG1  ILE  13          2HG1      ILE  13  -9.925   1.522  -4.775
   86   2HG1  ILE  13          1HG1      ILE  13 -11.496   0.741  -4.871
   87   1HG2  ILE  13          1HG2      ILE  13  -8.280  -0.187  -3.836
   88   2HG2  ILE  13          2HG2      ILE  13  -9.486  -0.969  -4.858
   89   3HG2  ILE  13          3HG2      ILE  13  -9.093  -1.649  -3.278
   90   1HD1  ILE  13          1HD1      ILE  13 -11.423   2.253  -2.479
   91   2HD1  ILE  13          2HD1      ILE  13 -12.416   2.505  -3.916
   92   3HD1  ILE  13          3HD1      ILE  13 -10.832   3.268  -3.794
   93    H    VAL  14           H        VAL  14 -11.821  -0.840  -0.224
   94    HA   VAL  14           HA       VAL  14 -14.055   1.027  -0.285
   95    HB   VAL  14           HB       VAL  14 -13.788  -1.480   1.018
   96   1HG1  VAL  14          1HG1      VAL  14 -12.798  -0.222   2.943
   97   2HG1  VAL  14          2HG1      VAL  14 -14.327  -1.006   3.331
   98   3HG1  VAL  14          3HG1      VAL  14 -14.280   0.729   3.027
   99   1HG2  VAL  14          1HG2      VAL  14 -15.773  -0.382  -0.072
  100   2HG2  VAL  14          2HG2      VAL  14 -15.987   0.501   1.437
  101   3HG2  VAL  14          3HG2      VAL  14 -16.085  -1.258   1.426
  102    H    GLU  15           H        GLU  15 -10.864   0.375   1.005
  103    HA   GLU  15           HA       GLU  15 -11.056   3.036   2.298
  104   1HB   GLU  15          2HB       GLU  15 -10.774   0.608   3.660
  105   2HB   GLU  15          1HB       GLU  15  -9.162   1.336   3.662
  106   1HG   GLU  15          2HG       GLU  15 -10.096   3.426   4.537
  107   2HG   GLU  15          1HG       GLU  15 -11.694   2.681   4.576
  108    H    LYS  16           H        LYS  16  -8.412   3.141   3.286
  109    HA   LYS  16           HA       LYS  16  -6.464   2.639   1.321
  110   1HB   LYS  16          2HB       LYS  16  -6.259   5.069   0.567
  111   2HB   LYS  16          1HB       LYS  16  -7.581   4.126  -0.101
  112   1HG   LYS  16          2HG       LYS  16  -8.323   6.354   0.474
  113   2HG   LYS  16          1HG       LYS  16  -9.135   5.139   1.457
  114   1HD   LYS  16          2HD       LYS  16  -7.679   5.632   3.328
  115   2HD   LYS  16          1HD       LYS  16  -6.756   6.768   2.345
  116   1HE   LYS  16          2HE       LYS  16  -8.851   8.091   2.068
  117   2HE   LYS  16          1HE       LYS  16  -9.624   6.991   3.208
  118   1HZ   LYS  16          1HZ       LYS  16  -7.684   7.629   4.737
  119   2HZ   LYS  16          2HZ       LYS  16  -8.951   8.733   4.538
  120   3HZ   LYS  16          3HZ       LYS  16  -7.493   8.958   3.708
  121    H    ARG  17           H        ARG  17  -4.564   4.444   1.543
  122    HA   ARG  17           HA       ARG  17  -3.055   5.483   2.840
  123   1HB   ARG  17          2HB       ARG  17  -5.444   5.871   4.622
  124   2HB   ARG  17          1HB       ARG  17  -3.847   6.429   5.081
  125   1HG   ARG  17          2HG       ARG  17  -4.898   7.228   2.422
  126   2HG   ARG  17          1HG       ARG  17  -5.567   8.003   3.858
  127   1HD   ARG  17          2HD       ARG  17  -3.795   9.383   3.170
  128   2HD   ARG  17          1HD       ARG  17  -3.165   8.468   4.537
  129    HE   ARG  17           HE       ARG  17  -2.559   7.170   2.092
  130   1HH1  ARG  17          1HH1      ARG  17  -1.642   9.872   4.085
  131   2HH1  ARG  17          2HH1      ARG  17  -0.028   9.953   3.462
  132   1HH2  ARG  17          1HH2      ARG  17  -0.432   7.267   1.261
  133   2HH2  ARG  17          2HH2      ARG  17   0.659   8.471   1.856
  134    H    GLY  18           H        GLY  18  -1.439   4.767   4.151
  135   1HA   GLY  18          2HA       GLY  18  -2.007   2.883   6.275
  136   2HA   GLY  18          1HA       GLY  18  -1.119   2.223   4.915
  137    H    LYS  19           H        LYS  19   0.628   1.739   6.128
  138    HA   LYS  19           HA       LYS  19   1.976   3.178   8.003
  139   1HB   LYS  19          2HB       LYS  19   3.339   1.537   5.869
  140   2HB   LYS  19          1HB       LYS  19   3.954   1.899   7.469
  141   1HG   LYS  19          2HG       LYS  19   1.550   0.199   6.847
  142   2HG   LYS  19          1HG       LYS  19   3.139  -0.379   7.349
  143   1HD   LYS  19          2HD       LYS  19   2.885   0.873   9.466
  144   2HD   LYS  19          1HD       LYS  19   1.262   1.347   8.961
  145   1HE   LYS  19          2HE       LYS  19   1.213  -0.570  10.485
  146   2HE   LYS  19          1HE       LYS  19   0.579  -0.985   8.891
  147   1HZ   LYS  19          1HZ       LYS  19   2.668  -2.027   8.347
  148   2HZ   LYS  19          2HZ       LYS  19   2.072  -2.689   9.785
  149   3HZ   LYS  19          3HZ       LYS  19   3.336  -1.567   9.832
  150    H    GLY  20           H        GLY  20   3.828   4.548   7.987
  151   1HA   GLY  20          2HA       GLY  20   3.721   6.757   6.352
  152   2HA   GLY  20          1HA       GLY  20   5.180   6.243   7.189
  153    H    LYS  21           H        LYS  21   5.261   3.688   5.729
  154    HA   LYS  21           HA       LYS  21   5.973   4.650   3.042
  155   1HB   LYS  21          2HB       LYS  21   7.592   2.774   4.776
  156   2HB   LYS  21          1HB       LYS  21   7.936   3.131   3.090
  157   1HG   LYS  21          2HG       LYS  21   8.287   5.486   3.668
  158   2HG   LYS  21          1HG       LYS  21   7.972   5.108   5.363
  159   1HD   LYS  21          2HD       LYS  21   9.887   3.596   5.390
  160   2HD   LYS  21          1HD       LYS  21  10.191   3.935   3.686
  161   1HE   LYS  21          2HE       LYS  21  11.694   5.226   5.087
  162   2HE   LYS  21          1HE       LYS  21  10.577   6.292   4.236
  163   1HZ   LYS  21          1HZ       LYS  21  10.190   5.381   7.034
  164   2HZ   LYS  21          2HZ       LYS  21   9.290   6.554   6.210
  165   3HZ   LYS  21          3HZ       LYS  21  10.906   6.855   6.610
  166    H    ASP  22           H        ASP  22   3.540   3.508   3.486
  167    HA   ASP  22           HA       ASP  22   3.499   1.413   1.648
  168   1HB   ASP  22          2HB       ASP  22   4.473   0.189   3.661
  169   2HB   ASP  22          1HB       ASP  22   2.905   0.409   4.429
  170    H    VAL  23           H        VAL  23   1.792   2.095   0.695
  171    HA   VAL  23           HA       VAL  23  -0.709   2.668   2.188
  172    HB   VAL  23           HB       VAL  23  -0.211   3.525  -0.619
  173   1HG1  VAL  23          1HG1      VAL  23  -2.434   3.796   0.067
  174   2HG1  VAL  23          2HG1      VAL  23  -1.729   5.406   0.194
  175   3HG1  VAL  23          3HG1      VAL  23  -1.964   4.430   1.642
  176   1HG2  VAL  23          1HG2      VAL  23   0.448   5.376   1.652
  177   2HG2  VAL  23          2HG2      VAL  23   0.883   5.509  -0.051
  178   3HG2  VAL  23          3HG2      VAL  23   1.682   4.317   0.972
  179    H    GLU  24           H        GLU  24  -2.585   1.753   1.399
  180    HA   GLU  24           HA       GLU  24  -2.512   0.251  -1.017
  181   1HB   GLU  24          2HB       GLU  24  -3.517  -1.758   0.369
  182   2HB   GLU  24          1HB       GLU  24  -1.815  -1.609  -0.009
  183   1HG   GLU  24          2HG       GLU  24  -2.931  -0.499   2.533
  184   2HG   GLU  24          1HG       GLU  24  -2.497  -2.191   2.368
  185    H    TYR  25           H        TYR  25  -4.400  -0.468  -1.777
  186    HA   TYR  25           HA       TYR  25  -6.802   0.672  -0.557
  187   1HB   TYR  25          2HB       TYR  25  -6.127   0.717  -3.507
  188   2HB   TYR  25          1HB       TYR  25  -7.490   1.515  -2.703
  189    HD1  TYR  25           1HD      TYR  25  -3.794   1.378  -2.734
  190    HD2  TYR  25           2HD      TYR  25  -7.250   3.646  -1.872
  191    HE1  TYR  25           1HE      TYR  25  -2.376   3.269  -2.158
  192    HE2  TYR  25           2HE      TYR  25  -5.837   5.552  -1.280
  193    HH   TYR  25           HH       TYR  25  -2.340   5.491  -1.699
  194    H    LEU  26           H        LEU  26  -7.628  -1.096   0.175
  195    HA   LEU  26           HA       LEU  26  -9.152  -2.701  -1.374
  196   1HB   LEU  26          2HB       LEU  26  -7.876  -4.880  -1.103
  197   2HB   LEU  26          1HB       LEU  26  -7.479  -3.775  -2.396
  198    HG   LEU  26           HG       LEU  26  -5.873  -3.359  -0.007
  199   1HD1  LEU  26          1HD1      LEU  26  -6.053  -6.023  -1.344
  200   2HD1  LEU  26          2HD1      LEU  26  -5.842  -5.649   0.362
  201   3HD1  LEU  26          3HD1      LEU  26  -4.503  -5.442  -0.759
  202   1HD2  LEU  26          1HD2      LEU  26  -4.179  -3.873  -2.014
  203   2HD2  LEU  26          2HD2      LEU  26  -4.918  -2.302  -1.741
  204   3HD2  LEU  26          3HD2      LEU  26  -5.605  -3.402  -2.934
  205    H    VAL  27           H        VAL  27 -10.563  -2.139   0.160
  206    HA   VAL  27           HA       VAL  27 -10.358  -3.724   2.576
  207    HB   VAL  27           HB       VAL  27 -11.027  -0.824   2.538
  208   1HG1  VAL  27          1HG1      VAL  27 -10.614  -1.441   5.144
  209   2HG1  VAL  27          2HG1      VAL  27 -11.365  -2.929   4.573
  210   3HG1  VAL  27          3HG1      VAL  27 -12.205  -1.389   4.387
  211   1HG2  VAL  27          1HG2      VAL  27  -8.816  -0.628   2.502
  212   2HG2  VAL  27          2HG2      VAL  27  -8.552  -2.313   2.947
  213   3HG2  VAL  27          3HG2      VAL  27  -8.908  -1.117   4.191
  214    H    ARG  28           H        ARG  28 -12.066  -3.968   0.161
  215    HA   ARG  28           HA       ARG  28 -14.713  -3.479   1.355
  216   1HB   ARG  28          2HB       ARG  28 -15.222  -3.623  -1.303
  217   2HB   ARG  28          1HB       ARG  28 -14.954  -2.150  -0.410
  218   1HG   ARG  28          2HG       ARG  28 -13.673  -1.974  -2.337
  219   2HG   ARG  28          1HG       ARG  28 -12.522  -2.355  -1.069
  220   1HD   ARG  28          2HD       ARG  28 -13.539  -4.699  -2.352
  221   2HD   ARG  28          1HD       ARG  28 -12.810  -3.651  -3.487
  222    HE   ARG  28           HE       ARG  28 -11.092  -3.957  -1.308
  223   1HH1  ARG  28          1HH1      ARG  28 -12.247  -5.644  -4.119
  224   2HH1  ARG  28          2HH1      ARG  28 -10.961  -6.798  -4.113
  225   1HH2  ARG  28          1HH2      ARG  28  -9.479  -5.537  -1.233
  226   2HH2  ARG  28          2HH2      ARG  28  -9.358  -6.708  -2.497
  227    H    TRP  29           H        TRP  29 -13.045  -5.579  -0.873
  228    HA   TRP  29           HA       TRP  29 -14.949  -7.253  -1.650
  229   1HB   TRP  29          2HB       TRP  29 -13.170  -8.989  -1.945
  230   2HB   TRP  29          1HB       TRP  29 -12.871  -7.431  -2.683
  231    HD1  TRP  29           HD       TRP  29 -10.494  -9.281  -2.421
  232    HE1  TRP  29           1HE      TRP  29  -8.487  -8.782  -0.884
  233    HE3  TRP  29           3HE      TRP  29 -12.647  -6.037   0.951
  234    HZ2  TRP  29           2HZ      TRP  29  -7.865  -7.266   1.320
  235    HZ3  TRP  29           3HZ      TRP  29 -11.295  -5.152   2.723
  236    HH2  TRP  29           HH       TRP  29  -8.940  -5.740   2.925
  237    H    LYS  30           H        LYS  30 -12.796  -8.494   0.753
  238    HA   LYS  30           HA       LYS  30 -14.823 -10.285   1.746
  239   1HB   LYS  30          2HB       LYS  30 -12.616 -11.198   1.314
  240   2HB   LYS  30          1HB       LYS  30 -11.884 -10.024   2.396
  241   1HG   LYS  30          2HG       LYS  30 -12.003 -12.140   3.508
  242   2HG   LYS  30          1HG       LYS  30 -13.146 -11.033   4.272
  243   1HD   LYS  30          2HD       LYS  30 -14.981 -12.046   3.041
  244   2HD   LYS  30          1HD       LYS  30 -13.852 -13.115   2.204
  245   1HE   LYS  30          2HE       LYS  30 -14.328 -13.055   5.184
  246   2HE   LYS  30          1HE       LYS  30 -15.005 -14.239   4.066
  247   1HZ   LYS  30          1HZ       LYS  30 -13.144 -15.412   4.164
  248   2HZ   LYS  30          2HZ       LYS  30 -12.574 -14.371   5.369
  249   3HZ   LYS  30          3HZ       LYS  30 -12.195 -14.074   3.747
  250    H    ASP  31           H        ASP  31 -12.627  -7.839   3.003
  251    HA   ASP  31           HA       ASP  31 -12.839  -7.615   5.561
  252   1HB   ASP  31          2HB       ASP  31 -11.856  -5.853   4.362
  253   2HB   ASP  31          1HB       ASP  31 -13.371  -5.414   3.582
  254    H    GLY  32           H        GLY  32 -14.093  -7.088   7.218
  255   1HA   GLY  32          2HA       GLY  32 -16.806  -6.179   6.967
  256   2HA   GLY  32          1HA       GLY  32 -16.681  -7.867   7.457
  257    H    GLY  33           H        GLY  33 -14.678  -8.053   9.107
  258   1HA   GLY  33          2HA       GLY  33 -15.509  -6.415  11.374
  259   2HA   GLY  33          1HA       GLY  33 -14.538  -7.877  11.452
  260    H    ASP  34           H        ASP  34 -12.563  -7.215   9.580
  261    HA   ASP  34           HA       ASP  34 -11.268  -4.831  10.732
  262   1HB   ASP  34          2HB       ASP  34 -10.441  -7.120  11.624
  263   2HB   ASP  34          1HB       ASP  34  -9.749  -7.341  10.019
  264    H    CYS  35           H        CYS  35  -9.232  -4.292   9.305
  265    HA   CYS  35           HA       CYS  35 -10.147  -4.236   6.539
  266   1HB   CYS  35          2HB       CYS  35  -7.824  -2.822   7.846
  267   2HB   CYS  35          1HB       CYS  35  -8.366  -2.580   6.187
  268    HG   CYS  35           HG       CYS  35  -9.451  -0.399   7.191
  269    H    GLU  36           H        GLU  36  -8.945  -5.038   4.770
  270    HA   GLU  36           HA       GLU  36  -6.679  -6.744   5.546
  271   1HB   GLU  36          2HB       GLU  36  -8.114  -7.848   3.296
  272   2HB   GLU  36          1HB       GLU  36  -7.614  -8.623   4.787
  273   1HG   GLU  36          2HG       GLU  36  -9.711  -7.304   5.734
  274   2HG   GLU  36          1HG       GLU  36 -10.210  -7.400   4.044
  275    H    TRP  37           H        TRP  37  -6.507  -4.105   4.306
  276    HA   TRP  37           HA       TRP  37  -6.187  -4.080   1.547
  277   1HB   TRP  37          2HB       TRP  37  -4.213  -2.970   3.527
  278   2HB   TRP  37          1HB       TRP  37  -4.287  -2.558   1.867
  279    HD1  TRP  37           HD       TRP  37  -5.905  -0.845   1.157
  280    HE1  TRP  37           1HE      TRP  37  -7.186   1.027   2.396
  281    HE3  TRP  37           3HE      TRP  37  -5.424  -2.605   5.859
  282    HZ2  TRP  37           2HZ      TRP  37  -7.861   1.629   5.082
  283    HZ3  TRP  37           3HZ      TRP  37  -6.380  -1.345   7.730
  284    HH2  TRP  37           HH       TRP  37  -7.581   0.743   7.345
  285    H    VAL  38           H        VAL  38  -3.687  -3.948   0.631
  286    HA   VAL  38           HA       VAL  38  -1.968  -5.937   1.786
  287    HB   VAL  38           HB       VAL  38  -2.895  -6.364  -1.047
  288   1HG1  VAL  38          1HG1      VAL  38  -1.403  -8.515   0.141
  289   2HG1  VAL  38          2HG1      VAL  38  -0.473  -7.017   0.173
  290   3HG1  VAL  38          3HG1      VAL  38  -1.101  -7.632  -1.357
  291   1HG2  VAL  38          1HG2      VAL  38  -3.945  -8.374  -0.279
  292   2HG2  VAL  38          2HG2      VAL  38  -4.529  -7.056   0.732
  293   3HG2  VAL  38          3HG2      VAL  38  -3.298  -8.156   1.346
  294    H    LYS  39           H        LYS  39  -2.493  -4.013  -1.095
  295    HA   LYS  39           HA       LYS  39  -0.018  -2.567  -0.837
  296   1HB   LYS  39          2HB       LYS  39   0.607  -3.329  -3.211
  297   2HB   LYS  39          1HB       LYS  39   0.926  -4.455  -1.893
  298   1HG   LYS  39          2HG       LYS  39  -1.292  -5.531  -2.425
  299   2HG   LYS  39          1HG       LYS  39  -1.342  -4.532  -3.874
  300   1HD   LYS  39          2HD       LYS  39  -0.506  -6.851  -4.239
  301   2HD   LYS  39          1HD       LYS  39   0.613  -5.595  -4.750
  302   1HE   LYS  39          2HE       LYS  39   1.911  -5.885  -2.721
  303   2HE   LYS  39          1HE       LYS  39   0.743  -7.059  -2.115
  304   1HZ   LYS  39          1HZ       LYS  39   2.135  -8.536  -3.023
  305   2HZ   LYS  39          2HZ       LYS  39   2.876  -7.398  -4.031
  306   3HZ   LYS  39          3HZ       LYS  39   1.414  -8.111  -4.493
  307    H    GLY  40           H        GLY  40  -0.117  -0.629  -1.874
  308   1HA   GLY  40          2HA       GLY  40  -2.644  -0.071  -3.247
  309   2HA   GLY  40          1HA       GLY  40  -1.568   1.131  -2.547
  310    H    VAL  41           H        VAL  41   0.817   0.660  -3.618
  311    HA   VAL  41           HA       VAL  41   0.814   1.892  -6.062
  312    HB   VAL  41           HB       VAL  41   2.844  -0.086  -5.033
  313   1HG1  VAL  41          1HG1      VAL  41   3.531   0.084  -7.204
  314   2HG1  VAL  41          2HG1      VAL  41   4.324   1.511  -6.540
  315   3HG1  VAL  41          3HG1      VAL  41   2.806   1.676  -7.424
  316   1HG2  VAL  41          1HG2      VAL  41   3.098   2.892  -4.946
  317   2HG2  VAL  41          2HG2      VAL  41   3.928   1.673  -3.979
  318   3HG2  VAL  41          3HG2      VAL  41   2.226   2.024  -3.684
  319    H    HIS  42           H        HIS  42   0.824  -1.567  -5.384
  320    HA   HIS  42           HA       HIS  42   0.793  -2.346  -8.138
  321   1HB   HIS  42          2HB       HIS  42  -0.053  -3.981  -5.734
  322   2HB   HIS  42          1HB       HIS  42   0.444  -4.590  -7.308
  323    HD1  HIS  42           1HD      HIS  42   3.070  -3.525  -7.878
  324    HD2  HIS  42           2HD      HIS  42   1.938  -4.373  -3.962
  325    HE1  HIS  42           1HE      HIS  42   5.219  -3.772  -6.593
  326    HE2  HIS  42           2HE      HIS  42   4.512  -4.216  -4.218
  327    H    VAL  43           H        VAL  43  -1.542  -1.748  -5.604
  328    HA   VAL  43           HA       VAL  43  -3.766  -2.456  -7.364
  329    HB   VAL  43           HB       VAL  43  -3.831  -1.676  -4.428
  330   1HG1  VAL  43          1HG1      VAL  43  -6.070  -3.151  -4.941
  331   2HG1  VAL  43          2HG1      VAL  43  -5.898  -2.242  -6.441
  332   3HG1  VAL  43          3HG1      VAL  43  -6.013  -1.388  -4.902
  333   1HG2  VAL  43          1HG2      VAL  43  -3.713  -3.905  -3.871
  334   2HG2  VAL  43          2HG2      VAL  43  -2.642  -3.870  -5.267
  335   3HG2  VAL  43          3HG2      VAL  43  -4.300  -4.448  -5.441
  336    H    ALA  44           H        ALA  44  -2.268  -0.119  -8.041
  337    HA   ALA  44           HA       ALA  44  -2.580   2.059  -8.641
  338   1HB   ALA  44          1HB       ALA  44  -4.631   2.559  -9.485
  339   2HB   ALA  44          2HB       ALA  44  -5.482   1.981  -8.052
  340   3HB   ALA  44          3HB       ALA  44  -4.876   0.829  -9.243
  341    H    GLU  45           H        GLU  45  -1.419   2.501  -6.623
  342    HA   GLU  45           HA       GLU  45  -2.613   3.019  -4.196
  343   1HB   GLU  45          2HB       GLU  45  -0.233   2.835  -4.353
  344   2HB   GLU  45          1HB       GLU  45  -0.136   4.236  -5.403
  345   1HG   GLU  45          2HG       GLU  45  -1.071   5.560  -3.446
  346   2HG   GLU  45          1HG       GLU  45  -0.746   4.137  -2.467
  347    H    ASP  46           H        ASP  46  -1.509   5.556  -6.431
  348    HA   ASP  46           HA       ASP  46  -2.981   7.581  -5.065
  349   1HB   ASP  46          2HB       ASP  46  -1.605   7.638  -7.757
  350   2HB   ASP  46          1HB       ASP  46  -2.227   9.051  -6.912
  351    H    VAL  47           H        VAL  47  -4.148   5.213  -7.042
  352    HA   VAL  47           HA       VAL  47  -6.033   6.904  -8.470
  353    HB   VAL  47           HB       VAL  47  -5.791   3.898  -8.437
  354   1HG1  VAL  47          1HG1      VAL  47  -7.203   3.949 -10.416
  355   2HG1  VAL  47          2HG1      VAL  47  -7.305   5.708 -10.318
  356   3HG1  VAL  47          3HG1      VAL  47  -8.027   4.709  -9.057
  357   1HG2  VAL  47          1HG2      VAL  47  -4.911   4.445 -10.830
  358   2HG2  VAL  47          2HG2      VAL  47  -3.827   4.561  -9.443
  359   3HG2  VAL  47          3HG2      VAL  47  -4.543   6.020 -10.125
  360    H    ALA  48           H        ALA  48  -6.030   4.474  -5.895
  361    HA   ALA  48           HA       ALA  48  -8.891   4.634  -5.581
  362   1HB   ALA  48          1HB       ALA  48  -6.712   3.040  -4.373
  363   2HB   ALA  48          2HB       ALA  48  -8.237   2.523  -5.085
  364   3HB   ALA  48          3HB       ALA  48  -8.213   3.213  -3.464
  365    H    LYS  49           H        LYS  49  -6.066   5.941  -3.868
  366    HA   LYS  49           HA       LYS  49  -7.249   6.738  -1.513
  367   1HB   LYS  49          2HB       LYS  49  -4.834   6.982  -2.105
  368   2HB   LYS  49          1HB       LYS  49  -5.278   8.360  -3.082
  369   1HG   LYS  49          2HG       LYS  49  -5.955   9.609  -1.204
  370   2HG   LYS  49          1HG       LYS  49  -5.819   8.201  -0.149
  371   1HD   LYS  49          2HD       LYS  49  -3.908   9.556   0.246
  372   2HD   LYS  49          1HD       LYS  49  -3.367   8.164  -0.693
  373   1HE   LYS  49          2HE       LYS  49  -4.046  10.847  -1.884
  374   2HE   LYS  49          1HE       LYS  49  -2.416  10.354  -1.432
  375   1HZ   LYS  49          1HZ       LYS  49  -2.298   9.580  -3.501
  376   2HZ   LYS  49          2HZ       LYS  49  -3.971   9.638  -3.738
  377   3HZ   LYS  49          3HZ       LYS  49  -3.272   8.302  -2.973
  378    H    ASP  50           H        ASP  50  -7.191   8.580  -4.546
  379    HA   ASP  50           HA       ASP  50  -8.610  10.773  -3.611
  380   1HB   ASP  50          2HB       ASP  50  -8.662   9.576  -6.363
  381   2HB   ASP  50          1HB       ASP  50  -9.243  11.184  -5.963
  382    H    TYR  51           H        TYR  51  -9.657   7.593  -4.414
  383    HA   TYR  51           HA       TYR  51 -12.396   8.050  -4.776
  384   1HB   TYR  51          2HB       TYR  51 -11.130   5.908  -5.205
  385   2HB   TYR  51          1HB       TYR  51 -11.217   5.662  -3.468
  386    HD1  TYR  51           1HD      TYR  51 -13.369   6.190  -6.449
  387    HD2  TYR  51           2HD      TYR  51 -13.062   4.671  -2.490
  388    HE1  TYR  51           1HE      TYR  51 -15.608   5.194  -6.668
  389    HE2  TYR  51           2HE      TYR  51 -15.302   3.670  -2.694
  390    HH   TYR  51           HH       TYR  51 -16.850   3.198  -5.553
  391    H    GLU  52           H        GLU  52 -10.658   6.961  -1.873
  392    HA   GLU  52           HA       GLU  52 -12.972   7.617  -0.208
  393   1HB   GLU  52          2HB       GLU  52 -11.311   5.554   0.007
  394   2HB   GLU  52          1HB       GLU  52 -10.352   6.703   0.919
  395   1HG   GLU  52          2HG       GLU  52 -13.220   6.093   1.566
  396   2HG   GLU  52          1HG       GLU  52 -11.865   5.213   2.261
  397    H    ASP  53           H        ASP  53  -9.509   8.144  -0.018
  398    HA   ASP  53           HA       ASP  53  -9.337  10.183   1.766
  399   1HB   ASP  53          2HB       ASP  53  -7.526   8.910   0.288
  400   2HB   ASP  53          1HB       ASP  53  -7.683  10.353  -0.718
  401    H    GLY  54           H        GLY  54 -10.418  10.338  -1.556
  402   1HA   GLY  54          2HA       GLY  54 -10.567  13.264  -1.452
  403   2HA   GLY  54          1HA       GLY  54 -10.760  12.273  -2.890
  404    H    LEU  55           H        LEU  55 -12.764  10.563  -2.366
  405    HA   LEU  55           HA       LEU  55 -15.033  12.304  -2.302
  406   1HB   LEU  55          2HB       LEU  55 -15.204   9.328  -2.315
  407   2HB   LEU  55          1HB       LEU  55 -16.321  10.503  -2.971
  408    HG   LEU  55           HG       LEU  55 -13.593   9.875  -4.093
  409   1HD1  LEU  55          1HD1      LEU  55 -14.990   9.197  -6.087
  410   2HD1  LEU  55          2HD1      LEU  55 -16.380   9.220  -5.003
  411   3HD1  LEU  55          3HD1      LEU  55 -15.040   8.116  -4.696
  412   1HD2  LEU  55          1HD2      LEU  55 -15.114  12.242  -4.273
  413   2HD2  LEU  55          2HD2      LEU  55 -15.249  11.418  -5.826
  414   3HD2  LEU  55          3HD2      LEU  55 -13.658  11.808  -5.170
  415    H    GLU  56           H        GLU  56 -14.434   9.372  -0.333
  416    HA   GLU  56           HA       GLU  56 -16.227  10.438   1.679
  417   1HB   GLU  56          2HB       GLU  56 -16.086   7.983   1.285
  418   2HB   GLU  56          1HB       GLU  56 -14.430   8.001   1.889
  419   1HG   GLU  56          2HG       GLU  56 -15.570   9.161   3.966
  420   2HG   GLU  56          1HG       GLU  56 -16.994   8.336   3.351
  421    H    TYR  57           H        TYR  57 -14.331  12.330   1.428
  422    HA   TYR  57           HA       TYR  57 -11.915  12.110   2.724
  423   1HB   TYR  57          2HB       TYR  57 -12.573  14.093   1.456
  424   2HB   TYR  57          1HB       TYR  57 -13.798  14.486   2.660
  425    HD1  TYR  57           1HD      TYR  57 -10.302  13.356   3.221
  426    HD2  TYR  57           2HD      TYR  57 -13.091  16.555   3.482
  427    HE1  TYR  57           1HE      TYR  57  -8.648  14.684   4.459
  428    HE2  TYR  57           2HE      TYR  57 -11.445  17.897   4.721
  429    HH   TYR  57           HH       TYR  57  -9.222  17.087   6.297
  Start of MODEL   13
    1   1H    GLY   1          1HT       GLY   1 -13.121   9.785  10.555
    2   2H    GLY   1          2HT       GLY   1 -14.131   8.480  10.921
    3   3H    GLY   1          3HT       GLY   1 -13.228   9.218  12.145
    4   1HA   GLY   1          1HA       GLY   1 -15.713   9.779  11.956
    5   2HA   GLY   1          2HA       GLY   1 -14.560  11.076  12.238
    6    H    SER   2           H        SER   2 -15.333   9.299   9.264
    7    HA   SER   2           HA       SER   2 -16.848  11.410   8.114
    8   1HB   SER   2          2HB       SER   2 -13.991  11.096   7.158
    9   2HB   SER   2          1HB       SER   2 -15.227  12.055   6.347
   10    HG   SER   2           HG       SER   2 -14.811  13.602   7.689
   11    H    GLN   3           H        GLN   3 -18.004  10.676   6.424
   12    HA   GLN   3           HA       GLN   3 -17.108   8.527   4.744
   13   1HB   GLN   3          2HB       GLN   3 -19.462   8.048   6.582
   14   2HB   GLN   3          1HB       GLN   3 -18.943   6.980   5.288
   15   1HG   GLN   3          2HG       GLN   3 -16.810   6.636   6.460
   16   2HG   GLN   3          1HG       GLN   3 -17.388   7.658   7.773
   17   1HE2  GLN   3          1HE2      GLN   3 -16.960   4.566   6.871
   18   2HE2  GLN   3          2HE2      GLN   3 -18.172   3.797   7.832
   19    H    VAL   4           H        VAL   4 -17.926   8.858   2.768
   20    HA   VAL   4           HA       VAL   4 -20.085  10.788   2.521
   21    HB   VAL   4           HB       VAL   4 -18.220   9.622   0.434
   22   1HG1  VAL   4          1HG1      VAL   4 -20.689  11.262   0.181
   23   2HG1  VAL   4          2HG1      VAL   4 -19.990  10.085  -0.931
   24   3HG1  VAL   4          3HG1      VAL   4 -19.312  11.711  -0.822
   25   1HG2  VAL   4          1HG2      VAL   4 -18.432  12.289   1.826
   26   2HG2  VAL   4          2HG2      VAL   4 -17.488  12.043   0.359
   27   3HG2  VAL   4          3HG2      VAL   4 -17.076  11.161   1.829
   28    H    PHE   5           H        PHE   5 -19.669   8.390   0.027
   29    HA   PHE   5           HA       PHE   5 -22.364   7.851  -0.211
   30   1HB   PHE   5          2HB       PHE   5 -20.262   7.478  -1.794
   31   2HB   PHE   5          1HB       PHE   5 -20.324   5.859  -1.107
   32    HD1  PHE   5           1HD      PHE   5 -22.992   8.235  -2.169
   33    HD2  PHE   5           2HD      PHE   5 -21.184   4.416  -2.670
   34    HE1  PHE   5           1HE      PHE   5 -24.746   7.621  -3.781
   35    HE2  PHE   5           2HE      PHE   5 -22.934   3.794  -4.282
   36    HZ   PHE   5           HZ       PHE   5 -24.719   5.398  -4.841
   37    H    GLU   6           H        GLU   6 -22.143   4.910  -0.424
   38    HA   GLU   6           HA       GLU   6 -22.571   4.298   2.379
   39   1HB   GLU   6          2HB       GLU   6 -23.822   2.440   1.603
   40   2HB   GLU   6          1HB       GLU   6 -24.225   3.798   0.556
   41   1HG   GLU   6          2HG       GLU   6 -22.598   2.957  -1.090
   42   2HG   GLU   6          1HG       GLU   6 -22.359   1.533  -0.083
   43    H    TYR   7           H        TYR   7 -20.669   3.445  -0.396
   44    HA   TYR   7           HA       TYR   7 -18.687   2.455  -0.672
   45   1HB   TYR   7          2HB       TYR   7 -18.604   3.347   2.094
   46   2HB   TYR   7          1HB       TYR   7 -17.535   1.986   1.773
   47    HD1  TYR   7           1HD      TYR   7 -16.175   2.236  -0.531
   48    HD2  TYR   7           2HD      TYR   7 -17.753   5.460   1.753
   49    HE1  TYR   7           1HE      TYR   7 -14.543   3.735  -1.554
   50    HE2  TYR   7           2HE      TYR   7 -16.140   6.989   0.708
   51    HH   TYR   7           HH       TYR   7 -14.855   7.054  -1.475
   52    H    ALA   8           H        ALA   8 -20.330   0.680  -1.194
   53    HA   ALA   8           HA       ALA   8 -19.519  -1.727   0.263
   54   1HB   ALA   8          1HB       ALA   8 -22.280  -1.252  -0.869
   55   2HB   ALA   8          2HB       ALA   8 -21.865  -1.112   0.840
   56   3HB   ALA   8          3HB       ALA   8 -21.728  -2.670   0.023
   57    H    GLU   9           H        GLU   9 -18.096  -0.845  -1.865
   58    HA   GLU   9           HA       GLU   9 -19.083  -1.616  -4.350
   59   1HB   GLU   9          2HB       GLU   9 -16.367  -1.891  -4.598
   60   2HB   GLU   9          1HB       GLU   9 -17.294  -0.462  -4.965
   61   1HG   GLU   9          2HG       GLU   9 -16.076  -0.994  -2.267
   62   2HG   GLU   9          1HG       GLU   9 -15.231  -0.169  -3.568
   63    H    VAL  10           H        VAL  10 -17.397  -3.234  -1.813
   64    HA   VAL  10           HA       VAL  10 -16.742  -5.379  -1.476
   65    HB   VAL  10           HB       VAL  10 -19.215  -5.378  -1.480
   66   1HG1  VAL  10          1HG1      VAL  10 -19.926  -5.174  -3.670
   67   2HG1  VAL  10          2HG1      VAL  10 -20.226  -6.874  -3.313
   68   3HG1  VAL  10          3HG1      VAL  10 -18.811  -6.409  -4.253
   69   1HG2  VAL  10          1HG2      VAL  10 -19.372  -7.877  -1.437
   70   2HG2  VAL  10          2HG2      VAL  10 -18.037  -7.205  -0.502
   71   3HG2  VAL  10          3HG2      VAL  10 -17.734  -7.923  -2.083
   72    H    ASP  11           H        ASP  11 -15.693  -4.110  -3.726
   73    HA   ASP  11           HA       ASP  11 -14.034  -5.848  -4.893
   74   1HB   ASP  11          2HB       ASP  11 -16.705  -6.105  -6.108
   75   2HB   ASP  11          1HB       ASP  11 -15.377  -5.985  -7.256
   76    H    GLU  12           H        GLU  12 -14.755  -2.833  -4.489
   77    HA   GLU  12           HA       GLU  12 -13.368  -1.883  -6.885
   78   1HB   GLU  12          2HB       GLU  12 -16.046  -1.838  -6.915
   79   2HB   GLU  12          1HB       GLU  12 -15.726  -0.344  -6.034
   80   1HG   GLU  12          2HG       GLU  12 -14.328   0.441  -7.875
   81   2HG   GLU  12          1HG       GLU  12 -14.666  -1.054  -8.745
   82    H    ILE  13           H        ILE  13 -12.359  -1.972  -4.412
   83    HA   ILE  13           HA       ILE  13 -11.413  -0.903  -2.644
   84    HB   ILE  13           HB       ILE  13 -10.434   1.322  -3.136
   85   1HG1  ILE  13          2HG1      ILE  13 -11.893   1.098  -5.781
   86   2HG1  ILE  13          1HG1      ILE  13 -12.341   2.195  -4.480
   87   1HG2  ILE  13          1HG2      ILE  13  -9.977  -0.192  -5.644
   88   2HG2  ILE  13          2HG2      ILE  13  -9.679  -1.033  -4.123
   89   3HG2  ILE  13          3HG2      ILE  13  -8.820   0.463  -4.487
   90   1HD1  ILE  13          1HD1      ILE  13 -10.220   3.346  -4.712
   91   2HD1  ILE  13          2HD1      ILE  13 -11.092   3.315  -6.245
   92   3HD1  ILE  13          3HD1      ILE  13  -9.737   2.219  -5.978
   93    H    VAL  14           H        VAL  14 -12.081  -0.133  -0.839
   94    HA   VAL  14           HA       VAL  14 -14.338   1.738  -0.791
   95    HB   VAL  14           HB       VAL  14 -13.907  -0.774   0.576
   96   1HG1  VAL  14          1HG1      VAL  14 -13.200   0.665   2.476
   97   2HG1  VAL  14          2HG1      VAL  14 -14.690  -0.221   2.803
   98   3HG1  VAL  14          3HG1      VAL  14 -14.755   1.491   2.384
   99   1HG2  VAL  14          1HG2      VAL  14 -16.193  -0.873   0.703
  100   2HG2  VAL  14          2HG2      VAL  14 -15.899   0.117  -0.719
  101   3HG2  VAL  14          3HG2      VAL  14 -16.361   0.876   0.796
  102    H    GLU  15           H        GLU  15 -11.121   0.939   0.421
  103    HA   GLU  15           HA       GLU  15 -11.044   3.680   1.430
  104   1HB   GLU  15          2HB       GLU  15 -10.984   1.269   3.118
  105   2HB   GLU  15          1HB       GLU  15  -9.765   2.486   3.498
  106   1HG   GLU  15          2HG       GLU  15 -11.522   4.195   3.644
  107   2HG   GLU  15          1HG       GLU  15 -12.732   2.949   3.327
  108    H    LYS  16           H        LYS  16  -8.732   3.880   2.677
  109    HA   LYS  16           HA       LYS  16  -6.507   2.616   1.415
  110   1HB   LYS  16          2HB       LYS  16  -5.772   4.223  -0.038
  111   2HB   LYS  16          1HB       LYS  16  -7.507   4.287  -0.315
  112   1HG   LYS  16          2HG       LYS  16  -5.796   6.233   1.223
  113   2HG   LYS  16          1HG       LYS  16  -6.743   6.538  -0.226
  114   1HD   LYS  16          2HD       LYS  16  -8.745   6.549   0.918
  115   2HD   LYS  16          1HD       LYS  16  -8.089   5.663   2.293
  116   1HE   LYS  16          2HE       LYS  16  -6.685   7.630   2.833
  117   2HE   LYS  16          1HE       LYS  16  -7.458   8.507   1.515
  118   1HZ   LYS  16          1HZ       LYS  16  -9.603   8.141   2.670
  119   2HZ   LYS  16          2HZ       LYS  16  -8.521   9.091   3.554
  120   3HZ   LYS  16          3HZ       LYS  16  -8.759   7.471   3.973
  121    H    ARG  17           H        ARG  17  -4.402   3.991   1.940
  122    HA   ARG  17           HA       ARG  17  -4.351   6.011   3.761
  123   1HB   ARG  17          2HB       ARG  17  -5.483   4.743   5.431
  124   2HB   ARG  17          1HB       ARG  17  -4.563   3.291   5.069
  125   1HG   ARG  17          2HG       ARG  17  -2.537   4.496   5.921
  126   2HG   ARG  17          1HG       ARG  17  -3.630   5.761   6.490
  127   1HD   ARG  17          2HD       ARG  17  -3.857   2.853   7.222
  128   2HD   ARG  17          1HD       ARG  17  -3.046   4.062   8.219
  129    HE   ARG  17           HE       ARG  17  -5.833   3.584   8.074
  130   1HH1  ARG  17          1HH1      ARG  17  -3.499   6.152   8.382
  131   2HH1  ARG  17          2HH1      ARG  17  -4.601   7.233   9.169
  132   1HH2  ARG  17          1HH2      ARG  17  -7.288   4.997   9.114
  133   2HH2  ARG  17          2HH2      ARG  17  -6.754   6.575   9.587
  134    H    GLY  18           H        GLY  18  -2.343   6.690   3.322
  135   1HA   GLY  18          2HA       GLY  18  -0.430   4.793   2.346
  136   2HA   GLY  18          1HA       GLY  18  -0.199   6.529   2.446
  137    H    LYS  19           H        LYS  19  -0.749   3.905   4.757
  138    HA   LYS  19           HA       LYS  19   0.721   4.954   6.866
  139   1HB   LYS  19          2HB       LYS  19  -0.747   3.020   7.126
  140   2HB   LYS  19          1HB       LYS  19   0.309   2.055   6.104
  141   1HG   LYS  19          2HG       LYS  19   2.094   2.250   7.763
  142   2HG   LYS  19          1HG       LYS  19   1.027   3.212   8.791
  143   1HD   LYS  19          2HD       LYS  19  -0.518   1.329   8.959
  144   2HD   LYS  19          1HD       LYS  19   0.523   0.370   7.907
  145   1HE   LYS  19          2HE       LYS  19   1.274   1.479  10.610
  146   2HE   LYS  19          1HE       LYS  19   0.860  -0.199  10.262
  147   1HZ   LYS  19          1HZ       LYS  19   3.262   0.171  10.369
  148   2HZ   LYS  19          2HZ       LYS  19   3.158   1.264   9.081
  149   3HZ   LYS  19          3HZ       LYS  19   2.781  -0.366   8.837
  150    H    GLY  20           H        GLY  20   2.856   4.190   7.691
  151   1HA   GLY  20          2HA       GLY  20   4.957   4.826   6.108
  152   2HA   GLY  20          1HA       GLY  20   5.097   3.684   7.433
  153    H    LYS  21           H        LYS  21   3.508   1.602   6.322
  154    HA   LYS  21           HA       LYS  21   4.996   0.873   3.895
  155   1HB   LYS  21          2HB       LYS  21   6.093  -0.127   5.882
  156   2HB   LYS  21          1HB       LYS  21   4.592  -0.955   6.271
  157   1HG   LYS  21          2HG       LYS  21   4.734  -2.107   4.069
  158   2HG   LYS  21          1HG       LYS  21   6.316  -1.365   3.837
  159   1HD   LYS  21          2HD       LYS  21   5.563  -3.187   6.122
  160   2HD   LYS  21          1HD       LYS  21   6.460  -3.677   4.686
  161   1HE   LYS  21          2HE       LYS  21   8.071  -3.310   6.373
  162   2HE   LYS  21          1HE       LYS  21   8.163  -1.917   5.299
  163   1HZ   LYS  21          1HZ       LYS  21   7.845  -1.863   8.018
  164   2HZ   LYS  21          2HZ       LYS  21   6.308  -1.490   7.420
  165   3HZ   LYS  21          3HZ       LYS  21   7.643  -0.560   6.958
  166    H    ASP  22           H        ASP  22   2.601   1.733   3.415
  167    HA   ASP  22           HA       ASP  22   1.196  -0.198   2.141
  168   1HB   ASP  22          2HB       ASP  22   0.542  -0.140   5.025
  169   2HB   ASP  22          1HB       ASP  22  -0.845  -0.100   3.943
  170    H    VAL  23           H        VAL  23   0.211   0.947   0.732
  171    HA   VAL  23           HA       VAL  23  -1.502   3.195   1.434
  172    HB   VAL  23           HB       VAL  23   0.705   4.170   1.021
  173   1HG1  VAL  23          1HG1      VAL  23   1.238   2.330  -0.734
  174   2HG1  VAL  23          2HG1      VAL  23   1.940   3.939  -0.898
  175   3HG1  VAL  23          3HG1      VAL  23   0.535   3.488  -1.861
  176   1HG2  VAL  23          1HG2      VAL  23  -1.444   4.807  -0.968
  177   2HG2  VAL  23          2HG2      VAL  23  -0.013   5.810  -0.736
  178   3HG2  VAL  23          3HG2      VAL  23  -1.150   5.578   0.589
  179    H    GLU  24           H        GLU  24  -2.468   0.942   0.727
  180    HA   GLU  24           HA       GLU  24  -2.900   1.005  -2.163
  181   1HB   GLU  24          2HB       GLU  24  -1.859  -0.984  -1.074
  182   2HB   GLU  24          1HB       GLU  24  -3.392  -1.317  -0.337
  183   1HG   GLU  24          2HG       GLU  24  -3.337  -0.968  -3.255
  184   2HG   GLU  24          1HG       GLU  24  -2.659  -2.419  -2.555
  185    H    TYR  25           H        TYR  25  -4.956   0.026  -2.850
  186    HA   TYR  25           HA       TYR  25  -7.165   1.116  -1.287
  187   1HB   TYR  25          2HB       TYR  25  -6.831   1.313  -4.306
  188   2HB   TYR  25          1HB       TYR  25  -8.049   2.119  -3.294
  189    HD1  TYR  25           1HD      TYR  25  -4.372   1.819  -3.781
  190    HD2  TYR  25           2HD      TYR  25  -7.583   4.186  -2.335
  191    HE1  TYR  25           1HE      TYR  25  -2.787   3.582  -3.174
  192    HE2  TYR  25           2HE      TYR  25  -5.978   5.937  -1.749
  193    HH   TYR  25           HH       TYR  25  -3.286   5.893  -1.148
  194    H    LEU  26           H        LEU  26  -8.028  -0.597  -0.528
  195    HA   LEU  26           HA       LEU  26  -9.649  -2.298  -2.009
  196   1HB   LEU  26          2HB       LEU  26  -6.935  -2.999  -1.951
  197   2HB   LEU  26          1HB       LEU  26  -7.810  -4.199  -1.034
  198    HG   LEU  26           HG       LEU  26  -8.801  -3.461  -3.744
  199   1HD1  LEU  26          1HD1      LEU  26  -7.244  -5.490  -4.434
  200   2HD1  LEU  26          2HD1      LEU  26  -6.233  -4.823  -3.154
  201   3HD1  LEU  26          3HD1      LEU  26  -6.690  -3.819  -4.528
  202   1HD2  LEU  26          1HD2      LEU  26  -8.572  -6.093  -2.324
  203   2HD2  LEU  26          2HD2      LEU  26  -9.515  -5.744  -3.772
  204   3HD2  LEU  26          3HD2      LEU  26  -9.981  -5.040  -2.221
  205    H    VAL  27           H        VAL  27 -11.032  -1.659  -0.381
  206    HA   VAL  27           HA       VAL  27 -10.694  -3.114   2.091
  207    HB   VAL  27           HB       VAL  27 -11.401  -0.214   2.024
  208   1HG1  VAL  27          1HG1      VAL  27 -12.433  -0.973   3.941
  209   2HG1  VAL  27          2HG1      VAL  27 -10.837  -0.559   4.560
  210   3HG1  VAL  27          3HG1      VAL  27 -11.233  -2.238   4.210
  211   1HG2  VAL  27          1HG2      VAL  27  -8.847  -1.469   3.016
  212   2HG2  VAL  27          2HG2      VAL  27  -9.234   0.250   2.966
  213   3HG2  VAL  27          3HG2      VAL  27  -9.027  -0.650   1.464
  214    H    ARG  28           H        ARG  28 -12.344  -3.529  -0.124
  215    HA   ARG  28           HA       ARG  28 -15.015  -2.892   0.899
  216   1HB   ARG  28          2HB       ARG  28 -15.416  -3.287  -1.760
  217   2HB   ARG  28          1HB       ARG  28 -15.185  -1.753  -0.970
  218   1HG   ARG  28          2HG       ARG  28 -13.901  -1.971  -3.008
  219   2HG   ARG  28          1HG       ARG  28 -12.872  -1.681  -1.651
  220   1HD   ARG  28          2HD       ARG  28 -12.270  -4.076  -1.617
  221   2HD   ARG  28          1HD       ARG  28 -13.360  -4.342  -2.942
  222    HE   ARG  28           HE       ARG  28 -11.052  -2.594  -3.292
  223   1HH1  ARG  28          1HH1      ARG  28 -12.453  -5.727  -3.847
  224   2HH1  ARG  28          2HH1      ARG  28 -11.594  -5.993  -5.322
  225   1HH2  ARG  28          1HH2      ARG  28  -9.911  -2.939  -5.238
  226   2HH2  ARG  28          2HH2      ARG  28 -10.139  -4.422  -6.102
  227    H    TRP  29           H        TRP  29 -13.528  -5.197  -1.226
  228    HA   TRP  29           HA       TRP  29 -15.530  -6.841  -1.699
  229   1HB   TRP  29          2HB       TRP  29 -13.784  -8.549  -2.239
  230   2HB   TRP  29          1HB       TRP  29 -13.645  -6.992  -3.030
  231    HD1  TRP  29           HD       TRP  29 -11.194  -8.715  -3.157
  232    HE1  TRP  29           1HE      TRP  29  -8.997  -8.160  -1.944
  233    HE3  TRP  29           3HE      TRP  29 -12.937  -5.599   0.557
  234    HZ2  TRP  29           2HZ      TRP  29  -8.100  -6.623   0.205
  235    HZ3  TRP  29           3HZ      TRP  29 -11.372  -4.677   2.125
  236    HH2  TRP  29           HH       TRP  29  -8.988  -5.152   1.955
  237    H    LYS  30           H        LYS  30 -13.041  -8.208   0.261
  238    HA   LYS  30           HA       LYS  30 -14.974  -9.915   1.543
  239   1HB   LYS  30          2HB       LYS  30 -12.810 -10.737   0.576
  240   2HB   LYS  30          1HB       LYS  30 -11.976  -9.908   1.880
  241   1HG   LYS  30          2HG       LYS  30 -14.056 -12.029   2.349
  242   2HG   LYS  30          1HG       LYS  30 -12.335 -12.380   2.181
  243   1HD   LYS  30          2HD       LYS  30 -11.957 -10.734   4.073
  244   2HD   LYS  30          1HD       LYS  30 -13.701 -10.762   4.319
  245   1HE   LYS  30          2HE       LYS  30 -13.646 -13.149   4.705
  246   2HE   LYS  30          1HE       LYS  30 -11.912 -13.182   4.386
  247   1HZ   LYS  30          1HZ       LYS  30 -11.537 -12.689   6.496
  248   2HZ   LYS  30          2HZ       LYS  30 -13.198 -12.720   6.813
  249   3HZ   LYS  30          3HZ       LYS  30 -12.448 -11.267   6.374
  250    H    ASP  31           H        ASP  31 -12.408  -7.734   2.630
  251    HA   ASP  31           HA       ASP  31 -12.274  -7.830   5.228
  252   1HB   ASP  31          2HB       ASP  31 -11.894  -5.486   5.366
  253   2HB   ASP  31          1HB       ASP  31 -11.376  -5.998   3.760
  254    H    GLY  32           H        GLY  32 -13.256  -7.164   7.097
  255   1HA   GLY  32          2HA       GLY  32 -15.945  -6.088   7.079
  256   2HA   GLY  32          1HA       GLY  32 -15.812  -7.746   7.663
  257    H    GLY  33           H        GLY  33 -13.666  -7.897   9.121
  258   1HA   GLY  33          2HA       GLY  33 -14.194  -6.094  11.358
  259   2HA   GLY  33          1HA       GLY  33 -13.223  -7.565  11.410
  260    H    ASP  34           H        ASP  34 -11.596  -7.047   9.186
  261    HA   ASP  34           HA       ASP  34 -10.110  -4.621   9.921
  262   1HB   ASP  34          2HB       ASP  34  -8.861  -7.334   9.407
  263   2HB   ASP  34          1HB       ASP  34  -7.994  -5.845   9.758
  264    H    CYS  35           H        CYS  35  -8.718  -3.822   8.220
  265    HA   CYS  35           HA       CYS  35  -9.881  -4.234   5.604
  266   1HB   CYS  35          2HB       CYS  35  -7.596  -2.429   6.414
  267   2HB   CYS  35          1HB       CYS  35  -8.518  -2.344   4.914
  268    HG   CYS  35           HG       CYS  35 -10.874  -2.081   6.931
  269    H    GLU  36           H        GLU  36  -8.913  -5.180   3.840
  270    HA   GLU  36           HA       GLU  36  -6.343  -6.540   4.332
  271   1HB   GLU  36          2HB       GLU  36  -8.162  -7.366   2.138
  272   2HB   GLU  36          1HB       GLU  36  -7.007  -8.331   3.033
  273   1HG   GLU  36          2HG       GLU  36  -9.651  -7.349   4.080
  274   2HG   GLU  36          1HG       GLU  36  -9.302  -8.981   3.507
  275    H    TRP  37           H        TRP  37  -7.033  -3.803   3.131
  276    HA   TRP  37           HA       TRP  37  -6.540  -3.826   0.381
  277   1HB   TRP  37          2HB       TRP  37  -6.372  -1.551   0.599
  278   2HB   TRP  37          1HB       TRP  37  -7.206  -1.933   2.082
  279    HD1  TRP  37           HD       TRP  37  -4.112  -0.313   0.794
  280    HE1  TRP  37           1HE      TRP  37  -2.656   0.495   2.764
  281    HE3  TRP  37           3HE      TRP  37  -6.535  -2.657   4.602
  282    HZ2  TRP  37           2HZ      TRP  37  -2.580   0.148   5.566
  283    HZ3  TRP  37           3HZ      TRP  37  -5.718  -2.386   6.893
  284    HH2  TRP  37           HH       TRP  37  -3.773  -1.007   7.362
  285    H    VAL  38           H        VAL  38  -4.571  -4.098  -0.790
  286    HA   VAL  38           HA       VAL  38  -2.306  -4.978   0.799
  287    HB   VAL  38           HB       VAL  38  -3.060  -6.480  -0.897
  288   1HG1  VAL  38          1HG1      VAL  38  -3.377  -4.221  -2.497
  289   2HG1  VAL  38          2HG1      VAL  38  -3.726  -5.896  -2.910
  290   3HG1  VAL  38          3HG1      VAL  38  -2.150  -5.207  -3.290
  291   1HG2  VAL  38          1HG2      VAL  38  -0.362  -5.539  -0.702
  292   2HG2  VAL  38          2HG2      VAL  38  -0.674  -6.162  -2.322
  293   3HG2  VAL  38          3HG2      VAL  38  -0.966  -7.183  -0.914
  294    H    LYS  39           H        LYS  39  -0.995  -4.007  -2.172
  295    HA   LYS  39           HA       LYS  39   0.041  -1.508  -1.014
  296   1HB   LYS  39          2HB       LYS  39   1.725  -3.324  -1.343
  297   2HB   LYS  39          1HB       LYS  39   1.357  -3.319  -3.061
  298   1HG   LYS  39          2HG       LYS  39   2.158  -1.052  -3.267
  299   2HG   LYS  39          1HG       LYS  39   2.436  -0.965  -1.527
  300   1HD   LYS  39          2HD       LYS  39   3.818  -2.842  -3.445
  301   2HD   LYS  39          1HD       LYS  39   4.519  -1.380  -2.751
  302   1HE   LYS  39          2HE       LYS  39   4.256  -2.343  -0.504
  303   2HE   LYS  39          1HE       LYS  39   3.596  -3.812  -1.221
  304   1HZ   LYS  39          1HZ       LYS  39   5.867  -4.212  -0.788
  305   2HZ   LYS  39          2HZ       LYS  39   6.349  -2.752  -1.492
  306   3HZ   LYS  39          3HZ       LYS  39   5.744  -3.999  -2.462
  307    H    GLY  40           H        GLY  40  -0.618   0.257  -1.948
  308   1HA   GLY  40          2HA       GLY  40  -2.270   0.324  -4.234
  309   2HA   GLY  40          1HA       GLY  40  -1.636   1.704  -3.387
  310    H    VAL  41           H        VAL  41   1.104   1.338  -3.731
  311    HA   VAL  41           HA       VAL  41   1.629   2.695  -6.027
  312    HB   VAL  41           HB       VAL  41   3.309   2.229  -4.264
  313   1HG1  VAL  41          1HG1      VAL  41   2.842  -0.487  -5.062
  314   2HG1  VAL  41          2HG1      VAL  41   3.742   0.135  -3.682
  315   3HG1  VAL  41          3HG1      VAL  41   4.552  -0.094  -5.231
  316   1HG2  VAL  41          1HG2      VAL  41   4.609   3.123  -5.832
  317   2HG2  VAL  41          2HG2      VAL  41   3.763   2.271  -7.123
  318   3HG2  VAL  41          3HG2      VAL  41   5.084   1.481  -6.263
  319    H    HIS  42           H        HIS  42   1.021  -0.712  -5.722
  320    HA   HIS  42           HA       HIS  42   1.562  -1.164  -8.556
  321   1HB   HIS  42          2HB       HIS  42   0.787  -3.079  -6.342
  322   2HB   HIS  42          1HB       HIS  42   1.074  -3.547  -8.013
  323    HD1  HIS  42           1HD      HIS  42   3.652  -2.395  -8.762
  324    HD2  HIS  42           2HD      HIS  42   2.953  -3.769  -4.906
  325    HE1  HIS  42           1HE      HIS  42   5.926  -2.854  -7.791
  326    HE2  HIS  42           2HE      HIS  42   5.478  -3.707  -5.462
  327    H    VAL  43           H        VAL  43  -0.999  -1.091  -6.161
  328    HA   VAL  43           HA       VAL  43  -3.060  -1.740  -8.099
  329    HB   VAL  43           HB       VAL  43  -3.370  -0.945  -5.176
  330   1HG1  VAL  43          1HG1      VAL  43  -5.505  -2.519  -5.882
  331   2HG1  VAL  43          2HG1      VAL  43  -5.256  -1.548  -7.333
  332   3HG1  VAL  43          3HG1      VAL  43  -5.520  -0.758  -5.778
  333   1HG2  VAL  43          1HG2      VAL  43  -3.729  -3.742  -6.107
  334   2HG2  VAL  43          2HG2      VAL  43  -3.146  -3.122  -4.563
  335   3HG2  VAL  43          3HG2      VAL  43  -2.077  -3.142  -5.966
  336    H    ALA  44           H        ALA  44  -1.673   0.624  -8.797
  337    HA   ALA  44           HA       ALA  44  -1.988   2.824  -9.342
  338   1HB   ALA  44          1HB       ALA  44  -3.975   3.253 -10.371
  339   2HB   ALA  44          2HB       ALA  44  -4.930   2.604  -9.038
  340   3HB   ALA  44          3HB       ALA  44  -4.159   1.509 -10.184
  341    H    GLU  45           H        GLU  45  -1.045   3.190  -7.211
  342    HA   GLU  45           HA       GLU  45  -2.500   3.652  -4.942
  343   1HB   GLU  45          2HB       GLU  45  -0.035   3.481  -5.024
  344   2HB   GLU  45          1HB       GLU  45   0.022   5.096  -5.715
  345   1HG   GLU  45          2HG       GLU  45  -1.185   5.881  -3.633
  346   2HG   GLU  45          1HG       GLU  45  -0.852   4.288  -2.964
  347    H    ASP  46           H        ASP  46  -1.395   6.179  -7.197
  348    HA   ASP  46           HA       ASP  46  -3.026   8.115  -5.809
  349   1HB   ASP  46          2HB       ASP  46  -1.344   8.383  -8.309
  350   2HB   ASP  46          1HB       ASP  46  -2.134   9.719  -7.474
  351    H    VAL  47           H        VAL  47  -4.173   5.780  -7.535
  352    HA   VAL  47           HA       VAL  47  -5.867   7.459  -9.267
  353    HB   VAL  47           HB       VAL  47  -5.466   4.457  -9.319
  354   1HG1  VAL  47          1HG1      VAL  47  -6.544   5.017 -11.700
  355   2HG1  VAL  47          2HG1      VAL  47  -7.289   6.302 -10.750
  356   3HG1  VAL  47          3HG1      VAL  47  -7.513   4.617 -10.283
  357   1HG2  VAL  47          1HG2      VAL  47  -4.502   5.261 -11.674
  358   2HG2  VAL  47          2HG2      VAL  47  -3.495   5.135 -10.232
  359   3HG2  VAL  47          3HG2      VAL  47  -4.132   6.703 -10.727
  360    H    ALA  48           H        ALA  48  -5.909   4.859  -6.890
  361    HA   ALA  48           HA       ALA  48  -8.795   4.960  -6.664
  362   1HB   ALA  48          1HB       ALA  48  -6.640   3.294  -5.421
  363   2HB   ALA  48          2HB       ALA  48  -7.955   2.798  -6.485
  364   3HB   ALA  48          3HB       ALA  48  -8.295   3.253  -4.817
  365    H    LYS  49           H        LYS  49  -6.081   6.444  -5.162
  366    HA   LYS  49           HA       LYS  49  -7.199   6.829  -2.604
  367   1HB   LYS  49          2HB       LYS  49  -5.330   8.129  -2.100
  368   2HB   LYS  49          1HB       LYS  49  -4.739   7.045  -3.345
  369   1HG   LYS  49          2HG       LYS  49  -5.010   8.805  -5.015
  370   2HG   LYS  49          1HG       LYS  49  -5.559   9.905  -3.749
  371   1HD   LYS  49          2HD       LYS  49  -3.409   9.648  -2.602
  372   2HD   LYS  49          1HD       LYS  49  -2.861   8.559  -3.876
  373   1HE   LYS  49          2HE       LYS  49  -1.992  10.817  -4.204
  374   2HE   LYS  49          1HE       LYS  49  -3.076  10.351  -5.515
  375   1HZ   LYS  49          1HZ       LYS  49  -3.241  12.609  -3.930
  376   2HZ   LYS  49          2HZ       LYS  49  -4.528  11.623  -3.446
  377   3HZ   LYS  49          3HZ       LYS  49  -4.371  12.073  -5.070
  378    H    ASP  50           H        ASP  50  -6.914   9.162  -5.263
  379    HA   ASP  50           HA       ASP  50  -8.203  11.212  -3.989
  380   1HB   ASP  50          2HB       ASP  50  -8.080  10.462  -6.889
  381   2HB   ASP  50          1HB       ASP  50  -8.868  11.943  -6.354
  382    H    TYR  51           H        TYR  51  -9.520   8.314  -5.228
  383    HA   TYR  51           HA       TYR  51 -12.179   9.055  -5.618
  384   1HB   TYR  51          2HB       TYR  51 -11.336   6.923  -6.376
  385   2HB   TYR  51          1HB       TYR  51 -11.011   6.473  -4.708
  386    HD1  TYR  51           1HD      TYR  51 -13.443   6.476  -7.336
  387    HD2  TYR  51           2HD      TYR  51 -12.996   6.264  -3.097
  388    HE1  TYR  51           1HE      TYR  51 -15.729   5.590  -7.143
  389    HE2  TYR  51           2HE      TYR  51 -15.295   5.389  -2.905
  390    HH   TYR  51           HH       TYR  51 -17.491   5.367  -5.550
  391    H    GLU  52           H        GLU  52 -10.718   7.439  -2.839
  392    HA   GLU  52           HA       GLU  52 -13.070   8.052  -1.250
  393   1HB   GLU  52          2HB       GLU  52 -12.284   5.756  -1.337
  394   2HB   GLU  52          1HB       GLU  52 -10.750   6.260  -0.678
  395   1HG   GLU  52          2HG       GLU  52 -13.329   6.683   0.782
  396   2HG   GLU  52          1HG       GLU  52 -12.400   5.193   0.917
  397    H    ASP  53           H        ASP  53  -9.567   8.408  -1.004
  398    HA   ASP  53           HA       ASP  53  -9.112   9.493   1.377
  399   1HB   ASP  53          2HB       ASP  53  -7.292  10.762   0.464
  400   2HB   ASP  53          1HB       ASP  53  -7.456   9.280  -0.477
  401    H    GLY  54           H        GLY  54 -10.917  11.128  -1.149
  402   1HA   GLY  54          2HA       GLY  54 -11.078  13.611   0.347
  403   2HA   GLY  54          1HA       GLY  54 -11.859  13.262  -1.191
  404    H    LEU  55           H        LEU  55 -13.260  10.972  -0.577
  405    HA   LEU  55           HA       LEU  55 -15.559  12.009   0.712
  406   1HB   LEU  55          2HB       LEU  55 -14.770   9.262  -0.216
  407   2HB   LEU  55          1HB       LEU  55 -16.300   9.561   0.584
  408    HG   LEU  55           HG       LEU  55 -17.047  10.985  -1.196
  409   1HD1  LEU  55          1HD1      LEU  55 -15.107  12.209  -1.769
  410   2HD1  LEU  55          2HD1      LEU  55 -15.573  11.311  -3.213
  411   3HD1  LEU  55          3HD1      LEU  55 -14.232  10.747  -2.220
  412   1HD2  LEU  55          1HD2      LEU  55 -15.758   8.804  -2.751
  413   2HD2  LEU  55          2HD2      LEU  55 -17.425   9.377  -2.774
  414   3HD2  LEU  55          3HD2      LEU  55 -16.859   8.369  -1.442
  415    H    GLU  56           H        GLU  56 -14.109   8.939   1.630
  416    HA   GLU  56           HA       GLU  56 -14.793   9.331   4.388
  417   1HB   GLU  56          2HB       GLU  56 -13.741   7.109   2.736
  418   2HB   GLU  56          1HB       GLU  56 -13.299   7.087   4.437
  419   1HG   GLU  56          2HG       GLU  56 -15.704   7.249   5.000
  420   2HG   GLU  56          1HG       GLU  56 -16.075   7.103   3.282
  421    H    TYR  57           H        TYR  57 -13.246  11.376   4.096
  422    HA   TYR  57           HA       TYR  57 -10.564  11.432   4.024
  423   1HB   TYR  57          2HB       TYR  57 -12.397  12.795   5.982
  424   2HB   TYR  57          1HB       TYR  57 -10.676  13.160   5.910
  425    HD1  TYR  57           1HD      TYR  57  -9.830  13.738   3.434
  426    HD2  TYR  57           2HD      TYR  57 -13.832  14.151   4.820
  427    HE1  TYR  57           1HE      TYR  57 -10.260  15.410   1.682
  428    HE2  TYR  57           2HE      TYR  57 -14.274  15.819   3.068
  429    HH   TYR  57           HH       TYR  57 -11.734  17.147   1.114
  Start of MODEL   14
    1   1H    GLY   1          1HT       GLY   1 -24.596   8.900   9.227
    2   2H    GLY   1          2HT       GLY   1 -24.027   7.572   8.347
    3   3H    GLY   1          3HT       GLY   1 -23.535   9.136   7.930
    4   1HA   GLY   1          1HA       GLY   1 -22.195   9.374   9.810
    5   2HA   GLY   1          2HA       GLY   1 -22.962   8.002  10.597
    6    H    SER   2           H        SER   2 -20.119   8.811   9.586
    7    HA   SER   2           HA       SER   2 -18.252   7.710   8.898
    8   1HB   SER   2          2HB       SER   2 -19.963   5.239   9.277
    9   2HB   SER   2          1HB       SER   2 -18.207   5.263   9.123
   10    HG   SER   2           HG       SER   2 -19.709   5.648  11.310
   11    H    GLN   3           H        GLN   3 -17.351   7.377   6.943
   12    HA   GLN   3           HA       GLN   3 -17.156   7.072   4.692
   13   1HB   GLN   3          2HB       GLN   3 -19.500   5.220   5.146
   14   2HB   GLN   3          1HB       GLN   3 -18.610   5.338   3.637
   15   1HG   GLN   3          2HG       GLN   3 -17.818   3.436   4.841
   16   2HG   GLN   3          1HG       GLN   3 -16.556   4.667   4.858
   17   1HE2  GLN   3          1HE2      GLN   3 -15.609   4.959   6.735
   18   2HE2  GLN   3          2HE2      GLN   3 -16.298   4.651   8.289
   19    H    VAL   4           H        VAL   4 -17.813   8.196   2.883
   20    HA   VAL   4           HA       VAL   4 -20.005   9.997   3.243
   21    HB   VAL   4           HB       VAL   4 -18.199   9.527   0.845
   22   1HG1  VAL   4          1HG1      VAL   4 -20.377  11.573   1.298
   23   2HG1  VAL   4          2HG1      VAL   4 -20.249  10.407  -0.019
   24   3HG1  VAL   4          3HG1      VAL   4 -19.109  11.750   0.085
   25   1HG2  VAL   4          1HG2      VAL   4 -18.307  11.731   2.906
   26   2HG2  VAL   4          2HG2      VAL   4 -17.199  11.640   1.540
   27   3HG2  VAL   4          3HG2      VAL   4 -17.106  10.442   2.831
   28    H    PHE   5           H        PHE   5 -19.398   7.923   0.422
   29    HA   PHE   5           HA       PHE   5 -22.122   7.782  -0.221
   30   1HB   PHE   5          2HB       PHE   5 -19.904   7.541  -1.663
   31   2HB   PHE   5          1HB       PHE   5 -20.117   5.835  -1.281
   32    HD1  PHE   5           1HD      PHE   5 -22.679   8.434  -1.992
   33    HD2  PHE   5           2HD      PHE   5 -20.778   4.848  -3.274
   34    HE1  PHE   5           1HE      PHE   5 -24.305   8.230  -3.827
   35    HE2  PHE   5           2HE      PHE   5 -22.400   4.640  -5.111
   36    HZ   PHE   5           HZ       PHE   5 -24.176   6.326  -5.380
   37    H    GLU   6           H        GLU   6 -21.915   4.898  -0.905
   38    HA   GLU   6           HA       GLU   6 -22.922   3.862   1.576
   39   1HB   GLU   6          2HB       GLU   6 -23.823   2.123   0.222
   40   2HB   GLU   6          1HB       GLU   6 -24.061   3.652  -0.618
   41   1HG   GLU   6          2HG       GLU   6 -22.296   3.208  -2.128
   42   2HG   GLU   6          1HG       GLU   6 -21.783   1.799  -1.205
   43    H    TYR   7           H        TYR   7 -20.334   3.381  -0.694
   44    HA   TYR   7           HA       TYR   7 -18.410   2.257  -0.682
   45   1HB   TYR   7          2HB       TYR   7 -18.758   3.162   2.041
   46   2HB   TYR   7          1HB       TYR   7 -17.785   1.695   1.967
   47    HD1  TYR   7           1HD      TYR   7 -16.441   2.114  -0.678
   48    HD2  TYR   7           2HD      TYR   7 -17.167   4.802   2.536
   49    HE1  TYR   7           1HE      TYR   7 -14.478   3.427  -1.342
   50    HE2  TYR   7           2HE      TYR   7 -15.219   6.129   1.875
   51    HH   TYR   7           HH       TYR   7 -13.550   6.357   0.433
   52    H    ALA   8           H        ALA   8 -20.254   0.581  -1.402
   53    HA   ALA   8           HA       ALA   8 -19.611  -1.890   0.044
   54   1HB   ALA   8          1HB       ALA   8 -22.077  -0.865   0.160
   55   2HB   ALA   8          2HB       ALA   8 -21.776  -2.602   0.106
   56   3HB   ALA   8          3HB       ALA   8 -22.218  -1.738  -1.367
   57    H    GLU   9           H        GLU   9 -18.024  -1.088  -1.978
   58    HA   GLU   9           HA       GLU   9 -18.878  -1.944  -4.523
   59   1HB   GLU   9          2HB       GLU   9 -16.141  -2.198  -4.542
   60   2HB   GLU   9          1HB       GLU   9 -17.037  -0.808  -5.070
   61   1HG   GLU   9          2HG       GLU   9 -16.051  -1.170  -2.247
   62   2HG   GLU   9          1HG       GLU   9 -15.112  -0.408  -3.512
   63    H    VAL  10           H        VAL  10 -17.332  -3.395  -1.797
   64    HA   VAL  10           HA       VAL  10 -16.680  -5.505  -1.293
   65    HB   VAL  10           HB       VAL  10 -19.116  -5.525  -1.324
   66   1HG1  VAL  10          1HG1      VAL  10 -19.765  -5.344  -3.553
   67   2HG1  VAL  10          2HG1      VAL  10 -20.157  -7.012  -3.132
   68   3HG1  VAL  10          3HG1      VAL  10 -18.702  -6.656  -4.061
   69   1HG2  VAL  10          1HG2      VAL  10 -17.868  -7.360  -0.351
   70   2HG2  VAL  10          2HG2      VAL  10 -17.766  -8.146  -1.927
   71   3HG2  VAL  10          3HG2      VAL  10 -19.328  -7.969  -1.130
   72    H    ASP  11           H        ASP  11 -15.435  -4.475  -3.475
   73    HA   ASP  11           HA       ASP  11 -13.798  -6.330  -4.464
   74   1HB   ASP  11          2HB       ASP  11 -15.713  -7.600  -5.373
   75   2HB   ASP  11          1HB       ASP  11 -16.142  -6.235  -6.393
   76    H    GLU  12           H        GLU  12 -14.721  -3.228  -4.493
   77    HA   GLU  12           HA       GLU  12 -12.875  -2.454  -6.643
   78   1HB   GLU  12          2HB       GLU  12 -15.628  -1.333  -6.299
   79   2HB   GLU  12          1HB       GLU  12 -14.458  -0.799  -7.496
   80   1HG   GLU  12          2HG       GLU  12 -15.566  -3.593  -7.393
   81   2HG   GLU  12          1HG       GLU  12 -16.269  -2.298  -8.363
   82    H    ILE  13           H        ILE  13 -11.873  -2.112  -4.347
   83    HA   ILE  13           HA       ILE  13 -11.213  -0.958  -2.590
   84    HB   ILE  13           HB       ILE  13 -10.234   1.107  -3.102
   85   1HG1  ILE  13          2HG1      ILE  13 -10.718   2.145  -5.451
   86   2HG1  ILE  13          1HG1      ILE  13 -12.260   1.330  -5.297
   87   1HG2  ILE  13          1HG2      ILE  13 -10.180  -0.238  -5.772
   88   2HG2  ILE  13          2HG2      ILE  13  -9.588  -1.081  -4.343
   89   3HG2  ILE  13          3HG2      ILE  13  -8.845   0.438  -4.843
   90   1HD1  ILE  13          1HD1      ILE  13 -11.356   3.786  -4.120
   91   2HD1  ILE  13          2HD1      ILE  13 -11.911   2.661  -2.881
   92   3HD1  ILE  13          3HD1      ILE  13 -12.983   3.114  -4.206
   93    H    VAL  14           H        VAL  14 -12.032  -0.356  -0.829
   94    HA   VAL  14           HA       VAL  14 -14.311   1.486  -0.820
   95    HB   VAL  14           HB       VAL  14 -14.053  -1.078   0.493
   96   1HG1  VAL  14          1HG1      VAL  14 -14.643   1.268   2.302
   97   2HG1  VAL  14          2HG1      VAL  14 -13.395   0.041   2.518
   98   3HG1  VAL  14          3HG1      VAL  14 -15.096  -0.395   2.676
   99   1HG2  VAL  14          1HG2      VAL  14 -15.942   0.136  -0.834
  100   2HG2  VAL  14          2HG2      VAL  14 -16.446   0.647   0.770
  101   3HG2  VAL  14          3HG2      VAL  14 -16.325  -1.072   0.381
  102    H    GLU  15           H        GLU  15 -11.095   0.748   0.365
  103    HA   GLU  15           HA       GLU  15 -11.220   3.347   1.659
  104   1HB   GLU  15          2HB       GLU  15 -11.372   1.039   3.177
  105   2HB   GLU  15          1HB       GLU  15  -9.660   1.468   3.250
  106   1HG   GLU  15          2HG       GLU  15 -10.217   3.716   4.012
  107   2HG   GLU  15          1HG       GLU  15 -11.931   3.325   3.922
  108    H    LYS  16           H        LYS  16  -8.745   3.351   2.879
  109    HA   LYS  16           HA       LYS  16  -6.551   2.517   1.365
  110   1HB   LYS  16          2HB       LYS  16  -6.008   4.460   0.077
  111   2HB   LYS  16          1HB       LYS  16  -7.648   3.985  -0.325
  112   1HG   LYS  16          2HG       LYS  16  -8.491   5.923   0.328
  113   2HG   LYS  16          1HG       LYS  16  -7.592   5.907   1.844
  114   1HD   LYS  16          2HD       LYS  16  -5.697   6.381  -0.151
  115   2HD   LYS  16          1HD       LYS  16  -7.090   7.374  -0.584
  116   1HE   LYS  16          2HE       LYS  16  -5.574   7.373   2.016
  117   2HE   LYS  16          1HE       LYS  16  -5.643   8.666   0.819
  118   1HZ   LYS  16          1HZ       LYS  16  -7.597   7.898   2.838
  119   2HZ   LYS  16          2HZ       LYS  16  -8.215   8.401   1.347
  120   3HZ   LYS  16          3HZ       LYS  16  -7.206   9.430   2.233
  121    H    ARG  17           H        ARG  17  -4.966   4.908   1.618
  122    HA   ARG  17           HA       ARG  17  -3.823   6.174   3.065
  123   1HB   ARG  17          2HB       ARG  17  -6.271   6.781   3.710
  124   2HB   ARG  17          1HB       ARG  17  -5.945   5.813   5.144
  125   1HG   ARG  17          2HG       ARG  17  -5.473   8.056   5.696
  126   2HG   ARG  17          1HG       ARG  17  -3.932   7.216   5.522
  127   1HD   ARG  17          2HD       ARG  17  -3.629   8.139   3.313
  128   2HD   ARG  17          1HD       ARG  17  -5.214   8.907   3.385
  129    HE   ARG  17           HE       ARG  17  -3.711   9.811   5.558
  130   1HH1  ARG  17          1HH1      ARG  17  -3.703  10.011   2.081
  131   2HH1  ARG  17          2HH1      ARG  17  -2.945  11.569   2.044
  132   1HH2  ARG  17          1HH2      ARG  17  -2.716  11.861   5.521
  133   2HH2  ARG  17          2HH2      ARG  17  -2.383  12.621   3.999
  134    H    GLY  18           H        GLY  18  -3.131   3.539   2.929
  135   1HA   GLY  18          2HA       GLY  18  -3.135   2.022   5.248
  136   2HA   GLY  18          1HA       GLY  18  -1.868   1.974   4.032
  137    H    LYS  19           H        LYS  19  -0.614   1.497   6.079
  138    HA   LYS  19           HA       LYS  19  -0.186   3.543   7.969
  139   1HB   LYS  19          2HB       LYS  19   1.787   2.241   8.661
  140   2HB   LYS  19          1HB       LYS  19   0.355   1.243   8.488
  141   1HG   LYS  19          2HG       LYS  19   1.157   0.467   6.317
  142   2HG   LYS  19          1HG       LYS  19   2.606   1.458   6.503
  143   1HD   LYS  19          2HD       LYS  19   3.124   0.202   8.588
  144   2HD   LYS  19          1HD       LYS  19   1.746  -0.847   8.251
  145   1HE   LYS  19          2HE       LYS  19   3.798  -1.896   7.506
  146   2HE   LYS  19          1HE       LYS  19   2.781  -1.496   6.121
  147   1HZ   LYS  19          1HZ       LYS  19   5.007   0.224   7.063
  148   2HZ   LYS  19          2HZ       LYS  19   4.143   0.358   5.615
  149   3HZ   LYS  19          3HZ       LYS  19   5.184  -0.951   5.858
  150    H    GLY  20           H        GLY  20   2.523   3.937   8.176
  151   1HA   GLY  20          2HA       GLY  20   2.932   6.160   6.588
  152   2HA   GLY  20          1HA       GLY  20   4.201   5.302   7.441
  153    H    LYS  21           H        LYS  21   3.811   2.819   5.877
  154    HA   LYS  21           HA       LYS  21   4.659   3.734   3.220
  155   1HB   LYS  21          2HB       LYS  21   6.213   1.817   4.958
  156   2HB   LYS  21          1HB       LYS  21   6.575   2.172   3.275
  157   1HG   LYS  21          2HG       LYS  21   6.596   4.188   5.512
  158   2HG   LYS  21          1HG       LYS  21   8.020   3.392   4.839
  159   1HD   LYS  21          2HD       LYS  21   7.542   4.378   2.653
  160   2HD   LYS  21          1HD       LYS  21   6.110   5.165   3.317
  161   1HE   LYS  21          2HE       LYS  21   8.037   6.690   3.164
  162   2HE   LYS  21          1HE       LYS  21   7.480   6.469   4.823
  163   1HZ   LYS  21          1HZ       LYS  21   9.962   6.387   4.430
  164   2HZ   LYS  21          2HZ       LYS  21   9.709   4.886   3.691
  165   3HZ   LYS  21          3HZ       LYS  21   9.302   5.106   5.318
  166    H    ASP  22           H        ASP  22   2.178   2.630   3.583
  167    HA   ASP  22           HA       ASP  22   2.289   0.436   1.808
  168   1HB   ASP  22          2HB       ASP  22   1.997  -0.184   4.701
  169   2HB   ASP  22          1HB       ASP  22   0.994  -1.087   3.571
  170    H    VAL  23           H        VAL  23   0.998   2.568   1.300
  171    HA   VAL  23           HA       VAL  23  -1.783   2.381   2.133
  172    HB   VAL  23           HB       VAL  23  -0.392   4.264   0.232
  173   1HG1  VAL  23          1HG1      VAL  23  -2.367   5.136  -0.351
  174   2HG1  VAL  23          2HG1      VAL  23  -2.930   5.157   1.321
  175   3HG1  VAL  23          3HG1      VAL  23  -3.102   3.693   0.352
  176   1HG2  VAL  23          1HG2      VAL  23  -1.465   5.506   2.575
  177   2HG2  VAL  23          2HG2      VAL  23   0.202   5.464   2.000
  178   3HG2  VAL  23          3HG2      VAL  23  -0.406   4.174   3.039
  179    H    GLU  24           H        GLU  24  -3.383   1.524   0.885
  180    HA   GLU  24           HA       GLU  24  -3.004   1.071  -1.918
  181   1HB   GLU  24          2HB       GLU  24  -1.886  -0.913  -0.871
  182   2HB   GLU  24          1HB       GLU  24  -3.398  -1.344  -0.131
  183   1HG   GLU  24          2HG       GLU  24  -3.315  -0.975  -3.034
  184   2HG   GLU  24          1HG       GLU  24  -2.673  -2.437  -2.374
  185    H    TYR  25           H        TYR  25  -4.979  -0.012  -2.822
  186    HA   TYR  25           HA       TYR  25  -7.330   0.885  -1.365
  187   1HB   TYR  25          2HB       TYR  25  -6.780   1.083  -4.346
  188   2HB   TYR  25          1HB       TYR  25  -8.240   1.651  -3.501
  189    HD1  TYR  25           1HD      TYR  25  -4.566   1.943  -3.460
  190    HD2  TYR  25           2HD      TYR  25  -8.308   3.781  -2.649
  191    HE1  TYR  25           1HE      TYR  25  -3.430   4.085  -3.039
  192    HE2  TYR  25           2HE      TYR  25  -7.207   5.920  -2.231
  193    HH   TYR  25           HH       TYR  25  -5.225   7.060  -2.587
  194    H    LEU  26           H        LEU  26  -7.946  -0.914  -0.551
  195    HA   LEU  26           HA       LEU  26  -9.466  -2.767  -2.002
  196   1HB   LEU  26          2HB       LEU  26  -6.740  -3.325  -1.740
  197   2HB   LEU  26          1HB       LEU  26  -7.584  -4.445  -0.732
  198    HG   LEU  26           HG       LEU  26  -7.004  -5.228  -3.043
  199   1HD1  LEU  26          1HD1      LEU  26  -9.887  -5.245  -2.184
  200   2HD1  LEU  26          2HD1      LEU  26  -8.628  -6.387  -1.711
  201   3HD1  LEU  26          3HD1      LEU  26  -9.180  -6.331  -3.383
  202   1HD2  LEU  26          1HD2      LEU  26  -7.434  -3.418  -4.453
  203   2HD2  LEU  26          2HD2      LEU  26  -9.044  -3.161  -3.786
  204   3HD2  LEU  26          3HD2      LEU  26  -8.723  -4.569  -4.791
  205    H    VAL  27           H        VAL  27 -10.870  -1.850  -0.415
  206    HA   VAL  27           HA       VAL  27 -10.563  -3.229   2.107
  207    HB   VAL  27           HB       VAL  27 -11.292  -0.353   1.952
  208   1HG1  VAL  27          1HG1      VAL  27 -11.545  -2.331   4.020
  209   2HG1  VAL  27          2HG1      VAL  27 -12.131  -0.668   3.983
  210   3HG1  VAL  27          3HG1      VAL  27 -10.495  -1.014   4.543
  211   1HG2  VAL  27          1HG2      VAL  27  -8.693  -1.641   2.107
  212   2HG2  VAL  27          2HG2      VAL  27  -8.971  -0.492   3.414
  213   3HG2  VAL  27          3HG2      VAL  27  -9.104   0.031   1.735
  214    H    ARG  28           H        ARG  28 -12.242  -3.555  -0.255
  215    HA   ARG  28           HA       ARG  28 -14.855  -2.822   0.822
  216   1HB   ARG  28          2HB       ARG  28 -15.391  -3.342  -1.731
  217   2HB   ARG  28          1HB       ARG  28 -14.929  -1.786  -1.100
  218   1HG   ARG  28          2HG       ARG  28 -13.824  -2.274  -3.149
  219   2HG   ARG  28          1HG       ARG  28 -12.653  -2.098  -1.875
  220   1HD   ARG  28          2HD       ARG  28 -12.203  -4.417  -1.854
  221   2HD   ARG  28          1HD       ARG  28 -13.699  -4.813  -2.663
  222    HE   ARG  28           HE       ARG  28 -12.170  -3.463  -4.489
  223   1HH1  ARG  28          1HH1      ARG  28 -11.941  -6.356  -2.695
  224   2HH1  ARG  28          2HH1      ARG  28 -10.954  -7.172  -3.849
  225   1HH2  ARG  28          1HH2      ARG  28 -10.886  -4.468  -6.055
  226   2HH2  ARG  28          2HH2      ARG  28 -10.351  -6.090  -5.774
  227    H    TRP  29           H        TRP  29 -13.419  -5.476  -0.972
  228    HA   TRP  29           HA       TRP  29 -15.589  -7.015  -1.226
  229   1HB   TRP  29          2HB       TRP  29 -13.972  -8.983  -1.231
  230   2HB   TRP  29          1HB       TRP  29 -13.761  -7.726  -2.435
  231    HD1  TRP  29           HD       TRP  29 -11.349  -9.277  -2.377
  232    HE1  TRP  29           1HE      TRP  29  -9.124  -8.599  -1.290
  233    HE3  TRP  29           3HE      TRP  29 -13.037  -5.768   1.008
  234    HZ2  TRP  29           2HZ      TRP  29  -8.182  -6.838   0.681
  235    HZ3  TRP  29           3HZ      TRP  29 -11.432  -4.673   2.427
  236    HH2  TRP  29           HH       TRP  29  -9.043  -5.191   2.286
  237    H    LYS  30           H        LYS  30 -13.241  -8.176   0.998
  238    HA   LYS  30           HA       LYS  30 -15.310  -9.208   2.698
  239   1HB   LYS  30          2HB       LYS  30 -13.564 -10.745   2.092
  240   2HB   LYS  30          1HB       LYS  30 -12.328  -9.663   2.708
  241   1HG   LYS  30          2HG       LYS  30 -13.141  -9.986   4.973
  242   2HG   LYS  30          1HG       LYS  30 -14.450 -11.005   4.373
  243   1HD   LYS  30          2HD       LYS  30 -11.499 -11.596   4.120
  244   2HD   LYS  30          1HD       LYS  30 -12.601 -12.341   5.279
  245   1HE   LYS  30          2HE       LYS  30 -13.917 -13.250   3.409
  246   2HE   LYS  30          1HE       LYS  30 -12.774 -12.538   2.272
  247   1HZ   LYS  30          1HZ       LYS  30 -12.257 -14.845   2.602
  248   2HZ   LYS  30          2HZ       LYS  30 -12.181 -14.644   4.281
  249   3HZ   LYS  30          3HZ       LYS  30 -11.025 -13.911   3.289
  250    H    ASP  31           H        ASP  31 -12.173  -8.137   3.842
  251    HA   ASP  31           HA       ASP  31 -11.705  -7.133   5.823
  252   1HB   ASP  31          2HB       ASP  31 -12.024  -4.685   5.628
  253   2HB   ASP  31          1HB       ASP  31 -11.404  -5.439   4.166
  254    H    GLY  32           H        GLY  32 -13.381  -4.812   6.883
  255   1HA   GLY  32          2HA       GLY  32 -15.237  -4.492   8.240
  256   2HA   GLY  32          1HA       GLY  32 -15.805  -6.098   7.794
  257    H    GLY  33           H        GLY  33 -13.990  -7.825   8.574
  258   1HA   GLY  33          2HA       GLY  33 -13.965  -7.563  11.474
  259   2HA   GLY  33          1HA       GLY  33 -13.523  -8.996  10.546
  260    H    ASP  34           H        ASP  34 -11.716  -8.088   8.832
  261    HA   ASP  34           HA       ASP  34  -9.565  -6.876  10.411
  262   1HB   ASP  34          2HB       ASP  34  -9.192  -9.304  10.330
  263   2HB   ASP  34          1HB       ASP  34  -9.325  -9.277   8.572
  264    H    CYS  35           H        CYS  35  -7.843  -5.965   9.028
  265    HA   CYS  35           HA       CYS  35  -8.990  -4.740   6.630
  266   1HB   CYS  35          2HB       CYS  35  -6.904  -3.329   6.721
  267   2HB   CYS  35          1HB       CYS  35  -7.933  -3.195   8.145
  268    HG   CYS  35           HG       CYS  35  -5.044  -5.017   7.936
  269    H    GLU  36           H        GLU  36  -8.277  -5.210   4.568
  270    HA   GLU  36           HA       GLU  36  -6.006  -7.056   4.351
  271   1HB   GLU  36          2HB       GLU  36  -7.931  -7.723   2.374
  272   2HB   GLU  36          1HB       GLU  36  -7.282  -8.742   3.645
  273   1HG   GLU  36          2HG       GLU  36  -9.045  -7.774   5.158
  274   2HG   GLU  36          1HG       GLU  36  -9.742  -6.996   3.734
  275    H    TRP  37           H        TRP  37  -6.566  -4.132   3.626
  276    HA   TRP  37           HA       TRP  37  -6.500  -3.999   0.773
  277   1HB   TRP  37          2HB       TRP  37  -6.408  -1.766   1.091
  278   2HB   TRP  37          1HB       TRP  37  -6.946  -2.202   2.695
  279    HD1  TRP  37           HD       TRP  37  -4.334  -0.291   0.956
  280    HE1  TRP  37           1HE      TRP  37  -2.513   0.476   2.617
  281    HE3  TRP  37           3HE      TRP  37  -5.608  -3.171   4.956
  282    HZ2  TRP  37           2HZ      TRP  37  -1.758  -0.096   5.277
  283    HZ3  TRP  37           3HZ      TRP  37  -4.298  -3.013   7.008
  284    HH2  TRP  37           HH       TRP  37  -2.412  -1.504   7.164
  285    H    VAL  38           H        VAL  38  -4.704  -4.066  -0.592
  286    HA   VAL  38           HA       VAL  38  -2.332  -5.247   0.574
  287    HB   VAL  38           HB       VAL  38  -2.839  -4.882  -2.369
  288   1HG1  VAL  38          1HG1      VAL  38  -0.590  -5.695  -1.234
  289   2HG1  VAL  38          2HG1      VAL  38  -1.194  -6.433  -2.718
  290   3HG1  VAL  38          3HG1      VAL  38  -1.459  -7.228  -1.166
  291   1HG2  VAL  38          1HG2      VAL  38  -4.015  -6.832  -0.438
  292   2HG2  VAL  38          2HG2      VAL  38  -3.670  -7.340  -2.091
  293   3HG2  VAL  38          3HG2      VAL  38  -4.773  -5.996  -1.792
  294    H    LYS  39           H        LYS  39  -1.138  -3.982  -2.261
  295    HA   LYS  39           HA       LYS  39  -0.039  -1.610  -0.948
  296   1HB   LYS  39          2HB       LYS  39   1.484  -3.644  -1.582
  297   2HB   LYS  39          1HB       LYS  39   1.332  -3.019  -3.219
  298   1HG   LYS  39          2HG       LYS  39   2.294  -0.910  -2.544
  299   2HG   LYS  39          1HG       LYS  39   2.348  -1.441  -0.862
  300   1HD   LYS  39          2HD       LYS  39   3.848  -3.308  -1.588
  301   2HD   LYS  39          1HD       LYS  39   3.904  -2.567  -3.188
  302   1HE   LYS  39          2HE       LYS  39   4.847  -0.534  -2.221
  303   2HE   LYS  39          1HE       LYS  39   4.761  -1.250  -0.614
  304   1HZ   LYS  39          1HZ       LYS  39   6.207  -3.085  -1.660
  305   2HZ   LYS  39          2HZ       LYS  39   6.935  -1.621  -1.226
  306   3HZ   LYS  39          3HZ       LYS  39   6.555  -1.928  -2.846
  307    H    GLY  40           H        GLY  40  -0.640   0.219  -1.771
  308   1HA   GLY  40          2HA       GLY  40  -2.362   0.506  -3.974
  309   2HA   GLY  40          1HA       GLY  40  -1.571   1.808  -3.096
  310    H    VAL  41           H        VAL  41   1.087   1.427  -3.590
  311    HA   VAL  41           HA       VAL  41   1.615   2.739  -5.896
  312    HB   VAL  41           HB       VAL  41   3.334   2.173  -4.198
  313   1HG1  VAL  41          1HG1      VAL  41   4.256   0.095  -3.938
  314   2HG1  VAL  41          2HG1      VAL  41   3.872  -0.406  -5.582
  315   3HG1  VAL  41          3HG1      VAL  41   2.604  -0.347  -4.361
  316   1HG2  VAL  41          1HG2      VAL  41   4.946   1.303  -6.318
  317   2HG2  VAL  41          2HG2      VAL  41   4.682   2.963  -5.780
  318   3HG2  VAL  41          3HG2      VAL  41   3.671   2.276  -7.052
  319    H    HIS  42           H        HIS  42   1.125  -0.716  -5.557
  320    HA   HIS  42           HA       HIS  42   1.528  -1.162  -8.398
  321   1HB   HIS  42          2HB       HIS  42   2.464  -2.944  -7.305
  322   2HB   HIS  42          1HB       HIS  42   1.379  -2.809  -5.932
  323    HD1  HIS  42           1HD      HIS  42   1.325  -4.107  -9.512
  324    HD2  HIS  42           2HD      HIS  42  -0.550  -4.641  -5.850
  325    HE1  HIS  42           1HE      HIS  42  -0.195  -6.089  -9.827
  326    HE2  HIS  42           2HE      HIS  42  -1.378  -6.355  -7.614
  327    H    VAL  43           H        VAL  43  -0.979  -1.017  -5.953
  328    HA   VAL  43           HA       VAL  43  -3.062  -1.760  -7.849
  329    HB   VAL  43           HB       VAL  43  -3.369  -0.936  -4.953
  330   1HG1  VAL  43          1HG1      VAL  43  -5.555  -1.091  -5.297
  331   2HG1  VAL  43          2HG1      VAL  43  -5.369  -2.734  -5.911
  332   3HG1  VAL  43          3HG1      VAL  43  -5.254  -1.362  -7.013
  333   1HG2  VAL  43          1HG2      VAL  43  -1.979  -3.096  -5.701
  334   2HG2  VAL  43          2HG2      VAL  43  -3.607  -3.771  -5.769
  335   3HG2  VAL  43          3HG2      VAL  43  -3.005  -3.066  -4.268
  336    H    ALA  44           H        ALA  44  -1.657   0.678  -8.436
  337    HA   ALA  44           HA       ALA  44  -2.054   2.849  -9.032
  338   1HB   ALA  44          1HB       ALA  44  -4.064   1.544 -10.012
  339   2HB   ALA  44          2HB       ALA  44  -4.118   3.307  -9.962
  340   3HB   ALA  44          3HB       ALA  44  -4.988   2.363  -8.752
  341    H    GLU  45           H        GLU  45  -1.227   3.060  -6.631
  342    HA   GLU  45           HA       GLU  45  -2.980   3.831  -4.614
  343   1HB   GLU  45          2HB       GLU  45  -0.698   3.375  -4.054
  344   2HB   GLU  45          1HB       GLU  45  -0.121   4.661  -5.100
  345   1HG   GLU  45          2HG       GLU  45  -1.342   6.260  -3.584
  346   2HG   GLU  45          1HG       GLU  45  -1.602   4.899  -2.496
  347    H    ASP  46           H        ASP  46  -1.300   5.829  -7.013
  348    HA   ASP  46           HA       ASP  46  -2.457   8.256  -6.053
  349   1HB   ASP  46          2HB       ASP  46  -0.232   7.962  -7.271
  350   2HB   ASP  46          1HB       ASP  46  -1.179   7.859  -8.750
  351    H    VAL  47           H        VAL  47  -4.179   5.878  -7.369
  352    HA   VAL  47           HA       VAL  47  -5.685   7.709  -9.127
  353    HB   VAL  47           HB       VAL  47  -5.675   4.675  -9.069
  354   1HG1  VAL  47          1HG1      VAL  47  -7.714   6.392  -9.920
  355   2HG1  VAL  47          2HG1      VAL  47  -7.549   4.674 -10.278
  356   3HG1  VAL  47          3HG1      VAL  47  -6.896   5.872 -11.395
  357   1HG2  VAL  47          1HG2      VAL  47  -3.654   5.566 -10.049
  358   2HG2  VAL  47          2HG2      VAL  47  -4.590   6.637 -11.091
  359   3HG2  VAL  47          3HG2      VAL  47  -4.678   4.890 -11.316
  360    H    ALA  48           H        ALA  48  -6.042   5.214  -6.645
  361    HA   ALA  48           HA       ALA  48  -8.804   6.014  -6.236
  362   1HB   ALA  48          1HB       ALA  48  -8.739   4.137  -4.527
  363   2HB   ALA  48          2HB       ALA  48  -7.139   3.763  -5.168
  364   3HB   ALA  48          3HB       ALA  48  -8.549   3.690  -6.222
  365    H    LYS  49           H        LYS  49  -5.778   6.975  -5.074
  366    HA   LYS  49           HA       LYS  49  -6.294   7.378  -2.342
  367   1HB   LYS  49          2HB       LYS  49  -4.497   8.953  -2.323
  368   2HB   LYS  49          1HB       LYS  49  -4.048   7.668  -3.424
  369   1HG   LYS  49          2HG       LYS  49  -4.612   9.059  -5.329
  370   2HG   LYS  49          1HG       LYS  49  -5.153  10.343  -4.245
  371   1HD   LYS  49          2HD       LYS  49  -2.896  10.521  -3.323
  372   2HD   LYS  49          1HD       LYS  49  -2.348   9.246  -4.410
  373   1HE   LYS  49          2HE       LYS  49  -1.771  11.451  -5.280
  374   2HE   LYS  49          1HE       LYS  49  -2.926  10.638  -6.335
  375   1HZ   LYS  49          1HZ       LYS  49  -4.701  11.936  -5.282
  376   2HZ   LYS  49          2HZ       LYS  49  -3.556  12.927  -6.035
  377   3HZ   LYS  49          3HZ       LYS  49  -3.552  12.760  -4.353
  378    H    ASP  50           H        ASP  50  -6.826   9.433  -5.125
  379    HA   ASP  50           HA       ASP  50  -7.949  11.553  -3.660
  380   1HB   ASP  50          2HB       ASP  50  -6.977  11.966  -5.817
  381   2HB   ASP  50          1HB       ASP  50  -8.068  10.816  -6.572
  382    H    TYR  51           H        TYR  51  -9.223   8.596  -4.804
  383    HA   TYR  51           HA       TYR  51 -11.913   9.226  -5.105
  384   1HB   TYR  51          2HB       TYR  51 -11.031   7.109  -5.837
  385   2HB   TYR  51          1HB       TYR  51 -10.638   6.711  -4.173
  386    HD1  TYR  51           1HD      TYR  51 -13.184   6.670  -6.718
  387    HD2  TYR  51           2HD      TYR  51 -12.511   6.376  -2.510
  388    HE1  TYR  51           1HE      TYR  51 -15.374   5.563  -6.426
  389    HE2  TYR  51           2HE      TYR  51 -14.703   5.299  -2.223
  390    HH   TYR  51           HH       TYR  51 -16.364   3.879  -4.522
  391    H    GLU  52           H        GLU  52 -10.356   7.728  -2.299
  392    HA   GLU  52           HA       GLU  52 -12.737   8.176  -0.712
  393   1HB   GLU  52          2HB       GLU  52 -11.626   6.041  -0.563
  394   2HB   GLU  52          1HB       GLU  52 -10.163   6.827  -0.062
  395   1HG   GLU  52          2HG       GLU  52 -11.515   7.730   1.911
  396   2HG   GLU  52          1HG       GLU  52 -12.718   6.530   1.453
  397    H    ASP  53           H        ASP  53  -9.302   8.848  -0.293
  398    HA   ASP  53           HA       ASP  53  -8.950  10.199   1.905
  399   1HB   ASP  53          2HB       ASP  53  -7.271  11.524   0.863
  400   2HB   ASP  53          1HB       ASP  53  -7.392  10.049  -0.106
  401    H    GLY  54           H        GLY  54 -10.724  11.636  -0.805
  402   1HA   GLY  54          2HA       GLY  54 -11.290  14.071   0.666
  403   2HA   GLY  54          1HA       GLY  54 -11.869  13.661  -0.944
  404    H    LEU  55           H        LEU  55 -13.210  11.342  -0.604
  405    HA   LEU  55           HA       LEU  55 -15.663  12.151   0.527
  406   1HB   LEU  55          2HB       LEU  55 -14.709   9.400  -0.250
  407   2HB   LEU  55          1HB       LEU  55 -16.367   9.806   0.148
  408    HG   LEU  55           HG       LEU  55 -14.780  10.825  -2.208
  409   1HD1  LEU  55          1HD1      LEU  55 -16.155   9.503  -3.554
  410   2HD1  LEU  55          2HD1      LEU  55 -17.326   9.243  -2.262
  411   3HD1  LEU  55          3HD1      LEU  55 -15.748   8.456  -2.195
  412   1HD2  LEU  55          1HD2      LEU  55 -16.120  12.600  -2.181
  413   2HD2  LEU  55          2HD2      LEU  55 -17.080  11.937  -0.857
  414   3HD2  LEU  55          3HD2      LEU  55 -17.458  11.503  -2.525
  415    H    GLU  56           H        GLU  56 -14.004   9.179   1.521
  416    HA   GLU  56           HA       GLU  56 -14.902   9.659   4.248
  417   1HB   GLU  56          2HB       GLU  56 -15.377   7.462   3.303
  418   2HB   GLU  56          1HB       GLU  56 -13.672   7.212   2.974
  419   1HG   GLU  56          2HG       GLU  56 -14.442   5.974   4.936
  420   2HG   GLU  56          1HG       GLU  56 -13.179   7.129   5.334
  421    H    TYR  57           H        TYR  57 -13.194  11.488   4.075
  422    HA   TYR  57           HA       TYR  57 -10.462  10.974   4.152
  423   1HB   TYR  57          2HB       TYR  57 -11.372  13.233   3.940
  424   2HB   TYR  57          1HB       TYR  57 -12.011  13.147   5.578
  425    HD1  TYR  57           1HD      TYR  57  -8.678  12.100   4.287
  426    HD2  TYR  57           2HD      TYR  57 -10.856  14.791   6.759
  427    HE1  TYR  57           1HE      TYR  57  -6.563  13.004   5.154
  428    HE2  TYR  57           2HE      TYR  57  -8.745  15.705   7.633
  429    HH   TYR  57           HH       TYR  57  -6.068  15.663   6.394
  Start of MODEL   15
    1   1H    GLY   1          1HT       GLY   1 -15.160   5.143   7.363
    2   2H    GLY   1          2HT       GLY   1 -15.225   4.934   9.040
    3   3H    GLY   1          3HT       GLY   1 -13.806   4.564   8.198
    4   1HA   GLY   1          1HA       GLY   1 -13.776   6.721   9.451
    5   2HA   GLY   1          2HA       GLY   1 -13.323   6.800   7.756
    6    H    SER   2           H        SER   2 -13.969   8.785   7.146
    7    HA   SER   2           HA       SER   2 -16.278  10.088   8.106
    8   1HB   SER   2          2HB       SER   2 -14.639  10.578   5.610
    9   2HB   SER   2          1HB       SER   2 -15.902  11.661   6.194
   10    HG   SER   2           HG       SER   2 -14.658  11.772   8.183
   11    H    GLN   3           H        GLN   3 -15.654   8.263   5.127
   12    HA   GLN   3           HA       GLN   3 -17.043   7.293   3.616
   13   1HB   GLN   3          2HB       GLN   3 -19.085   7.559   5.834
   14   2HB   GLN   3          1HB       GLN   3 -19.285   6.587   4.385
   15   1HG   GLN   3          2HG       GLN   3 -17.380   5.207   5.049
   16   2HG   GLN   3          1HG       GLN   3 -17.192   6.177   6.509
   17   1HE2  GLN   3          1HE2      GLN   3 -18.363   3.362   5.367
   18   2HE2  GLN   3          2HE2      GLN   3 -19.583   3.040   6.547
   19    H    VAL   4           H        VAL   4 -18.430   7.894   1.945
   20    HA   VAL   4           HA       VAL   4 -20.107  10.217   2.213
   21    HB   VAL   4           HB       VAL   4 -17.662  10.337   0.417
   22   1HG1  VAL   4          1HG1      VAL   4 -18.495  12.539  -0.270
   23   2HG1  VAL   4          2HG1      VAL   4 -19.960  12.289   0.677
   24   3HG1  VAL   4          3HG1      VAL   4 -19.626  11.262  -0.717
   25   1HG2  VAL   4          1HG2      VAL   4 -17.102  10.892   2.677
   26   2HG2  VAL   4          2HG2      VAL   4 -18.520  11.930   2.832
   27   3HG2  VAL   4          3HG2      VAL   4 -17.200  12.392   1.755
   28    H    PHE   5           H        PHE   5 -18.667   7.793   0.016
   29    HA   PHE   5           HA       PHE   5 -20.811   8.221  -1.870
   30   1HB   PHE   5          2HB       PHE   5 -18.258   7.649  -2.317
   31   2HB   PHE   5          1HB       PHE   5 -18.835   5.992  -2.146
   32    HD1  PHE   5           1HD      PHE   5 -20.334   9.025  -3.711
   33    HD2  PHE   5           2HD      PHE   5 -18.961   5.031  -4.225
   34    HE1  PHE   5           1HE      PHE   5 -21.104   9.066  -6.047
   35    HE2  PHE   5           2HE      PHE   5 -19.727   5.065  -6.562
   36    HZ   PHE   5           HZ       PHE   5 -20.830   7.088  -7.467
   37    H    GLU   6           H        GLU   6 -20.846   5.370  -2.634
   38    HA   GLU   6           HA       GLU   6 -22.850   4.519  -0.760
   39   1HB   GLU   6          2HB       GLU   6 -23.457   2.984  -2.402
   40   2HB   GLU   6          1HB       GLU   6 -22.868   4.375  -3.304
   41   1HG   GLU   6          2HG       GLU   6 -20.674   3.231  -3.488
   42   2HG   GLU   6          1HG       GLU   6 -21.426   1.800  -2.792
   43    H    TYR   7           H        TYR   7 -19.634   3.726  -1.775
   44    HA   TYR   7           HA       TYR   7 -17.990   2.413  -0.967
   45   1HB   TYR   7          2HB       TYR   7 -19.320   3.676   1.242
   46   2HB   TYR   7          1HB       TYR   7 -18.656   2.136   1.744
   47    HD1  TYR   7           1HD      TYR   7 -16.404   3.155  -0.751
   48    HD2  TYR   7           2HD      TYR   7 -17.681   4.188   3.185
   49    HE1  TYR   7           1HE      TYR   7 -14.230   4.227  -0.312
   50    HE2  TYR   7           2HE      TYR   7 -15.507   5.226   3.619
   51    HH   TYR   7           HH       TYR   7 -13.108   4.869   2.684
   52    H    ALA   8           H        ALA   8 -19.910   0.871  -2.142
   53    HA   ALA   8           HA       ALA   8 -19.881  -1.532  -0.452
   54   1HB   ALA   8          1HB       ALA   8 -22.174  -0.312  -1.228
   55   2HB   ALA   8          2HB       ALA   8 -22.031  -2.051  -0.967
   56   3HB   ALA   8          3HB       ALA   8 -21.909  -1.392  -2.599
   57    H    GLU   9           H        GLU   9 -17.802  -0.685  -2.017
   58    HA   GLU   9           HA       GLU   9 -17.688  -1.397  -4.622
   59   1HB   GLU   9          2HB       GLU   9 -15.279  -2.194  -3.210
   60   2HB   GLU   9          1HB       GLU   9 -15.498  -1.027  -4.473
   61   1HG   GLU   9          2HG       GLU   9 -15.829  -0.591  -1.548
   62   2HG   GLU   9          1HG       GLU   9 -14.559   0.005  -2.559
   63    H    VAL  10           H        VAL  10 -17.177  -3.388  -1.761
   64    HA   VAL  10           HA       VAL  10 -16.868  -5.659  -1.489
   65    HB   VAL  10           HB       VAL  10 -19.282  -5.239  -1.853
   66   1HG1  VAL  10          1HG1      VAL  10 -20.253  -6.218  -3.981
   67   2HG1  VAL  10          2HG1      VAL  10 -18.629  -6.087  -4.651
   68   3HG1  VAL  10          3HG1      VAL  10 -19.475  -4.641  -4.106
   69   1HG2  VAL  10          1HG2      VAL  10 -19.877  -7.629  -2.121
   70   2HG2  VAL  10          2HG2      VAL  10 -18.537  -7.371  -1.005
   71   3HG2  VAL  10          3HG2      VAL  10 -18.223  -7.946  -2.643
   72    H    ASP  11           H        ASP  11 -15.222  -4.497  -3.390
   73    HA   ASP  11           HA       ASP  11 -13.812  -6.480  -4.558
   74   1HB   ASP  11          2HB       ASP  11 -15.685  -7.230  -5.862
   75   2HB   ASP  11          1HB       ASP  11 -16.023  -5.592  -6.412
   76    H    GLU  12           H        GLU  12 -14.925  -3.174  -4.757
   77    HA   GLU  12           HA       GLU  12 -12.454  -2.445  -6.215
   78   1HB   GLU  12          2HB       GLU  12 -15.145  -1.910  -6.836
   79   2HB   GLU  12          1HB       GLU  12 -14.435  -0.383  -6.335
   80   1HG   GLU  12          2HG       GLU  12 -12.633  -0.706  -7.973
   81   2HG   GLU  12          1HG       GLU  12 -13.395  -2.213  -8.481
   82    H    ILE  13           H        ILE  13 -11.426  -2.325  -4.052
   83    HA   ILE  13           HA       ILE  13 -11.051  -1.399  -1.978
   84    HB   ILE  13           HB       ILE  13  -9.672   0.532  -2.248
   85   1HG1  ILE  13          2HG1      ILE  13 -11.068   1.854  -3.791
   86   2HG1  ILE  13          1HG1      ILE  13  -9.419   1.690  -4.365
   87   1HG2  ILE  13          1HG2      ILE  13  -8.845  -1.664  -2.960
   88   2HG2  ILE  13          2HG2      ILE  13  -8.098  -0.358  -3.871
   89   3HG2  ILE  13          3HG2      ILE  13  -9.377  -1.328  -4.600
   90   1HD1  ILE  13          1HD1      ILE  13 -11.889   0.887  -5.612
   91   2HD1  ILE  13          2HD1      ILE  13 -10.720  -0.432  -5.537
   92   3HD1  ILE  13          3HD1      ILE  13 -10.281   1.094  -6.308
   93    H    VAL  14           H        VAL  14 -11.981  -0.503  -0.280
   94    HA   VAL  14           HA       VAL  14 -13.797   1.762  -0.643
   95    HB   VAL  14           HB       VAL  14 -14.266  -0.719   0.697
   96   1HG1  VAL  14          1HG1      VAL  14 -13.331   0.256   2.748
   97   2HG1  VAL  14          2HG1      VAL  14 -15.071   0.017   2.891
   98   3HG1  VAL  14          3HG1      VAL  14 -14.424   1.630   2.596
   99   1HG2  VAL  14          1HG2      VAL  14 -16.247   1.353   1.157
  100   2HG2  VAL  14          2HG2      VAL  14 -16.369  -0.150   0.244
  101   3HG2  VAL  14          3HG2      VAL  14 -15.695   1.293  -0.514
  102    H    GLU  15           H        GLU  15 -10.915   0.586   0.946
  103    HA   GLU  15           HA       GLU  15 -10.796   3.265   2.179
  104   1HB   GLU  15          2HB       GLU  15 -11.091   0.957   3.725
  105   2HB   GLU  15          1HB       GLU  15  -9.371   1.353   3.817
  106   1HG   GLU  15          2HG       GLU  15  -9.927   3.650   4.462
  107   2HG   GLU  15          1HG       GLU  15 -11.638   3.227   4.435
  108    H    LYS  16           H        LYS  16  -8.435   3.617   3.135
  109    HA   LYS  16           HA       LYS  16  -6.239   2.431   1.843
  110   1HB   LYS  16          2HB       LYS  16  -5.845   4.265   0.158
  111   2HB   LYS  16          1HB       LYS  16  -7.121   3.112  -0.175
  112   1HG   LYS  16          2HG       LYS  16  -7.889   5.321  -0.746
  113   2HG   LYS  16          1HG       LYS  16  -8.791   4.717   0.634
  114   1HD   LYS  16          2HD       LYS  16  -6.393   6.255   1.333
  115   2HD   LYS  16          1HD       LYS  16  -7.630   7.170   0.476
  116   1HE   LYS  16          2HE       LYS  16  -9.287   6.566   2.108
  117   2HE   LYS  16          1HE       LYS  16  -8.153   5.505   2.932
  118   1HZ   LYS  16          1HZ       LYS  16  -8.621   8.090   3.566
  119   2HZ   LYS  16          2HZ       LYS  16  -7.204   8.203   2.654
  120   3HZ   LYS  16          3HZ       LYS  16  -7.249   7.211   4.020
  121    H    ARG  17           H        ARG  17  -4.481   4.514   1.374
  122    HA   ARG  17           HA       ARG  17  -3.270   6.190   2.256
  123   1HB   ARG  17          2HB       ARG  17  -5.488   7.265   2.764
  124   2HB   ARG  17          1HB       ARG  17  -5.385   6.549   4.368
  125   1HG   ARG  17          2HG       ARG  17  -3.487   7.815   4.926
  126   2HG   ARG  17          1HG       ARG  17  -3.234   8.306   3.249
  127   1HD   ARG  17          2HD       ARG  17  -5.306   9.585   3.303
  128   2HD   ARG  17          1HD       ARG  17  -5.590   9.073   4.966
  129    HE   ARG  17           HE       ARG  17  -3.096  10.296   4.888
  130   1HH1  ARG  17          1HH1      ARG  17  -6.429  11.148   4.349
  131   2HH1  ARG  17          2HH1      ARG  17  -6.225  12.787   4.865
  132   1HH2  ARG  17          1HH2      ARG  17  -2.817  12.452   5.571
  133   2HH2  ARG  17          2HH2      ARG  17  -4.171  13.532   5.562
  134    H    GLY  18           H        GLY  18  -1.497   5.930   3.488
  135   1HA   GLY  18          2HA       GLY  18  -1.546   4.917   6.134
  136   2HA   GLY  18          1HA       GLY  18  -1.051   3.668   5.001
  137    H    LYS  19           H        LYS  19   0.971   3.471   5.812
  138    HA   LYS  19           HA       LYS  19   2.815   5.255   6.614
  139   1HB   LYS  19          2HB       LYS  19   3.301   2.846   4.873
  140   2HB   LYS  19          1HB       LYS  19   4.566   3.712   5.728
  141   1HG   LYS  19          2HG       LYS  19   3.408   3.201   7.857
  142   2HG   LYS  19          1HG       LYS  19   2.251   2.226   6.949
  143   1HD   LYS  19          2HD       LYS  19   4.054   0.770   6.192
  144   2HD   LYS  19          1HD       LYS  19   5.233   1.764   7.051
  145   1HE   LYS  19          2HE       LYS  19   2.967   0.222   8.314
  146   2HE   LYS  19          1HE       LYS  19   4.662  -0.260   8.308
  147   1HZ   LYS  19          1HZ       LYS  19   4.220   0.750  10.383
  148   2HZ   LYS  19          2HZ       LYS  19   3.457   2.080   9.673
  149   3HZ   LYS  19          3HZ       LYS  19   5.126   1.874   9.500
  150    H    GLY  20           H        GLY  20   4.547   6.442   5.652
  151   1HA   GLY  20          2HA       GLY  20   3.955   8.119   3.585
  152   2HA   GLY  20          1HA       GLY  20   5.601   7.682   4.014
  153    H    LYS  21           H        LYS  21   5.029   4.810   3.295
  154    HA   LYS  21           HA       LYS  21   4.973   5.110   0.370
  155   1HB   LYS  21          2HB       LYS  21   6.766   3.423   0.233
  156   2HB   LYS  21          1HB       LYS  21   7.278   4.877   1.078
  157   1HG   LYS  21          2HG       LYS  21   6.983   3.760   3.220
  158   2HG   LYS  21          1HG       LYS  21   6.431   2.304   2.394
  159   1HD   LYS  21          2HD       LYS  21   8.601   2.101   1.290
  160   2HD   LYS  21          1HD       LYS  21   9.154   3.570   2.101
  161   1HE   LYS  21          2HE       LYS  21   8.301   1.014   3.454
  162   2HE   LYS  21          1HE       LYS  21   9.964   1.554   3.232
  163   1HZ   LYS  21          1HZ       LYS  21   9.224   2.085   5.441
  164   2HZ   LYS  21          2HZ       LYS  21   7.871   2.908   4.846
  165   3HZ   LYS  21          3HZ       LYS  21   9.422   3.527   4.573
  166    H    ASP  22           H        ASP  22   4.434   2.926   3.117
  167    HA   ASP  22           HA       ASP  22   3.378   0.845   1.442
  168   1HB   ASP  22          2HB       ASP  22   4.566   0.453   3.653
  169   2HB   ASP  22          1HB       ASP  22   3.102   1.029   4.442
  170    H    VAL  23           H        VAL  23   1.955   2.685   0.585
  171    HA   VAL  23           HA       VAL  23  -0.591   2.988   1.983
  172    HB   VAL  23           HB       VAL  23  -0.065   3.639  -0.877
  173   1HG1  VAL  23          1HG1      VAL  23  -2.350   3.777  -0.004
  174   2HG1  VAL  23          2HG1      VAL  23  -1.747   5.337  -0.567
  175   3HG1  VAL  23          3HG1      VAL  23  -1.816   4.987   1.162
  176   1HG2  VAL  23          1HG2      VAL  23   0.365   6.033   0.398
  177   2HG2  VAL  23          2HG2      VAL  23   1.615   4.990  -0.282
  178   3HG2  VAL  23          3HG2      VAL  23   1.212   4.880   1.432
  179    H    GLU  24           H        GLU  24  -2.547   2.123   1.092
  180    HA   GLU  24           HA       GLU  24  -2.494   0.461  -1.165
  181   1HB   GLU  24          2HB       GLU  24  -3.033  -1.667   0.148
  182   2HB   GLU  24          1HB       GLU  24  -1.370  -1.161  -0.008
  183   1HG   GLU  24          2HG       GLU  24  -1.404  -0.174   2.155
  184   2HG   GLU  24          1HG       GLU  24  -3.078  -0.620   2.384
  185    H    TYR  25           H        TYR  25  -4.409  -0.541  -1.706
  186    HA   TYR  25           HA       TYR  25  -6.814   0.591  -0.463
  187   1HB   TYR  25          2HB       TYR  25  -6.222   0.564  -3.462
  188   2HB   TYR  25          1HB       TYR  25  -7.672   1.197  -2.676
  189    HD1  TYR  25           1HD      TYR  25  -3.982   1.569  -2.294
  190    HD2  TYR  25           2HD      TYR  25  -7.767   3.439  -2.523
  191    HE1  TYR  25           1HE      TYR  25  -2.929   3.801  -2.209
  192    HE2  TYR  25           2HE      TYR  25  -6.756   5.609  -2.485
  193    HH   TYR  25           HH       TYR  25  -4.343   6.552  -3.130
  194    H    LEU  26           H        LEU  26  -8.203  -0.902  -0.019
  195    HA   LEU  26           HA       LEU  26  -9.306  -2.829  -1.598
  196   1HB   LEU  26          2HB       LEU  26  -6.680  -3.618  -0.518
  197   2HB   LEU  26          1HB       LEU  26  -7.920  -4.827  -0.396
  198    HG   LEU  26           HG       LEU  26  -6.275  -4.041  -2.663
  199   1HD1  LEU  26          1HD1      LEU  26  -7.515  -6.391  -1.513
  200   2HD1  LEU  26          2HD1      LEU  26  -6.029  -6.219  -2.451
  201   3HD1  LEU  26          3HD1      LEU  26  -7.580  -6.369  -3.276
  202   1HD2  LEU  26          1HD2      LEU  26  -8.283  -4.755  -4.234
  203   2HD2  LEU  26          2HD2      LEU  26  -7.946  -3.069  -3.865
  204   3HD2  LEU  26          3HD2      LEU  26  -9.215  -3.913  -3.015
  205    H    VAL  27           H        VAL  27 -10.660  -1.536   0.203
  206    HA   VAL  27           HA       VAL  27 -10.866  -3.350   2.511
  207    HB   VAL  27           HB       VAL  27 -11.295  -0.394   2.566
  208   1HG1  VAL  27          1HG1      VAL  27 -12.791  -0.935   4.184
  209   2HG1  VAL  27          2HG1      VAL  27 -11.334  -1.125   5.160
  210   3HG1  VAL  27          3HG1      VAL  27 -12.093  -2.538   4.427
  211   1HG2  VAL  27          1HG2      VAL  27  -8.958  -0.897   2.625
  212   2HG2  VAL  27          2HG2      VAL  27  -9.224  -2.143   3.848
  213   3HG2  VAL  27          3HG2      VAL  27  -9.474  -0.453   4.252
  214    H    ARG  28           H        ARG  28 -12.391  -3.829   0.243
  215    HA   ARG  28           HA       ARG  28 -15.066  -3.025   1.135
  216   1HB   ARG  28          2HB       ARG  28 -15.336  -3.196  -1.556
  217   2HB   ARG  28          1HB       ARG  28 -15.109  -1.724  -0.641
  218   1HG   ARG  28          2HG       ARG  28 -13.627  -1.626  -2.443
  219   2HG   ARG  28          1HG       ARG  28 -12.626  -2.023  -1.066
  220   1HD   ARG  28          2HD       ARG  28 -13.637  -4.365  -2.348
  221   2HD   ARG  28          1HD       ARG  28 -12.766  -3.403  -3.474
  222    HE   ARG  28           HE       ARG  28 -11.247  -3.626  -1.148
  223   1HH1  ARG  28          1HH1      ARG  28 -12.297  -5.555  -3.839
  224   2HH1  ARG  28          2HH1      ARG  28 -11.007  -6.685  -3.702
  225   1HH2  ARG  28          1HH2      ARG  28  -9.633  -5.154  -0.918
  226   2HH2  ARG  28          2HH2      ARG  28  -9.453  -6.425  -2.072
  227    H    TRP  29           H        TRP  29 -13.276  -5.261  -0.822
  228    HA   TRP  29           HA       TRP  29 -15.246  -6.874  -1.643
  229   1HB   TRP  29          2HB       TRP  29 -13.497  -8.674  -1.768
  230   2HB   TRP  29          1HB       TRP  29 -13.133  -7.166  -2.579
  231    HD1  TRP  29           HD       TRP  29 -10.759  -8.904  -2.207
  232    HE1  TRP  29           1HE      TRP  29  -8.829  -8.429  -0.582
  233    HE3  TRP  29           3HE      TRP  29 -13.124  -5.709   1.109
  234    HZ2  TRP  29           2HZ      TRP  29  -8.306  -6.932   1.730
  235    HZ3  TRP  29           3HZ      TRP  29 -11.834  -4.850   2.990
  236    HH2  TRP  29           HH       TRP  29  -9.497  -5.461   3.283
  237    H    LYS  30           H        LYS  30 -13.227  -8.329   0.696
  238    HA   LYS  30           HA       LYS  30 -15.425  -9.680   1.919
  239   1HB   LYS  30          2HB       LYS  30 -12.444  -9.943   2.360
  240   2HB   LYS  30          1HB       LYS  30 -13.663 -10.957   3.119
  241   1HG   LYS  30          2HG       LYS  30 -13.149 -10.747   0.159
  242   2HG   LYS  30          1HG       LYS  30 -12.623 -12.064   1.211
  243   1HD   LYS  30          2HD       LYS  30 -15.480 -11.265   0.648
  244   2HD   LYS  30          1HD       LYS  30 -14.643 -12.671  -0.014
  245   1HE   LYS  30          2HE       LYS  30 -14.354 -13.553   2.259
  246   2HE   LYS  30          1HE       LYS  30 -15.214 -12.154   2.902
  247   1HZ   LYS  30          1HZ       LYS  30 -16.346 -14.509   2.189
  248   2HZ   LYS  30          2HZ       LYS  30 -16.665 -13.534   0.843
  249   3HZ   LYS  30          3HZ       LYS  30 -17.175 -13.046   2.381
  250    H    ASP  31           H        ASP  31 -12.794  -9.091   4.072
  251    HA   ASP  31           HA       ASP  31 -12.646  -7.976   6.025
  252   1HB   ASP  31          2HB       ASP  31 -12.316  -6.096   4.590
  253   2HB   ASP  31          1HB       ASP  31 -14.051  -5.933   4.314
  254    H    GLY  32           H        GLY  32 -13.672  -7.400   7.932
  255   1HA   GLY  32          2HA       GLY  32 -16.522  -7.182   8.134
  256   2HA   GLY  32          1HA       GLY  32 -15.925  -8.742   8.692
  257    H    GLY  33           H        GLY  33 -13.808  -8.402  10.104
  258   1HA   GLY  33          2HA       GLY  33 -14.664  -6.687  12.301
  259   2HA   GLY  33          1HA       GLY  33 -13.413  -7.926  12.371
  260    H    ASP  34           H        ASP  34 -11.744  -7.272  10.377
  261    HA   ASP  34           HA       ASP  34 -10.896  -4.506  10.914
  262   1HB   ASP  34          2HB       ASP  34  -9.104  -6.942  10.844
  263   2HB   ASP  34          1HB       ASP  34  -8.565  -5.277  11.029
  264    H    CYS  35           H        CYS  35  -9.424  -3.623   9.302
  265    HA   CYS  35           HA       CYS  35 -10.289  -4.195   6.651
  266   1HB   CYS  35          2HB       CYS  35  -8.048  -2.440   7.661
  267   2HB   CYS  35          1HB       CYS  35  -8.639  -2.455   6.002
  268    HG   CYS  35           HG       CYS  35 -10.062  -1.147   8.780
  269    H    GLU  36           H        GLU  36  -9.359  -5.362   5.060
  270    HA   GLU  36           HA       GLU  36  -6.909  -6.827   5.713
  271   1HB   GLU  36          2HB       GLU  36  -8.571  -7.806   3.501
  272   2HB   GLU  36          1HB       GLU  36  -7.763  -8.707   4.767
  273   1HG   GLU  36          2HG       GLU  36 -10.332  -7.174   5.139
  274   2HG   GLU  36          1HG       GLU  36 -10.230  -8.901   4.789
  275    H    TRP  37           H        TRP  37  -7.932  -4.343   3.843
  276    HA   TRP  37           HA       TRP  37  -7.057  -4.618   1.288
  277   1HB   TRP  37          2HB       TRP  37  -6.931  -2.352   1.166
  278   2HB   TRP  37          1HB       TRP  37  -8.023  -2.624   2.490
  279    HD1  TRP  37           HD       TRP  37  -5.470  -0.458   1.581
  280    HE1  TRP  37           1HE      TRP  37  -4.260   0.622   3.588
  281    HE3  TRP  37           3HE      TRP  37  -6.946  -3.658   5.252
  282    HZ2  TRP  37           2HZ      TRP  37  -3.952   0.109   6.341
  283    HZ3  TRP  37           3HZ      TRP  37  -6.143  -3.318   7.522
  284    HH2  TRP  37           HH       TRP  37  -4.672  -1.471   8.058
  285    H    VAL  38           H        VAL  38  -5.161  -4.690   0.152
  286    HA   VAL  38           HA       VAL  38  -2.747  -4.311   1.696
  287    HB   VAL  38           HB       VAL  38  -1.798  -6.283   0.298
  288   1HG1  VAL  38          1HG1      VAL  38  -3.090  -6.156   2.853
  289   2HG1  VAL  38          2HG1      VAL  38  -1.653  -7.060   2.378
  290   3HG1  VAL  38          3HG1      VAL  38  -3.255  -7.768   2.157
  291   1HG2  VAL  38          1HG2      VAL  38  -3.996  -6.406  -0.985
  292   2HG2  VAL  38          2HG2      VAL  38  -4.614  -7.254   0.431
  293   3HG2  VAL  38          3HG2      VAL  38  -3.254  -7.923  -0.473
  294    H    LYS  39           H        LYS  39  -0.902  -3.539   0.204
  295    HA   LYS  39           HA       LYS  39  -0.128  -2.399  -1.598
  296   1HB   LYS  39          2HB       LYS  39  -1.903  -4.266  -3.194
  297   2HB   LYS  39          1HB       LYS  39  -0.455  -3.452  -3.771
  298   1HG   LYS  39          2HG       LYS  39  -0.653  -5.702  -1.785
  299   2HG   LYS  39          1HG       LYS  39   0.123  -5.714  -3.370
  300   1HD   LYS  39          2HD       LYS  39   1.784  -4.093  -2.550
  301   2HD   LYS  39          1HD       LYS  39   0.997  -4.108  -0.975
  302   1HE   LYS  39          2HE       LYS  39   2.981  -5.541  -1.001
  303   2HE   LYS  39          1HE       LYS  39   1.508  -6.465  -0.710
  304   1HZ   LYS  39          1HZ       LYS  39   3.338  -7.157  -2.507
  305   2HZ   LYS  39          2HZ       LYS  39   2.324  -6.219  -3.483
  306   3HZ   LYS  39          3HZ       LYS  39   1.700  -7.556  -2.656
  307    H    GLY  40           H        GLY  40  -0.377  -0.725  -2.852
  308   1HA   GLY  40          2HA       GLY  40  -3.098   0.248  -3.369
  309   2HA   GLY  40          1HA       GLY  40  -1.883   1.293  -2.649
  310    H    VAL  41           H        VAL  41   0.294   0.964  -3.791
  311    HA   VAL  41           HA       VAL  41   0.273   2.376  -6.168
  312    HB   VAL  41           HB       VAL  41   2.325   1.991  -4.862
  313   1HG1  VAL  41          1HG1      VAL  41   2.284  -0.779  -6.063
  314   2HG1  VAL  41          2HG1      VAL  41   1.938  -0.395  -4.378
  315   3HG1  VAL  41          3HG1      VAL  41   3.546  -0.099  -5.034
  316   1HG2  VAL  41          1HG2      VAL  41   3.170   2.755  -6.784
  317   2HG2  VAL  41          2HG2      VAL  41   2.113   1.731  -7.756
  318   3HG2  VAL  41          3HG2      VAL  41   3.617   1.079  -7.106
  319    H    HIS  42           H        HIS  42   0.211  -1.090  -5.671
  320    HA   HIS  42           HA       HIS  42   0.057  -1.691  -8.496
  321   1HB   HIS  42          2HB       HIS  42  -0.553  -3.591  -6.230
  322   2HB   HIS  42          1HB       HIS  42   0.042  -3.975  -7.842
  323    HD1  HIS  42           1HD      HIS  42   2.577  -2.826  -8.272
  324    HD2  HIS  42           2HD      HIS  42   1.393  -3.679  -4.374
  325    HE1  HIS  42           1HE      HIS  42   4.699  -2.902  -6.926
  326    HE2  HIS  42           2HE      HIS  42   3.949  -3.296  -4.552
  327    H    VAL  43           H        VAL  43  -2.000  -1.455  -5.685
  328    HA   VAL  43           HA       VAL  43  -4.381  -2.233  -7.160
  329    HB   VAL  43           HB       VAL  43  -4.263  -1.325  -4.271
  330   1HG1  VAL  43          1HG1      VAL  43  -6.212  -3.221  -4.562
  331   2HG1  VAL  43          2HG1      VAL  43  -6.305  -2.350  -6.092
  332   3HG1  VAL  43          3HG1      VAL  43  -6.474  -1.477  -4.570
  333   1HG2  VAL  43          1HG2      VAL  43  -3.755  -3.460  -3.564
  334   2HG2  VAL  43          2HG2      VAL  43  -2.744  -3.335  -5.005
  335   3HG2  VAL  43          3HG2      VAL  43  -4.277  -4.207  -5.073
  336    H    ALA  44           H        ALA  44  -3.234   0.146  -8.133
  337    HA   ALA  44           HA       ALA  44  -3.781   2.292  -8.697
  338   1HB   ALA  44          1HB       ALA  44  -5.907   2.446  -9.351
  339   2HB   ALA  44          2HB       ALA  44  -6.517   2.253  -7.708
  340   3HB   ALA  44          3HB       ALA  44  -6.118   0.832  -8.674
  341    H    GLU  45           H        GLU  45  -2.330   2.690  -6.751
  342    HA   GLU  45           HA       GLU  45  -3.355   3.395  -4.263
  343   1HB   GLU  45          2HB       GLU  45  -1.069   3.124  -4.168
  344   2HB   GLU  45          1HB       GLU  45  -0.807   3.898  -5.721
  345   1HG   GLU  45          2HG       GLU  45  -0.848   6.035  -4.793
  346   2HG   GLU  45          1HG       GLU  45  -1.616   5.484  -3.306
  347    H    ASP  46           H        ASP  46  -2.160   5.691  -6.715
  348    HA   ASP  46           HA       ASP  46  -3.608   7.819  -5.430
  349   1HB   ASP  46          2HB       ASP  46  -1.366   8.203  -6.363
  350   2HB   ASP  46          1HB       ASP  46  -1.971   7.840  -7.975
  351    H    VAL  47           H        VAL  47  -5.114   5.582  -6.797
  352    HA   VAL  47           HA       VAL  47  -6.612   7.181  -8.758
  353    HB   VAL  47           HB       VAL  47  -6.526   4.171  -8.404
  354   1HG1  VAL  47          1HG1      VAL  47  -8.495   5.744  -9.585
  355   2HG1  VAL  47          2HG1      VAL  47  -8.260   4.011  -9.799
  356   3HG1  VAL  47          3HG1      VAL  47  -7.540   5.146 -10.940
  357   1HG2  VAL  47          1HG2      VAL  47  -5.474   4.416 -10.785
  358   2HG2  VAL  47          2HG2      VAL  47  -4.475   4.615  -9.346
  359   3HG2  VAL  47          3HG2      VAL  47  -5.054   6.032 -10.218
  360    H    ALA  48           H        ALA  48  -6.786   5.101  -5.940
  361    HA   ALA  48           HA       ALA  48  -9.666   5.557  -5.737
  362   1HB   ALA  48          1HB       ALA  48  -7.775   3.591  -4.583
  363   2HB   ALA  48          2HB       ALA  48  -9.366   3.354  -5.308
  364   3HB   ALA  48          3HB       ALA  48  -9.231   3.987  -3.668
  365    H    LYS  49           H        LYS  49  -6.669   6.597  -4.363
  366    HA   LYS  49           HA       LYS  49  -7.539   7.372  -1.835
  367   1HB   LYS  49          2HB       LYS  49  -5.590   8.633  -1.648
  368   2HB   LYS  49          1HB       LYS  49  -5.168   7.412  -2.828
  369   1HG   LYS  49          2HG       LYS  49  -4.248   9.288  -3.746
  370   2HG   LYS  49          1HG       LYS  49  -5.799   9.218  -4.570
  371   1HD   LYS  49          2HD       LYS  49  -6.702  10.927  -3.116
  372   2HD   LYS  49          1HD       LYS  49  -5.260  10.873  -2.104
  373   1HE   LYS  49          2HE       LYS  49  -5.360  11.721  -4.995
  374   2HE   LYS  49          1HE       LYS  49  -5.265  12.807  -3.611
  375   1HZ   LYS  49          1HZ       LYS  49  -3.075  12.633  -3.762
  376   2HZ   LYS  49          2HZ       LYS  49  -3.176  11.417  -4.934
  377   3HZ   LYS  49          3HZ       LYS  49  -3.200  11.012  -3.292
  378    H    ASP  50           H        ASP  50  -7.627   9.165  -4.880
  379    HA   ASP  50           HA       ASP  50  -8.679  11.479  -3.782
  380   1HB   ASP  50          2HB       ASP  50  -7.761  11.114  -6.154
  381   2HB   ASP  50          1HB       ASP  50  -9.337  10.442  -6.549
  382    H    TYR  51           H        TYR  51 -10.154   8.528  -4.771
  383    HA   TYR  51           HA       TYR  51 -12.861   9.357  -4.606
  384   1HB   TYR  51          2HB       TYR  51 -12.427   7.455  -5.899
  385   2HB   TYR  51          1HB       TYR  51 -11.419   6.776  -4.630
  386    HD1  TYR  51           1HD      TYR  51 -14.947   7.753  -5.291
  387    HD2  TYR  51           2HD      TYR  51 -12.304   5.094  -3.272
  388    HE1  TYR  51           1HE      TYR  51 -16.874   6.440  -4.495
  389    HE2  TYR  51           2HE      TYR  51 -14.222   3.762  -2.494
  390    HH   TYR  51           HH       TYR  51 -16.774   3.452  -3.483
  391    H    GLU  52           H        GLU  52 -10.728   7.518  -2.509
  392    HA   GLU  52           HA       GLU  52 -12.655   7.494  -0.350
  393   1HB   GLU  52          2HB       GLU  52 -10.080   6.181  -0.967
  394   2HB   GLU  52          1HB       GLU  52 -10.593   6.236   0.714
  395   1HG   GLU  52          2HG       GLU  52 -12.243   4.759   0.358
  396   2HG   GLU  52          1HG       GLU  52 -12.557   5.311  -1.273
  397    H    ASP  53           H        ASP  53  -9.195   8.186  -0.445
  398    HA   ASP  53           HA       ASP  53  -9.028   9.645   1.896
  399   1HB   ASP  53          2HB       ASP  53  -7.007   8.940   0.882
  400   2HB   ASP  53          1HB       ASP  53  -7.400   9.694  -0.659
  401    H    GLY  54           H        GLY  54 -10.334  10.531  -1.187
  402   1HA   GLY  54          2HA       GLY  54 -10.309  13.375  -0.578
  403   2HA   GLY  54          1HA       GLY  54 -10.860  12.638  -2.068
  404    H    LEU  55           H        LEU  55 -12.788  10.793  -0.959
  405    HA   LEU  55           HA       LEU  55 -14.822  12.763  -0.142
  406   1HB   LEU  55          2HB       LEU  55 -15.096  10.019  -1.338
  407   2HB   LEU  55          1HB       LEU  55 -16.435  11.023  -0.841
  408    HG   LEU  55           HG       LEU  55 -15.859  12.699  -2.509
  409   1HD1  LEU  55          1HD1      LEU  55 -14.134  11.702  -4.282
  410   2HD1  LEU  55          2HD1      LEU  55 -13.448  11.021  -2.809
  411   3HD1  LEU  55          3HD1      LEU  55 -13.647  12.764  -2.961
  412   1HD2  LEU  55          1HD2      LEU  55 -16.950  11.624  -4.149
  413   2HD2  LEU  55          2HD2      LEU  55 -17.082  10.337  -2.950
  414   3HD2  LEU  55          3HD2      LEU  55 -15.809  10.279  -4.171
  415    H    GLU  56           H        GLU  56 -14.175   9.354   0.436
  416    HA   GLU  56           HA       GLU  56 -15.453   9.490   3.022
  417   1HB   GLU  56          2HB       GLU  56 -14.086   7.251   1.572
  418   2HB   GLU  56          1HB       GLU  56 -15.029   7.068   3.043
  419   1HG   GLU  56          2HG       GLU  56 -16.815   6.736   1.777
  420   2HG   GLU  56          1HG       GLU  56 -16.681   8.403   1.226
  421    H    TYR  57           H        TYR  57 -13.342  11.158   3.196
  422    HA   TYR  57           HA       TYR  57 -10.851  10.121   3.859
  423   1HB   TYR  57          2HB       TYR  57 -11.149  12.497   3.570
  424   2HB   TYR  57          1HB       TYR  57 -12.268  12.567   4.929
  425    HD1  TYR  57           1HD      TYR  57  -9.098  10.664   4.895
  426    HD2  TYR  57           2HD      TYR  57 -11.110  14.156   6.260
  427    HE1  TYR  57           1HE      TYR  57  -7.224  11.145   6.409
  428    HE2  TYR  57           2HE      TYR  57  -9.236  14.648   7.776
  429    HH   TYR  57           HH       TYR  57  -6.964  12.476   8.658
  Start of MODEL   16
    1   1H    GLY   1          1HT       GLY   1 -18.956  13.218   8.747
    2   2H    GLY   1          2HT       GLY   1 -18.102  13.036   7.299
    3   3H    GLY   1          3HT       GLY   1 -18.517  14.581   7.846
    4   1HA   GLY   1          1HA       GLY   1 -16.156  14.051   8.217
    5   2HA   GLY   1          2HA       GLY   1 -17.036  14.431   9.691
    6    H    SER   2           H        SER   2 -17.016  11.440   7.789
    7    HA   SER   2           HA       SER   2 -15.310  10.012   9.557
    8   1HB   SER   2          2HB       SER   2 -18.285   9.501   9.817
    9   2HB   SER   2          1HB       SER   2 -17.021   8.481  10.505
   10    HG   SER   2           HG       SER   2 -16.322  10.481  11.603
   11    H    GLN   3           H        GLN   3 -17.973   9.835   7.250
   12    HA   GLN   3           HA       GLN   3 -16.483   8.238   5.433
   13   1HB   GLN   3          2HB       GLN   3 -17.957   6.244   5.475
   14   2HB   GLN   3          1HB       GLN   3 -17.019   6.435   6.948
   15   1HG   GLN   3          2HG       GLN   3 -19.045   5.900   7.829
   16   2HG   GLN   3          1HG       GLN   3 -19.184   7.656   7.791
   17   1HE2  GLN   3          1HE2      GLN   3 -20.741   4.856   7.123
   18   2HE2  GLN   3          2HE2      GLN   3 -21.882   5.420   5.955
   19    H    VAL   4           H        VAL   4 -17.583   7.963   3.399
   20    HA   VAL   4           HA       VAL   4 -19.896   9.756   3.193
   21    HB   VAL   4           HB       VAL   4 -17.816   9.096   1.098
   22   1HG1  VAL   4          1HG1      VAL   4 -19.033  10.986  -0.138
   23   2HG1  VAL   4          2HG1      VAL   4 -20.379  10.655   0.951
   24   3HG1  VAL   4          3HG1      VAL   4 -19.789   9.394  -0.132
   25   1HG2  VAL   4          1HG2      VAL   4 -16.774  10.629   2.439
   26   2HG2  VAL   4          2HG2      VAL   4 -18.286  11.387   2.940
   27   3HG2  VAL   4          3HG2      VAL   4 -17.628  11.707   1.335
   28    H    PHE   5           H        PHE   5 -19.022   7.715   0.498
   29    HA   PHE   5           HA       PHE   5 -21.584   6.768   0.144
   30   1HB   PHE   5          2HB       PHE   5 -18.920   5.901  -0.917
   31   2HB   PHE   5          1HB       PHE   5 -20.368   4.967  -1.285
   32    HD1  PHE   5           1HD      PHE   5 -18.886   8.347  -1.516
   33    HD2  PHE   5           2HD      PHE   5 -21.828   5.645  -2.984
   34    HE1  PHE   5           1HE      PHE   5 -19.417   9.918  -3.337
   35    HE2  PHE   5           2HE      PHE   5 -22.360   7.208  -4.809
   36    HZ   PHE   5           HZ       PHE   5 -21.178   9.317  -5.006
   37    H    GLU   6           H        GLU   6 -22.368   4.576   0.222
   38    HA   GLU   6           HA       GLU   6 -22.319   3.445   2.737
   39   1HB   GLU   6          2HB       GLU   6 -22.816   2.089   0.090
   40   2HB   GLU   6          1HB       GLU   6 -23.330   1.474   1.656
   41   1HG   GLU   6          2HG       GLU   6 -24.742   3.485   1.931
   42   2HG   GLU   6          1HG       GLU   6 -24.267   3.999   0.311
   43    H    TYR   7           H        TYR   7 -20.361   2.760  -0.087
   44    HA   TYR   7           HA       TYR   7 -18.349   1.787  -0.362
   45   1HB   TYR   7          2HB       TYR   7 -18.403   2.452   2.488
   46   2HB   TYR   7          1HB       TYR   7 -17.271   1.173   2.074
   47    HD1  TYR   7           1HD      TYR   7 -16.288   1.947  -0.549
   48    HD2  TYR   7           2HD      TYR   7 -17.181   4.407   2.802
   49    HE1  TYR   7           1HE      TYR   7 -14.678   3.594  -1.348
   50    HE2  TYR   7           2HE      TYR   7 -15.599   6.093   1.984
   51    HH   TYR   7           HH       TYR   7 -14.663   6.545  -0.731
   52    H    ALA   8           H        ALA   8 -20.119   0.103  -0.992
   53    HA   ALA   8           HA       ALA   8 -19.288  -2.451   0.181
   54   1HB   ALA   8          1HB       ALA   8 -21.733  -3.119  -0.684
   55   2HB   ALA   8          2HB       ALA   8 -22.048  -1.432  -0.278
   56   3HB   ALA   8          3HB       ALA   8 -21.446  -2.540   0.955
   57    H    GLU   9           H        GLU   9 -17.844  -1.563  -1.699
   58    HA   GLU   9           HA       GLU   9 -18.876  -2.029  -4.321
   59   1HB   GLU   9          2HB       GLU   9 -16.099  -1.844  -4.497
   60   2HB   GLU   9          1HB       GLU   9 -17.264  -0.606  -4.887
   61   1HG   GLU   9          2HG       GLU   9 -17.086  -0.142  -2.297
   62   2HG   GLU   9          1HG       GLU   9 -15.513  -0.947  -2.494
   63    H    VAL  10           H        VAL  10 -16.975  -3.654  -1.959
   64    HA   VAL  10           HA       VAL  10 -16.062  -5.728  -1.834
   65    HB   VAL  10           HB       VAL  10 -18.436  -6.055  -1.716
   66   1HG1  VAL  10          1HG1      VAL  10 -19.401  -7.349  -3.784
   67   2HG1  VAL  10          2HG1      VAL  10 -18.199  -6.401  -4.653
   68   3HG1  VAL  10          3HG1      VAL  10 -19.443  -5.588  -3.708
   69   1HG2  VAL  10          1HG2      VAL  10 -16.439  -7.979  -2.058
   70   2HG2  VAL  10          2HG2      VAL  10 -17.844  -8.584  -2.935
   71   3HG2  VAL  10          3HG2      VAL  10 -17.981  -8.176  -1.226
   72    H    ASP  11           H        ASP  11 -14.709  -4.474  -3.585
   73    HA   ASP  11           HA       ASP  11 -13.110  -6.035  -4.946
   74   1HB   ASP  11          2HB       ASP  11 -14.819  -7.185  -6.180
   75   2HB   ASP  11          1HB       ASP  11 -15.512  -5.673  -6.756
   76    H    GLU  12           H        GLU  12 -14.724  -3.010  -4.853
   77    HA   GLU  12           HA       GLU  12 -12.778  -1.801  -6.742
   78   1HB   GLU  12          2HB       GLU  12 -15.373  -0.623  -5.860
   79   2HB   GLU  12          1HB       GLU  12 -14.405  -0.157  -7.252
   80   1HG   GLU  12          2HG       GLU  12 -15.951  -2.719  -6.913
   81   2HG   GLU  12          1HG       GLU  12 -16.366  -1.370  -7.968
   82    H    ILE  13           H        ILE  13 -11.629  -1.944  -4.433
   83    HA   ILE  13           HA       ILE  13 -10.934  -0.955  -2.438
   84    HB   ILE  13           HB       ILE  13  -9.861   1.259  -2.904
   85   1HG1  ILE  13          2HG1      ILE  13 -11.618   1.902  -4.649
   86   2HG1  ILE  13          1HG1      ILE  13  -9.948   2.275  -5.037
   87   1HG2  ILE  13          1HG2      ILE  13  -9.188  -0.686  -5.083
   88   2HG2  ILE  13          2HG2      ILE  13  -8.922  -1.077  -3.387
   89   3HG2  ILE  13          3HG2      ILE  13  -8.110   0.312  -4.108
   90   1HD1  ILE  13          1HD1      ILE  13 -10.584  -0.322  -6.030
   91   2HD1  ILE  13          2HD1      ILE  13 -10.102   1.125  -6.915
   92   3HD1  ILE  13          3HD1      ILE  13 -11.805   0.833  -6.562
   93    H    VAL  14           H        VAL  14 -11.907  -0.364  -0.754
   94    HA   VAL  14           HA       VAL  14 -14.002   1.653  -0.786
   95    HB   VAL  14           HB       VAL  14 -13.592  -0.868   0.572
   96   1HG1  VAL  14          1HG1      VAL  14 -14.586  -0.359   2.728
   97   2HG1  VAL  14          2HG1      VAL  14 -14.659   1.353   2.311
   98   3HG1  VAL  14          3HG1      VAL  14 -13.096   0.566   2.531
   99   1HG2  VAL  14          1HG2      VAL  14 -15.795  -1.131   0.301
  100   2HG2  VAL  14          2HG2      VAL  14 -15.537   0.176  -0.850
  101   3HG2  VAL  14          3HG2      VAL  14 -16.148   0.527   0.751
  102    H    GLU  15           H        GLU  15 -10.865   0.782   0.662
  103    HA   GLU  15           HA       GLU  15 -10.963   3.482   1.854
  104   1HB   GLU  15          2HB       GLU  15 -11.017   1.148   3.358
  105   2HB   GLU  15          1HB       GLU  15  -9.339   1.683   3.440
  106   1HG   GLU  15          2HG       GLU  15 -10.027   3.872   4.209
  107   2HG   GLU  15          1HG       GLU  15 -11.720   3.400   4.083
  108    H    LYS  16           H        LYS  16  -8.458   3.512   3.079
  109    HA   LYS  16           HA       LYS  16  -6.287   2.721   1.501
  110   1HB   LYS  16          2HB       LYS  16  -5.751   4.716   0.287
  111   2HB   LYS  16          1HB       LYS  16  -7.371   4.206  -0.167
  112   1HG   LYS  16          2HG       LYS  16  -8.169   6.194   0.380
  113   2HG   LYS  16          1HG       LYS  16  -7.582   5.980   2.029
  114   1HD   LYS  16          2HD       LYS  16  -6.022   7.127  -0.281
  115   2HD   LYS  16          1HD       LYS  16  -6.693   8.021   1.082
  116   1HE   LYS  16          2HE       LYS  16  -5.268   6.723   2.604
  117   2HE   LYS  16          1HE       LYS  16  -4.551   5.910   1.215
  118   1HZ   LYS  16          1HZ       LYS  16  -3.121   7.569   1.051
  119   2HZ   LYS  16          2HZ       LYS  16  -3.852   8.385   2.340
  120   3HZ   LYS  16          3HZ       LYS  16  -4.390   8.651   0.758
  121    H    ARG  17           H        ARG  17  -4.244   3.932   2.037
  122    HA   ARG  17           HA       ARG  17  -3.814   6.026   3.645
  123   1HB   ARG  17          2HB       ARG  17  -3.579   5.051   5.972
  124   2HB   ARG  17          1HB       ARG  17  -5.226   5.306   5.424
  125   1HG   ARG  17          2HG       ARG  17  -5.402   2.924   4.872
  126   2HG   ARG  17          1HG       ARG  17  -3.750   2.682   5.438
  127   1HD   ARG  17          2HD       ARG  17  -5.381   2.037   7.139
  128   2HD   ARG  17          1HD       ARG  17  -4.396   3.401   7.673
  129    HE   ARG  17           HE       ARG  17  -6.717   4.413   6.494
  130   1HH1  ARG  17          1HH1      ARG  17  -5.766   2.559   9.283
  131   2HH1  ARG  17          2HH1      ARG  17  -7.082   3.116  10.263
  132   1HH2  ARG  17          1HH2      ARG  17  -8.454   5.152   7.775
  133   2HH2  ARG  17          2HH2      ARG  17  -8.610   4.589   9.407
  134    H    GLY  18           H        GLY  18  -1.676   6.265   3.248
  135   1HA   GLY  18          2HA       GLY  18   0.369   4.724   4.276
  136   2HA   GLY  18          1HA       GLY  18  -0.017   3.993   2.732
  137    H    LYS  19           H        LYS  19   1.139   4.769   1.025
  138    HA   LYS  19           HA       LYS  19   2.218   6.234  -0.364
  139   1HB   LYS  19          2HB       LYS  19   0.320   7.706  -0.020
  140   2HB   LYS  19          1HB       LYS  19   1.041   8.319   1.461
  141   1HG   LYS  19          2HG       LYS  19   1.354   9.903  -0.328
  142   2HG   LYS  19          1HG       LYS  19   2.911   9.232   0.165
  143   1HD   LYS  19          2HD       LYS  19   2.798   9.343  -2.249
  144   2HD   LYS  19          1HD       LYS  19   2.797   7.655  -1.731
  145   1HE   LYS  19          2HE       LYS  19   1.168   8.027  -3.507
  146   2HE   LYS  19          1HE       LYS  19   0.371   7.571  -2.001
  147   1HZ   LYS  19          1HZ       LYS  19  -0.179   9.770  -3.549
  148   2HZ   LYS  19          2HZ       LYS  19   0.645  10.393  -2.210
  149   3HZ   LYS  19          3HZ       LYS  19  -0.752   9.467  -1.984
  150    H    GLY  20           H        GLY  20   2.686   8.441   2.379
  151   1HA   GLY  20          2HA       GLY  20   5.404   8.740   1.973
  152   2HA   GLY  20          1HA       GLY  20   4.615   8.972   3.528
  153    H    LYS  21           H        LYS  21   3.680   6.131   3.425
  154    HA   LYS  21           HA       LYS  21   6.176   4.676   3.872
  155   1HB   LYS  21          2HB       LYS  21   3.904   5.093   5.800
  156   2HB   LYS  21          1HB       LYS  21   5.111   3.820   6.011
  157   1HG   LYS  21          2HG       LYS  21   6.869   5.541   6.105
  158   2HG   LYS  21          1HG       LYS  21   5.632   6.790   5.944
  159   1HD   LYS  21          2HD       LYS  21   6.277   6.505   8.277
  160   2HD   LYS  21          1HD       LYS  21   4.596   6.028   8.029
  161   1HE   LYS  21          2HE       LYS  21   5.767   4.442   9.473
  162   2HE   LYS  21          1HE       LYS  21   5.259   3.683   7.964
  163   1HZ   LYS  21          1HZ       LYS  21   7.994   4.684   8.549
  164   2HZ   LYS  21          2HZ       LYS  21   7.503   3.924   7.120
  165   3HZ   LYS  21          3HZ       LYS  21   7.518   3.061   8.575
  166    H    ASP  22           H        ASP  22   4.818   4.070   1.611
  167    HA   ASP  22           HA       ASP  22   3.844   2.360   0.499
  168   1HB   ASP  22          2HB       ASP  22   3.809   0.957   3.179
  169   2HB   ASP  22          1HB       ASP  22   3.508   0.213   1.617
  170    H    VAL  23           H        VAL  23   2.092   2.427  -0.266
  171    HA   VAL  23           HA       VAL  23  -0.337   2.936   1.287
  172    HB   VAL  23           HB       VAL  23  -0.829   3.338  -1.422
  173   1HG1  VAL  23          1HG1      VAL  23  -2.071   4.819  -0.345
  174   2HG1  VAL  23          2HG1      VAL  23  -0.647   5.856  -0.297
  175   3HG1  VAL  23          3HG1      VAL  23  -1.004   4.783   1.056
  176   1HG2  VAL  23          1HG2      VAL  23   0.802   5.387  -1.681
  177   2HG2  VAL  23          2HG2      VAL  23   1.242   3.775  -2.239
  178   3HG2  VAL  23          3HG2      VAL  23   1.854   4.369  -0.700
  179    H    GLU  24           H        GLU  24  -2.276   2.203   0.329
  180    HA   GLU  24           HA       GLU  24  -2.431   0.123  -1.509
  181   1HB   GLU  24          2HB       GLU  24  -3.254  -1.490   0.529
  182   2HB   GLU  24          1HB       GLU  24  -1.680  -1.558  -0.227
  183   1HG   GLU  24          2HG       GLU  24  -0.675  -0.292   1.505
  184   2HG   GLU  24          1HG       GLU  24  -2.238   0.091   2.203
  185    H    TYR  25           H        TYR  25  -4.452  -0.385  -2.040
  186    HA   TYR  25           HA       TYR  25  -6.647   0.905  -0.591
  187   1HB   TYR  25          2HB       TYR  25  -6.286   0.988  -3.606
  188   2HB   TYR  25          1HB       TYR  25  -7.537   1.798  -2.652
  189    HD1  TYR  25           1HD      TYR  25  -3.851   1.545  -2.891
  190    HD2  TYR  25           2HD      TYR  25  -7.213   3.979  -2.082
  191    HE1  TYR  25           1HE      TYR  25  -2.371   3.430  -2.549
  192    HE2  TYR  25           2HE      TYR  25  -5.726   5.890  -1.728
  193    HH   TYR  25           HH       TYR  25  -2.310   5.751  -2.435
  194    H    LEU  26           H        LEU  26  -7.828  -0.701   0.032
  195    HA   LEU  26           HA       LEU  26  -9.201  -2.418  -1.669
  196   1HB   LEU  26          2HB       LEU  26  -7.142  -3.412  -2.196
  197   2HB   LEU  26          1HB       LEU  26  -6.655  -3.489  -0.523
  198    HG   LEU  26           HG       LEU  26  -8.730  -5.037  -0.336
  199   1HD1  LEU  26          1HD1      LEU  26  -8.475  -6.416  -2.649
  200   2HD1  LEU  26          2HD1      LEU  26  -8.392  -4.746  -3.206
  201   3HD1  LEU  26          3HD1      LEU  26  -9.785  -5.296  -2.275
  202   1HD2  LEU  26          1HD2      LEU  26  -5.996  -5.679  -1.334
  203   2HD2  LEU  26          2HD2      LEU  26  -7.179  -6.970  -1.118
  204   3HD2  LEU  26          3HD2      LEU  26  -6.697  -5.976   0.255
  205    H    VAL  27           H        VAL  27 -10.725  -1.527  -0.054
  206    HA   VAL  27           HA       VAL  27 -10.674  -3.212   2.311
  207    HB   VAL  27           HB       VAL  27 -11.257  -0.295   2.260
  208   1HG1  VAL  27          1HG1      VAL  27 -11.339  -0.820   4.874
  209   2HG1  VAL  27          2HG1      VAL  27 -11.960  -2.356   4.273
  210   3HG1  VAL  27          3HG1      VAL  27 -12.784  -0.852   3.864
  211   1HG2  VAL  27          1HG2      VAL  27  -8.905  -0.806   2.325
  212   2HG2  VAL  27          2HG2      VAL  27  -9.159  -1.901   3.685
  213   3HG2  VAL  27          3HG2      VAL  27  -9.418  -0.173   3.890
  214    H    ARG  28           H        ARG  28 -12.041  -3.647  -0.042
  215    HA   ARG  28           HA       ARG  28 -14.833  -3.198   0.714
  216   1HB   ARG  28          2HB       ARG  28 -14.951  -3.519  -1.967
  217   2HB   ARG  28          1HB       ARG  28 -14.888  -1.996  -1.136
  218   1HG   ARG  28          2HG       ARG  28 -13.406  -2.091  -3.044
  219   2HG   ARG  28          1HG       ARG  28 -12.523  -1.787  -1.580
  220   1HD   ARG  28          2HD       ARG  28 -11.779  -4.136  -1.562
  221   2HD   ARG  28          1HD       ARG  28 -12.712  -4.424  -2.997
  222    HE   ARG  28           HE       ARG  28 -10.510  -2.523  -3.054
  223   1HH1  ARG  28          1HH1      ARG  28 -11.629  -5.690  -3.887
  224   2HH1  ARG  28          2HH1      ARG  28 -10.576  -5.848  -5.245
  225   1HH2  ARG  28          1HH2      ARG  28  -9.094  -2.720  -4.810
  226   2HH2  ARG  28          2HH2      ARG  28  -9.125  -4.167  -5.763
  227    H    TRP  29           H        TRP  29 -12.969  -5.318  -1.316
  228    HA   TRP  29           HA       TRP  29 -14.729  -7.080  -2.075
  229   1HB   TRP  29          2HB       TRP  29 -12.860  -8.669  -2.363
  230   2HB   TRP  29          1HB       TRP  29 -12.553  -7.062  -2.984
  231    HD1  TRP  29           HD       TRP  29 -10.194  -9.012  -2.558
  232    HE1  TRP  29           1HE      TRP  29  -8.311  -8.555  -0.867
  233    HE3  TRP  29           3HE      TRP  29 -12.553  -5.644   0.536
  234    HZ2  TRP  29           2HZ      TRP  29  -7.844  -6.985   1.429
  235    HZ3  TRP  29           3HZ      TRP  29 -11.361  -4.771   2.436
  236    HH2  TRP  29           HH       TRP  29  -9.050  -5.393   2.865
  237    H    LYS  30           H        LYS  30 -12.619  -8.453   0.208
  238    HA   LYS  30           HA       LYS  30 -14.738  -9.999   1.329
  239   1HB   LYS  30          2HB       LYS  30 -12.758 -11.087   2.592
  240   2HB   LYS  30          1HB       LYS  30 -12.923 -11.362   0.866
  241   1HG   LYS  30          2HG       LYS  30 -11.204  -9.750   0.390
  242   2HG   LYS  30          1HG       LYS  30 -11.097  -9.299   2.089
  243   1HD   LYS  30          2HD       LYS  30 -10.454 -12.010   0.928
  244   2HD   LYS  30          1HD       LYS  30  -9.278 -10.801   1.445
  245   1HE   LYS  30          2HE       LYS  30 -10.183 -10.943   3.734
  246   2HE   LYS  30          1HE       LYS  30 -11.296 -12.201   3.198
  247   1HZ   LYS  30          1HZ       LYS  30  -8.368 -12.472   2.886
  248   2HZ   LYS  30          2HZ       LYS  30  -9.547 -13.682   2.825
  249   3HZ   LYS  30          3HZ       LYS  30  -9.164 -12.951   4.300
  250    H    ASP  31           H        ASP  31 -12.242  -9.511   3.597
  251    HA   ASP  31           HA       ASP  31 -12.271  -8.697   5.699
  252   1HB   ASP  31          2HB       ASP  31 -12.428  -6.317   5.836
  253   2HB   ASP  31          1HB       ASP  31 -11.745  -6.714   4.259
  254    H    GLY  32           H        GLY  32 -13.620  -7.396   7.351
  255   1HA   GLY  32          2HA       GLY  32 -16.409  -7.280   7.254
  256   2HA   GLY  32          1HA       GLY  32 -15.965  -8.861   7.890
  257    H    GLY  33           H        GLY  33 -14.014  -8.601   9.535
  258   1HA   GLY  33          2HA       GLY  33 -15.037  -6.847  11.633
  259   2HA   GLY  33          1HA       GLY  33 -13.837  -8.124  11.829
  260    H    ASP  34           H        ASP  34 -12.094  -7.434   9.794
  261    HA   ASP  34           HA       ASP  34 -11.140  -4.750  10.511
  262   1HB   ASP  34          2HB       ASP  34  -9.442  -7.252  10.342
  263   2HB   ASP  34          1HB       ASP  34  -8.827  -5.618  10.584
  264    H    CYS  35           H        CYS  35  -9.338  -4.061   8.946
  265    HA   CYS  35           HA       CYS  35 -10.301  -4.587   6.250
  266   1HB   CYS  35          2HB       CYS  35  -8.254  -2.589   7.229
  267   2HB   CYS  35          1HB       CYS  35  -8.925  -2.665   5.604
  268    HG   CYS  35           HG       CYS  35 -11.592  -2.191   6.615
  269    H    GLU  36           H        GLU  36  -9.188  -5.621   4.674
  270    HA   GLU  36           HA       GLU  36  -6.565  -6.757   5.397
  271   1HB   GLU  36          2HB       GLU  36  -8.155  -7.856   3.154
  272   2HB   GLU  36          1HB       GLU  36  -7.077  -8.690   4.261
  273   1HG   GLU  36          2HG       GLU  36  -9.866  -7.732   4.861
  274   2HG   GLU  36          1HG       GLU  36  -9.364  -9.398   4.580
  275    H    TRP  37           H        TRP  37  -7.438  -4.191   3.880
  276    HA   TRP  37           HA       TRP  37  -6.799  -4.321   1.203
  277   1HB   TRP  37          2HB       TRP  37  -6.626  -2.047   1.262
  278   2HB   TRP  37          1HB       TRP  37  -7.604  -2.367   2.668
  279    HD1  TRP  37           HD       TRP  37  -4.552  -0.595   1.597
  280    HE1  TRP  37           1HE      TRP  37  -3.325   0.374   3.663
  281    HE3  TRP  37           3HE      TRP  37  -7.029  -3.064   5.325
  282    HZ2  TRP  37           2HZ      TRP  37  -3.396   0.086   6.454
  283    HZ3  TRP  37           3HZ      TRP  37  -6.382  -2.678   7.650
  284    HH2  TRP  37           HH       TRP  37  -4.597  -1.124   8.204
  285    H    VAL  38           H        VAL  38  -4.968  -4.402   0.017
  286    HA   VAL  38           HA       VAL  38  -2.409  -4.207   1.338
  287    HB   VAL  38           HB       VAL  38  -2.806  -6.553  -0.466
  288   1HG1  VAL  38          1HG1      VAL  38  -0.843  -6.028   1.762
  289   2HG1  VAL  38          2HG1      VAL  38  -0.525  -5.806   0.042
  290   3HG1  VAL  38          3HG1      VAL  38  -0.848  -7.419   0.676
  291   1HG2  VAL  38          1HG2      VAL  38  -3.432  -6.406   2.470
  292   2HG2  VAL  38          2HG2      VAL  38  -2.959  -7.917   1.693
  293   3HG2  VAL  38          3HG2      VAL  38  -4.412  -7.073   1.161
  294    H    LYS  39           H        LYS  39  -0.679  -3.785  -0.144
  295    HA   LYS  39           HA       LYS  39   0.266  -2.639  -1.859
  296   1HB   LYS  39          2HB       LYS  39  -1.519  -4.593  -3.285
  297   2HB   LYS  39          1HB       LYS  39  -0.374  -3.571  -4.140
  298   1HG   LYS  39          2HG       LYS  39   1.451  -4.568  -2.815
  299   2HG   LYS  39          1HG       LYS  39   0.274  -5.641  -2.054
  300   1HD   LYS  39          2HD       LYS  39  -0.276  -6.594  -4.240
  301   2HD   LYS  39          1HD       LYS  39   0.884  -5.505  -5.008
  302   1HE   LYS  39          2HE       LYS  39   1.495  -7.666  -2.995
  303   2HE   LYS  39          1HE       LYS  39   1.878  -7.695  -4.715
  304   1HZ   LYS  39          1HZ       LYS  39   3.185  -5.566  -4.190
  305   2HZ   LYS  39          2HZ       LYS  39   3.851  -7.051  -3.729
  306   3HZ   LYS  39          3HZ       LYS  39   3.096  -6.071  -2.577
  307    H    GLY  40           H        GLY  40   0.125  -0.915  -3.177
  308   1HA   GLY  40          2HA       GLY  40  -2.581   0.188  -3.616
  309   2HA   GLY  40          1HA       GLY  40  -1.236   1.187  -3.073
  310    H    VAL  41           H        VAL  41   0.803   0.739  -4.534
  311    HA   VAL  41           HA       VAL  41   0.404   1.956  -6.980
  312    HB   VAL  41           HB       VAL  41   2.637   1.637  -5.960
  313   1HG1  VAL  41          1HG1      VAL  41   2.069  -0.872  -5.507
  314   2HG1  VAL  41          2HG1      VAL  41   3.733  -0.387  -5.835
  315   3HG1  VAL  41          3HG1      VAL  41   2.760  -1.115  -7.113
  316   1HG2  VAL  41          1HG2      VAL  41   3.132   0.385  -8.546
  317   2HG2  VAL  41          2HG2      VAL  41   3.594   1.981  -7.954
  318   3HG2  VAL  41          3HG2      VAL  41   1.986   1.723  -8.630
  319    H    HIS  42           H        HIS  42   0.306  -1.443  -6.136
  320    HA   HIS  42           HA       HIS  42  -0.153  -2.313  -8.842
  321   1HB   HIS  42          2HB       HIS  42   0.945  -4.007  -7.795
  322   2HB   HIS  42          1HB       HIS  42   0.382  -3.521  -6.205
  323    HD1  HIS  42           1HD      HIS  42  -0.999  -5.338  -9.263
  324    HD2  HIS  42           2HD      HIS  42  -1.390  -5.209  -5.121
  325    HE1  HIS  42           1HE      HIS  42  -2.578  -7.208  -8.685
  326    HE2  HIS  42           2HE      HIS  42  -2.769  -7.145  -6.170
  327    H    VAL  43           H        VAL  43  -1.980  -1.814  -5.871
  328    HA   VAL  43           HA       VAL  43  -4.463  -2.607  -7.177
  329    HB   VAL  43           HB       VAL  43  -4.188  -1.614  -4.332
  330   1HG1  VAL  43          1HG1      VAL  43  -6.184  -3.168  -4.089
  331   2HG1  VAL  43          2HG1      VAL  43  -6.237  -3.219  -5.851
  332   3HG1  VAL  43          3HG1      VAL  43  -6.449  -1.686  -5.005
  333   1HG2  VAL  43          1HG2      VAL  43  -2.659  -3.401  -4.391
  334   2HG2  VAL  43          2HG2      VAL  43  -3.677  -4.355  -5.471
  335   3HG2  VAL  43          3HG2      VAL  43  -4.158  -4.111  -3.792
  336    H    ALA  44           H        ALA  44  -3.313  -0.274  -8.275
  337    HA   ALA  44           HA       ALA  44  -3.862   1.858  -8.877
  338   1HB   ALA  44          1HB       ALA  44  -6.027   1.980  -9.383
  339   2HB   ALA  44          2HB       ALA  44  -6.464   2.089  -7.678
  340   3HB   ALA  44          3HB       ALA  44  -6.284   0.509  -8.444
  341    H    GLU  45           H        GLU  45  -2.228   2.438  -7.259
  342    HA   GLU  45           HA       GLU  45  -2.827   3.085  -4.627
  343   1HB   GLU  45          2HB       GLU  45  -0.550   2.909  -5.048
  344   2HB   GLU  45          1HB       GLU  45  -0.641   3.861  -6.518
  345   1HG   GLU  45          2HG       GLU  45  -0.645   5.881  -5.348
  346   2HG   GLU  45          1HG       GLU  45  -1.084   5.113  -3.827
  347    H    ASP  46           H        ASP  46  -1.875   5.555  -6.915
  348    HA   ASP  46           HA       ASP  46  -3.265   7.592  -5.534
  349   1HB   ASP  46          2HB       ASP  46  -2.569   9.051  -7.392
  350   2HB   ASP  46          1HB       ASP  46  -1.236   8.056  -6.810
  351    H    VAL  47           H        VAL  47  -4.431   5.259  -7.659
  352    HA   VAL  47           HA       VAL  47  -6.427   6.917  -8.935
  353    HB   VAL  47           HB       VAL  47  -6.144   3.906  -8.842
  354   1HG1  VAL  47          1HG1      VAL  47  -7.613   4.969 -11.091
  355   2HG1  VAL  47          2HG1      VAL  47  -8.370   5.423  -9.563
  356   3HG1  VAL  47          3HG1      VAL  47  -8.079   3.723  -9.931
  357   1HG2  VAL  47          1HG2      VAL  47  -4.773   5.938 -10.348
  358   2HG2  VAL  47          2HG2      VAL  47  -5.672   4.871 -11.425
  359   3HG2  VAL  47          3HG2      VAL  47  -4.493   4.197 -10.301
  360    H    ALA  48           H        ALA  48  -6.188   4.656  -6.282
  361    HA   ALA  48           HA       ALA  48  -9.015   4.746  -5.706
  362   1HB   ALA  48          1HB       ALA  48  -8.183   3.394  -3.665
  363   2HB   ALA  48          2HB       ALA  48  -6.653   3.351  -4.543
  364   3HB   ALA  48          3HB       ALA  48  -8.100   2.669  -5.271
  365    H    LYS  49           H        LYS  49  -6.085   6.299  -4.535
  366    HA   LYS  49           HA       LYS  49  -7.090   7.149  -2.063
  367   1HB   LYS  49          2HB       LYS  49  -5.229   8.599  -1.894
  368   2HB   LYS  49          1HB       LYS  49  -4.682   7.172  -2.752
  369   1HG   LYS  49          2HG       LYS  49  -3.691   8.760  -4.011
  370   2HG   LYS  49          1HG       LYS  49  -5.231   8.667  -4.861
  371   1HD   LYS  49          2HD       LYS  49  -6.012  10.658  -3.882
  372   2HD   LYS  49          1HD       LYS  49  -4.800  10.604  -2.606
  373   1HE   LYS  49          2HE       LYS  49  -4.359  12.320  -4.352
  374   2HE   LYS  49          1HE       LYS  49  -3.057  11.150  -4.150
  375   1HZ   LYS  49          1HZ       LYS  49  -4.800  10.159  -6.089
  376   2HZ   LYS  49          2HZ       LYS  49  -3.209  10.692  -6.294
  377   3HZ   LYS  49          3HZ       LYS  49  -4.492  11.777  -6.476
  378    H    ASP  50           H        ASP  50  -7.097   8.915  -5.155
  379    HA   ASP  50           HA       ASP  50  -8.312  11.196  -4.104
  380   1HB   ASP  50          2HB       ASP  50  -8.526  10.091  -6.885
  381   2HB   ASP  50          1HB       ASP  50  -8.979  11.722  -6.420
  382    H    TYR  51           H        TYR  51  -9.584   8.148  -5.012
  383    HA   TYR  51           HA       TYR  51 -12.289   8.843  -5.250
  384   1HB   TYR  51          2HB       TYR  51 -11.391   6.763  -6.100
  385   2HB   TYR  51          1HB       TYR  51 -11.001   6.286  -4.457
  386    HD1  TYR  51           1HD      TYR  51 -13.516   6.300  -7.001
  387    HD2  TYR  51           2HD      TYR  51 -12.902   5.967  -2.796
  388    HE1  TYR  51           1HE      TYR  51 -15.758   5.321  -6.761
  389    HE2  TYR  51           2HE      TYR  51 -15.153   4.992  -2.553
  390    HH   TYR  51           HH       TYR  51 -16.932   3.793  -5.092
  391    H    GLU  52           H        GLU  52 -10.531   7.337  -2.568
  392    HA   GLU  52           HA       GLU  52 -12.830   7.852  -0.843
  393   1HB   GLU  52          2HB       GLU  52 -12.178   5.563  -0.941
  394   2HB   GLU  52          1HB       GLU  52 -10.533   5.978  -0.536
  395   1HG   GLU  52          2HG       GLU  52 -12.793   6.585   1.328
  396   2HG   GLU  52          1HG       GLU  52 -12.020   5.006   1.300
  397    H    ASP  53           H        ASP  53  -9.310   8.205  -0.778
  398    HA   ASP  53           HA       ASP  53  -8.703   9.134   1.629
  399   1HB   ASP  53          2HB       ASP  53  -7.214   9.087  -0.397
  400   2HB   ASP  53          1HB       ASP  53  -7.870  10.665  -0.834
  401    H    GLY  54           H        GLY  54 -10.618  10.957  -0.689
  402   1HA   GLY  54          2HA       GLY  54 -10.737  13.297   1.035
  403   2HA   GLY  54          1HA       GLY  54 -11.545  13.099  -0.516
  404    H    LEU  55           H        LEU  55 -12.915  10.750  -0.089
  405    HA   LEU  55           HA       LEU  55 -15.229  11.624   1.266
  406   1HB   LEU  55          2HB       LEU  55 -14.363   8.976   0.153
  407   2HB   LEU  55          1HB       LEU  55 -15.898   9.169   0.974
  408    HG   LEU  55           HG       LEU  55 -16.662  10.741  -0.686
  409   1HD1  LEU  55          1HD1      LEU  55 -13.859  10.546  -1.751
  410   2HD1  LEU  55          2HD1      LEU  55 -14.728  11.983  -1.217
  411   3HD1  LEU  55          3HD1      LEU  55 -15.205  11.165  -2.705
  412   1HD2  LEU  55          1HD2      LEU  55 -17.201   9.157  -2.176
  413   2HD2  LEU  55          2HD2      LEU  55 -16.286   8.080  -1.122
  414   3HD2  LEU  55          3HD2      LEU  55 -15.514   8.789  -2.541
  415    H    GLU  56           H        GLU  56 -13.968   8.443   2.073
  416    HA   GLU  56           HA       GLU  56 -14.527   8.924   4.864
  417   1HB   GLU  56          2HB       GLU  56 -15.109   6.785   3.736
  418   2HB   GLU  56          1HB       GLU  56 -13.394   6.459   3.530
  419   1HG   GLU  56          2HG       GLU  56 -13.096   6.391   5.940
  420   2HG   GLU  56          1HG       GLU  56 -14.798   6.783   6.173
  421    H    TYR  57           H        TYR  57 -12.617  10.668   4.363
  422    HA   TYR  57           HA       TYR  57  -9.959   9.933   4.376
  423   1HB   TYR  57          2HB       TYR  57  -9.482  12.105   5.357
  424   2HB   TYR  57          1HB       TYR  57 -10.769  12.261   4.166
  425    HD1  TYR  57           1HD      TYR  57 -10.327  11.733   7.845
  426    HD2  TYR  57           2HD      TYR  57 -12.637  13.494   4.736
  427    HE1  TYR  57           1HE      TYR  57 -11.746  12.826   9.527
  428    HE2  TYR  57           2HE      TYR  57 -14.061  14.595   6.411
  429    HH   TYR  57           HH       TYR  57 -13.596  15.333   9.023
  Start of MODEL   17
    1   1H    GLY   1          1HT       GLY   1 -21.370   8.915   9.870
    2   2H    GLY   1          2HT       GLY   1 -20.588  10.062   8.903
    3   3H    GLY   1          3HT       GLY   1 -21.051  10.460  10.480
    4   1HA   GLY   1          1HA       GLY   1 -18.632  10.000  10.206
    5   2HA   GLY   1          2HA       GLY   1 -19.445   9.049  11.440
    6    H    SER   2           H        SER   2 -17.077   8.713   9.439
    7    HA   SER   2           HA       SER   2 -16.038   6.967   8.418
    8   1HB   SER   2          2HB       SER   2 -16.595   5.723  10.442
    9   2HB   SER   2          1HB       SER   2 -18.195   5.354   9.799
   10    HG   SER   2           HG       SER   2 -15.910   4.634   8.336
   11    H    GLN   3           H        GLN   3 -16.032   6.284   6.390
   12    HA   GLN   3           HA       GLN   3 -16.677   6.038   4.232
   13   1HB   GLN   3          2HB       GLN   3 -18.415   4.337   3.840
   14   2HB   GLN   3          1HB       GLN   3 -17.237   3.834   5.042
   15   1HG   GLN   3          2HG       GLN   3 -18.797   4.321   6.820
   16   2HG   GLN   3          1HG       GLN   3 -19.965   4.942   5.658
   17   1HE2  GLN   3          1HE2      GLN   3 -18.453   2.294   4.262
   18   2HE2  GLN   3          2HE2      GLN   3 -19.600   1.088   4.703
   19    H    VAL   4           H        VAL   4 -17.453   7.555   2.929
   20    HA   VAL   4           HA       VAL   4 -19.567   9.273   3.680
   21    HB   VAL   4           HB       VAL   4 -18.161   8.856   1.026
   22   1HG1  VAL   4          1HG1      VAL   4 -20.106   9.739   0.185
   23   2HG1  VAL   4          2HG1      VAL   4 -19.289  11.231   0.652
   24   3HG1  VAL   4          3HG1      VAL   4 -20.530  10.540   1.698
   25   1HG2  VAL   4          1HG2      VAL   4 -17.095  10.941   1.555
   26   2HG2  VAL   4          2HG2      VAL   4 -16.911   9.849   2.925
   27   3HG2  VAL   4          3HG2      VAL   4 -18.101  11.148   2.985
   28    H    PHE   5           H        PHE   5 -19.648   7.550   0.595
   29    HA   PHE   5           HA       PHE   5 -22.431   7.358   0.578
   30   1HB   PHE   5          2HB       PHE   5 -20.621   7.225  -1.342
   31   2HB   PHE   5          1HB       PHE   5 -20.681   5.500  -1.003
   32    HD1  PHE   5           1HD      PHE   5 -23.479   7.928  -0.931
   33    HD2  PHE   5           2HD      PHE   5 -21.674   4.638  -2.938
   34    HE1  PHE   5           1HE      PHE   5 -25.460   7.728  -2.378
   35    HE2  PHE   5           2HE      PHE   5 -23.650   4.434  -4.389
   36    HZ   PHE   5           HZ       PHE   5 -25.539   5.949  -4.116
   37    H    GLU   6           H        GLU   6 -22.454   4.510  -0.299
   38    HA   GLU   6           HA       GLU   6 -22.959   3.338   2.258
   39   1HB   GLU   6          2HB       GLU   6 -23.904   1.535   0.979
   40   2HB   GLU   6          1HB       GLU   6 -24.426   3.073   0.302
   41   1HG   GLU   6          2HG       GLU   6 -22.903   2.890  -1.507
   42   2HG   GLU   6          1HG       GLU   6 -22.148   1.473  -0.789
   43    H    TYR   7           H        TYR   7 -20.628   3.154  -0.304
   44    HA   TYR   7           HA       TYR   7 -18.675   2.074  -0.597
   45   1HB   TYR   7          2HB       TYR   7 -18.713   2.996   2.147
   46   2HB   TYR   7          1HB       TYR   7 -17.694   1.573   1.966
   47    HD1  TYR   7           1HD      TYR   7 -16.796   2.144  -0.905
   48    HD2  TYR   7           2HD      TYR   7 -17.002   4.619   2.552
   49    HE1  TYR   7           1HE      TYR   7 -14.995   3.544  -1.802
   50    HE2  TYR   7           2HE      TYR   7 -15.222   6.039   1.638
   51    HH   TYR   7           HH       TYR   7 -13.252   5.074  -0.907
   52    H    ALA   8           H        ALA   8 -20.596   0.373  -0.971
   53    HA   ALA   8           HA       ALA   8 -19.662  -2.118   0.264
   54   1HB   ALA   8          1HB       ALA   8 -22.476  -1.299  -0.471
   55   2HB   ALA   8          2HB       ALA   8 -21.876  -1.825   1.101
   56   3HB   ALA   8          3HB       ALA   8 -22.009  -2.982  -0.224
   57    H    GLU   9           H        GLU   9 -18.263  -1.354  -1.683
   58    HA   GLU   9           HA       GLU   9 -19.326  -1.984  -4.253
   59   1HB   GLU   9          2HB       GLU   9 -16.561  -1.880  -4.473
   60   2HB   GLU   9          1HB       GLU   9 -17.688  -0.622  -4.902
   61   1HG   GLU   9          2HG       GLU   9 -17.400  -0.061  -2.315
   62   2HG   GLU   9          1HG       GLU   9 -15.835  -0.869  -2.581
   63    H    VAL  10           H        VAL  10 -17.439  -3.402  -1.759
   64    HA   VAL  10           HA       VAL  10 -16.556  -5.435  -1.419
   65    HB   VAL  10           HB       VAL  10 -18.934  -5.734  -1.233
   66   1HG1  VAL  10          1HG1      VAL  10 -19.964  -5.460  -3.250
   67   2HG1  VAL  10          2HG1      VAL  10 -19.944  -7.219  -3.143
   68   3HG1  VAL  10          3HG1      VAL  10 -18.743  -6.384  -4.122
   69   1HG2  VAL  10          1HG2      VAL  10 -18.840  -8.321  -1.704
   70   2HG2  VAL  10          2HG2      VAL  10 -17.859  -7.587  -0.435
   71   3HG2  VAL  10          3HG2      VAL  10 -17.137  -7.968  -1.999
   72    H    ASP  11           H        ASP  11 -15.227  -4.407  -3.348
   73    HA   ASP  11           HA       ASP  11 -13.686  -6.173  -4.572
   74   1HB   ASP  11          2HB       ASP  11 -15.574  -7.294  -5.651
   75   2HB   ASP  11          1HB       ASP  11 -16.046  -5.794  -6.442
   76    H    GLU  12           H        GLU  12 -15.317  -3.143  -4.859
   77    HA   GLU  12           HA       GLU  12 -13.323  -2.132  -6.803
   78   1HB   GLU  12          2HB       GLU  12 -15.886  -0.836  -5.983
   79   2HB   GLU  12          1HB       GLU  12 -14.912  -0.468  -7.402
   80   1HG   GLU  12          2HG       GLU  12 -15.434  -2.712  -8.298
   81   2HG   GLU  12          1HG       GLU  12 -16.493  -2.984  -6.914
   82    H    ILE  13           H        ILE  13 -12.127  -2.123  -4.514
   83    HA   ILE  13           HA       ILE  13 -11.259  -1.005  -2.715
   84    HB   ILE  13           HB       ILE  13 -10.073   0.926  -3.351
   85   1HG1  ILE  13          2HG1      ILE  13 -12.204   1.441  -5.448
   86   2HG1  ILE  13          1HG1      ILE  13 -11.932   2.384  -3.985
   87   1HG2  ILE  13          1HG2      ILE  13  -9.018   0.223  -5.260
   88   2HG2  ILE  13          2HG2      ILE  13 -10.529  -0.140  -6.093
   89   3HG2  ILE  13          3HG2      ILE  13  -9.925  -1.232  -4.847
   90   1HD1  ILE  13          1HD1      ILE  13  -9.718   2.081  -5.937
   91   2HD1  ILE  13          2HD1      ILE  13 -10.072   3.401  -4.823
   92   3HD1  ILE  13          3HD1      ILE  13 -11.035   3.200  -6.287
   93    H    VAL  14           H        VAL  14 -12.044  -0.291  -0.873
   94    HA   VAL  14           HA       VAL  14 -14.199   1.692  -0.913
   95    HB   VAL  14           HB       VAL  14 -14.047  -0.873   0.444
   96   1HG1  VAL  14          1HG1      VAL  14 -14.858   1.454   2.200
   97   2HG1  VAL  14          2HG1      VAL  14 -13.379   0.517   2.406
   98   3HG1  VAL  14          3HG1      VAL  14 -14.948  -0.258   2.612
   99   1HG2  VAL  14          1HG2      VAL  14 -15.878   0.479  -0.946
  100   2HG2  VAL  14          2HG2      VAL  14 -16.433   0.823   0.690
  101   3HG2  VAL  14          3HG2      VAL  14 -16.274  -0.843   0.147
  102    H    GLU  15           H        GLU  15 -11.047   0.839   0.334
  103    HA   GLU  15           HA       GLU  15 -11.054   3.469   1.635
  104   1HB   GLU  15          2HB       GLU  15 -11.188   1.107   3.105
  105   2HB   GLU  15          1HB       GLU  15  -9.493   1.595   3.190
  106   1HG   GLU  15          2HG       GLU  15 -10.184   3.852   3.892
  107   2HG   GLU  15          1HG       GLU  15 -11.860   3.302   3.912
  108    H    LYS  16           H        LYS  16  -8.559   3.502   2.773
  109    HA   LYS  16           HA       LYS  16  -6.467   2.492   1.200
  110   1HB   LYS  16          2HB       LYS  16  -5.817   4.316  -0.139
  111   2HB   LYS  16          1HB       LYS  16  -7.515   4.030  -0.477
  112   1HG   LYS  16          2HG       LYS  16  -6.342   6.252   1.196
  113   2HG   LYS  16          1HG       LYS  16  -7.097   6.395  -0.384
  114   1HD   LYS  16          2HD       LYS  16  -8.931   6.937   0.778
  115   2HD   LYS  16          1HD       LYS  16  -9.077   5.204   1.038
  116   1HE   LYS  16          2HE       LYS  16  -9.347   6.428   3.121
  117   2HE   LYS  16          1HE       LYS  16  -7.904   5.427   3.174
  118   1HZ   LYS  16          1HZ       LYS  16  -7.948   8.343   2.608
  119   2HZ   LYS  16          2HZ       LYS  16  -6.565   7.382   2.717
  120   3HZ   LYS  16          3HZ       LYS  16  -7.520   7.643   4.085
  121    H    ARG  17           H        ARG  17  -4.816   4.974   1.353
  122    HA   ARG  17           HA       ARG  17  -3.678   6.300   2.790
  123   1HB   ARG  17          2HB       ARG  17  -5.865   6.317   4.165
  124   2HB   ARG  17          1HB       ARG  17  -5.102   5.067   5.137
  125   1HG   ARG  17          2HG       ARG  17  -3.874   7.749   4.613
  126   2HG   ARG  17          1HG       ARG  17  -4.878   7.391   6.018
  127   1HD   ARG  17          2HD       ARG  17  -3.280   5.548   6.579
  128   2HD   ARG  17          1HD       ARG  17  -2.242   6.130   5.279
  129    HE   ARG  17           HE       ARG  17  -2.832   8.267   7.002
  130   1HH1  ARG  17          1HH1      ARG  17  -1.018   5.296   6.925
  131   2HH1  ARG  17          2HH1      ARG  17   0.145   5.823   8.096
  132   1HH2  ARG  17          1HH2      ARG  17  -1.300   8.973   8.547
  133   2HH2  ARG  17          2HH2      ARG  17  -0.016   7.910   9.017
  134    H    GLY  18           H        GLY  18  -1.604   5.718   3.062
  135   1HA   GLY  18          2HA       GLY  18  -0.736   3.695   4.849
  136   2HA   GLY  18          1HA       GLY  18  -0.813   3.037   3.229
  137    H    LYS  19           H        LYS  19   1.082   3.200   2.061
  138    HA   LYS  19           HA       LYS  19   3.092   4.030   1.336
  139   1HB   LYS  19          2HB       LYS  19   1.675   6.084   1.051
  140   2HB   LYS  19          1HB       LYS  19   2.192   6.603   2.645
  141   1HG   LYS  19          2HG       LYS  19   4.025   6.141   0.299
  142   2HG   LYS  19          1HG       LYS  19   3.410   7.709   0.814
  143   1HD   LYS  19          2HD       LYS  19   4.476   7.216   3.069
  144   2HD   LYS  19          1HD       LYS  19   5.303   5.879   2.264
  145   1HE   LYS  19          2HE       LYS  19   5.468   8.788   1.499
  146   2HE   LYS  19          1HE       LYS  19   6.717   7.857   2.325
  147   1HZ   LYS  19          1HZ       LYS  19   5.958   7.869  -0.479
  148   2HZ   LYS  19          2HZ       LYS  19   6.324   6.352   0.173
  149   3HZ   LYS  19          3HZ       LYS  19   7.469   7.596   0.235
  150    H    GLY  20           H        GLY  20   2.789   6.000   4.310
  151   1HA   GLY  20          2HA       GLY  20   5.399   5.245   5.165
  152   2HA   GLY  20          1HA       GLY  20   4.192   6.086   6.137
  153    H    LYS  21           H        LYS  21   2.328   3.751   5.273
  154    HA   LYS  21           HA       LYS  21   3.368   1.617   6.950
  155   1HB   LYS  21          2HB       LYS  21   2.241   3.120   8.488
  156   2HB   LYS  21          1HB       LYS  21   0.806   3.125   7.468
  157   1HG   LYS  21          2HG       LYS  21   0.218   0.952   8.097
  158   2HG   LYS  21          1HG       LYS  21   1.844   0.575   8.667
  159   1HD   LYS  21          2HD       LYS  21   0.322   0.873  10.538
  160   2HD   LYS  21          1HD       LYS  21   1.535   2.154  10.522
  161   1HE   LYS  21          2HE       LYS  21  -0.072   3.666   9.472
  162   2HE   LYS  21          1HE       LYS  21  -1.283   2.383   9.471
  163   1HZ   LYS  21          1HZ       LYS  21  -1.436   2.435  11.789
  164   2HZ   LYS  21          2HZ       LYS  21  -1.387   4.065  11.342
  165   3HZ   LYS  21          3HZ       LYS  21  -0.004   3.321  11.968
  166    H    ASP  22           H        ASP  22   2.911   1.639   4.113
  167    HA   ASP  22           HA       ASP  22   2.050   0.247   2.530
  168   1HB   ASP  22          2HB       ASP  22   0.552  -1.123   4.768
  169   2HB   ASP  22          1HB       ASP  22   0.944  -1.781   3.185
  170    H    VAL  23           H        VAL  23   0.766   1.149   1.223
  171    HA   VAL  23           HA       VAL  23  -1.980   1.955   1.989
  172    HB   VAL  23           HB       VAL  23  -0.532   3.830   1.343
  173   1HG1  VAL  23          1HG1      VAL  23   0.095   2.068  -0.920
  174   2HG1  VAL  23          2HG1      VAL  23   1.088   3.277  -0.108
  175   3HG1  VAL  23          3HG1      VAL  23  -0.110   3.777  -1.302
  176   1HG2  VAL  23          1HG2      VAL  23  -2.037   4.889  -0.111
  177   2HG2  VAL  23          2HG2      VAL  23  -3.002   3.706   0.770
  178   3HG2  VAL  23          3HG2      VAL  23  -2.482   3.366  -0.881
  179    H    GLU  24           H        GLU  24  -3.521   1.826   0.207
  180    HA   GLU  24           HA       GLU  24  -3.215   0.730  -2.231
  181   1HB   GLU  24          2HB       GLU  24  -2.558  -1.373  -0.765
  182   2HB   GLU  24          1HB       GLU  24  -4.298  -1.564  -0.639
  183   1HG   GLU  24          2HG       GLU  24  -3.439  -1.029  -3.321
  184   2HG   GLU  24          1HG       GLU  24  -2.710  -2.466  -2.689
  185    H    TYR  25           H        TYR  25  -5.317  -0.307  -2.975
  186    HA   TYR  25           HA       TYR  25  -7.563   1.032  -1.699
  187   1HB   TYR  25          2HB       TYR  25  -6.938   1.174  -4.685
  188   2HB   TYR  25          1HB       TYR  25  -8.221   2.037  -3.807
  189    HD1  TYR  25           1HD      TYR  25  -4.568   1.614  -4.068
  190    HD2  TYR  25           2HD      TYR  25  -7.738   4.056  -2.661
  191    HE1  TYR  25           1HE      TYR  25  -2.937   3.258  -3.303
  192    HE2  TYR  25           2HE      TYR  25  -6.089   5.731  -1.927
  193    HH   TYR  25           HH       TYR  25  -3.186   6.055  -2.921
  194    H    LEU  26           H        LEU  26  -8.002  -0.831  -0.874
  195    HA   LEU  26           HA       LEU  26  -9.563  -2.674  -2.329
  196   1HB   LEU  26          2HB       LEU  26  -7.539  -3.442  -3.174
  197   2HB   LEU  26          1HB       LEU  26  -6.753  -3.156  -1.652
  198    HG   LEU  26           HG       LEU  26  -7.948  -5.089  -0.716
  199   1HD1  LEU  26          1HD1      LEU  26  -8.953  -6.661  -2.397
  200   2HD1  LEU  26          2HD1      LEU  26  -8.918  -5.325  -3.528
  201   3HD1  LEU  26          3HD1      LEU  26  -9.895  -5.210  -2.064
  202   1HD2  LEU  26          1HD2      LEU  26  -6.799  -6.827  -2.258
  203   2HD2  LEU  26          2HD2      LEU  26  -5.819  -5.700  -1.327
  204   3HD2  LEU  26          3HD2      LEU  26  -6.121  -5.402  -3.038
  205    H    VAL  27           H        VAL  27 -10.819  -1.647  -0.578
  206    HA   VAL  27           HA       VAL  27 -10.495  -3.131   1.903
  207    HB   VAL  27           HB       VAL  27 -11.238  -0.270   1.863
  208   1HG1  VAL  27          1HG1      VAL  27 -11.110  -2.329   3.907
  209   2HG1  VAL  27          2HG1      VAL  27 -11.958  -0.782   3.908
  210   3HG1  VAL  27          3HG1      VAL  27 -10.252  -0.852   4.352
  211   1HG2  VAL  27          1HG2      VAL  27  -8.663  -1.294   1.456
  212   2HG2  VAL  27          2HG2      VAL  27  -8.698  -0.689   3.104
  213   3HG2  VAL  27          3HG2      VAL  27  -9.118   0.371   1.761
  214    H    ARG  28           H        ARG  28 -12.283  -3.598  -0.195
  215    HA   ARG  28           HA       ARG  28 -14.885  -2.802   0.902
  216   1HB   ARG  28          2HB       ARG  28 -15.383  -3.393  -1.725
  217   2HB   ARG  28          1HB       ARG  28 -15.154  -1.805  -1.060
  218   1HG   ARG  28          2HG       ARG  28 -13.906  -2.140  -3.086
  219   2HG   ARG  28          1HG       ARG  28 -12.835  -1.790  -1.753
  220   1HD   ARG  28          2HD       ARG  28 -12.337  -4.246  -1.627
  221   2HD   ARG  28          1HD       ARG  28 -13.328  -4.463  -3.025
  222    HE   ARG  28           HE       ARG  28 -11.083  -2.706  -3.312
  223   1HH1  ARG  28          1HH1      ARG  28 -12.169  -5.980  -3.488
  224   2HH1  ARG  28          2HH1      ARG  28 -11.138  -6.395  -4.816
  225   1HH2  ARG  28          1HH2      ARG  28  -9.703  -3.214  -5.055
  226   2HH2  ARG  28          2HH2      ARG  28  -9.724  -4.822  -5.700
  227    H    TRP  29           H        TRP  29 -13.573  -5.275  -1.179
  228    HA   TRP  29           HA       TRP  29 -15.570  -6.965  -1.427
  229   1HB   TRP  29          2HB       TRP  29 -13.899  -8.633  -2.068
  230   2HB   TRP  29          1HB       TRP  29 -13.637  -7.051  -2.785
  231    HD1  TRP  29           HD       TRP  29 -11.370  -9.190  -2.736
  232    HE1  TRP  29           1HE      TRP  29  -9.150  -8.760  -1.512
  233    HE3  TRP  29           3HE      TRP  29 -12.835  -5.493   0.526
  234    HZ2  TRP  29           2HZ      TRP  29  -8.149  -7.094   0.518
  235    HZ3  TRP  29           3HZ      TRP  29 -11.246  -4.607   2.068
  236    HH2  TRP  29           HH       TRP  29  -8.928  -5.340   2.067
  237    H    LYS  30           H        LYS  30 -13.014  -8.102   0.645
  238    HA   LYS  30           HA       LYS  30 -14.908  -9.700   2.098
  239   1HB   LYS  30          2HB       LYS  30 -11.899  -9.625   2.125
  240   2HB   LYS  30          1HB       LYS  30 -12.857 -10.711   3.123
  241   1HG   LYS  30          2HG       LYS  30 -13.857 -11.635   1.041
  242   2HG   LYS  30          1HG       LYS  30 -12.729 -10.643   0.118
  243   1HD   LYS  30          2HD       LYS  30 -11.881 -12.676   2.178
  244   2HD   LYS  30          1HD       LYS  30 -12.018 -13.025   0.455
  245   1HE   LYS  30          2HE       LYS  30  -9.729 -12.547   0.913
  246   2HE   LYS  30          1HE       LYS  30 -10.393 -11.173   0.033
  247   1HZ   LYS  30          1HZ       LYS  30 -10.613 -10.903   2.884
  248   2HZ   LYS  30          2HZ       LYS  30 -10.002  -9.818   1.739
  249   3HZ   LYS  30          3HZ       LYS  30  -9.009 -11.039   2.358
  250    H    ASP  31           H        ASP  31 -12.465  -7.265   2.798
  251    HA   ASP  31           HA       ASP  31 -12.268  -7.128   5.431
  252   1HB   ASP  31          2HB       ASP  31 -11.902  -4.770   5.299
  253   2HB   ASP  31          1HB       ASP  31 -11.321  -5.495   3.801
  254    H    GLY  32           H        GLY  32 -13.296  -6.498   7.206
  255   1HA   GLY  32          2HA       GLY  32 -15.898  -5.230   7.144
  256   2HA   GLY  32          1HA       GLY  32 -15.896  -6.892   7.733
  257    H    GLY  33           H        GLY  33 -13.791  -7.209   9.203
  258   1HA   GLY  33          2HA       GLY  33 -14.165  -5.340  11.417
  259   2HA   GLY  33          1HA       GLY  33 -13.356  -6.902  11.499
  260    H    ASP  34           H        ASP  34 -11.670  -6.559   9.260
  261    HA   ASP  34           HA       ASP  34  -9.947  -4.302  10.012
  262   1HB   ASP  34          2HB       ASP  34  -9.068  -6.342  11.102
  263   2HB   ASP  34          1HB       ASP  34  -8.986  -7.133   9.530
  264    H    CYS  35           H        CYS  35  -8.376  -3.732   8.329
  265    HA   CYS  35           HA       CYS  35  -9.565  -3.990   5.698
  266   1HB   CYS  35          2HB       CYS  35  -7.118  -2.458   6.607
  267   2HB   CYS  35          1HB       CYS  35  -7.869  -2.338   5.018
  268    HG   CYS  35           HG       CYS  35 -10.238  -1.769   7.144
  269    H    GLU  36           H        GLU  36  -8.742  -5.134   3.976
  270    HA   GLU  36           HA       GLU  36  -6.304  -6.702   4.505
  271   1HB   GLU  36          2HB       GLU  36  -8.159  -7.605   2.407
  272   2HB   GLU  36          1HB       GLU  36  -7.208  -8.554   3.532
  273   1HG   GLU  36          2HG       GLU  36  -9.765  -7.097   4.175
  274   2HG   GLU  36          1HG       GLU  36  -9.595  -8.834   3.913
  275    H    TRP  37           H        TRP  37  -7.088  -4.065   2.980
  276    HA   TRP  37           HA       TRP  37  -6.576  -4.226   0.286
  277   1HB   TRP  37          2HB       TRP  37  -6.307  -1.977   0.410
  278   2HB   TRP  37          1HB       TRP  37  -7.147  -2.291   1.911
  279    HD1  TRP  37           HD       TRP  37  -4.510  -0.311   0.692
  280    HE1  TRP  37           1HE      TRP  37  -2.827   0.361   2.537
  281    HE3  TRP  37           3HE      TRP  37  -5.847  -3.654   4.282
  282    HZ2  TRP  37           2HZ      TRP  37  -2.192  -0.456   5.162
  283    HZ3  TRP  37           3HZ      TRP  37  -4.677  -3.660   6.419
  284    HH2  TRP  37           HH       TRP  37  -2.880  -2.087   6.849
  285    H    VAL  38           H        VAL  38  -4.642  -4.261  -0.967
  286    HA   VAL  38           HA       VAL  38  -2.345  -5.418   0.371
  287    HB   VAL  38           HB       VAL  38  -2.810  -5.139  -2.593
  288   1HG1  VAL  38          1HG1      VAL  38  -1.085  -7.194  -1.267
  289   2HG1  VAL  38          2HG1      VAL  38  -0.453  -5.582  -1.598
  290   3HG1  VAL  38          3HG1      VAL  38  -1.033  -6.591  -2.923
  291   1HG2  VAL  38          1HG2      VAL  38  -3.121  -7.805  -1.625
  292   2HG2  VAL  38          2HG2      VAL  38  -4.283  -6.792  -2.481
  293   3HG2  VAL  38          3HG2      VAL  38  -4.192  -6.733  -0.722
  294    H    LYS  39           H        LYS  39  -1.279  -3.994  -2.529
  295    HA   LYS  39           HA       LYS  39  -0.139  -1.685  -1.115
  296   1HB   LYS  39          2HB       LYS  39   1.160  -3.350  -3.288
  297   2HB   LYS  39          1HB       LYS  39   1.858  -1.916  -2.550
  298   1HG   LYS  39          2HG       LYS  39   1.218  -4.483  -1.112
  299   2HG   LYS  39          1HG       LYS  39   2.818  -3.977  -1.656
  300   1HD   LYS  39          2HD       LYS  39   2.635  -1.977  -0.215
  301   2HD   LYS  39          1HD       LYS  39   1.083  -2.574   0.374
  302   1HE   LYS  39          2HE       LYS  39   2.879  -3.111   1.930
  303   2HE   LYS  39          1HE       LYS  39   2.175  -4.574   1.246
  304   1HZ   LYS  39          1HZ       LYS  39   4.733  -4.323   1.385
  305   2HZ   LYS  39          2HZ       LYS  39   4.553  -3.378  -0.006
  306   3HZ   LYS  39          3HZ       LYS  39   4.041  -4.990  -0.008
  307    H    GLY  40           H        GLY  40  -0.752   0.167  -1.904
  308   1HA   GLY  40          2HA       GLY  40  -2.346   0.395  -4.237
  309   2HA   GLY  40          1HA       GLY  40  -1.823   1.705  -3.192
  310    H    VAL  41           H        VAL  41   0.903   1.547  -3.365
  311    HA   VAL  41           HA       VAL  41   1.531   3.057  -5.570
  312    HB   VAL  41           HB       VAL  41   3.061   2.646  -3.647
  313   1HG1  VAL  41          1HG1      VAL  41   2.664   0.056  -3.965
  314   2HG1  VAL  41          2HG1      VAL  41   4.163   0.678  -3.275
  315   3HG1  VAL  41          3HG1      VAL  41   4.108   0.193  -4.968
  316   1HG2  VAL  41          1HG2      VAL  41   3.793   3.600  -5.884
  317   2HG2  VAL  41          2HG2      VAL  41   4.462   2.007  -6.236
  318   3HG2  VAL  41          3HG2      VAL  41   5.068   2.935  -4.864
  319    H    HIS  42           H        HIS  42   1.182  -0.381  -5.326
  320    HA   HIS  42           HA       HIS  42   2.005  -0.807  -8.090
  321   1HB   HIS  42          2HB       HIS  42   1.089  -2.775  -5.975
  322   2HB   HIS  42          1HB       HIS  42   1.687  -3.198  -7.574
  323    HD1  HIS  42           1HD      HIS  42   4.255  -1.939  -7.933
  324    HD2  HIS  42           2HD      HIS  42   3.030  -3.139  -4.149
  325    HE1  HIS  42           1HE      HIS  42   6.364  -2.159  -6.581
  326    HE2  HIS  42           2HE      HIS  42   5.595  -2.832  -4.280
  327    H    VAL  43           H        VAL  43  -0.778  -0.876  -5.948
  328    HA   VAL  43           HA       VAL  43  -2.595  -1.599  -8.106
  329    HB   VAL  43           HB       VAL  43  -3.228  -1.012  -5.186
  330   1HG1  VAL  43          1HG1      VAL  43  -4.871  -1.745  -7.548
  331   2HG1  VAL  43          2HG1      VAL  43  -5.277  -0.764  -6.141
  332   3HG1  VAL  43          3HG1      VAL  43  -5.259  -2.523  -6.014
  333   1HG2  VAL  43          1HG2      VAL  43  -3.344  -3.744  -6.360
  334   2HG2  VAL  43          2HG2      VAL  43  -2.991  -3.233  -4.710
  335   3HG2  VAL  43          3HG2      VAL  43  -1.758  -3.082  -5.963
  336    H    ALA  44           H        ALA  44  -1.363   0.829  -8.635
  337    HA   ALA  44           HA       ALA  44  -1.796   3.003  -9.196
  338   1HB   ALA  44          1HB       ALA  44  -3.869   3.444 -10.097
  339   2HB   ALA  44          2HB       ALA  44  -4.723   2.552  -8.838
  340   3HB   ALA  44          3HB       ALA  44  -3.864   1.680 -10.107
  341    H    GLU  45           H        GLU  45  -0.823   3.395  -7.071
  342    HA   GLU  45           HA       GLU  45  -2.336   3.917  -4.818
  343   1HB   GLU  45          2HB       GLU  45  -0.111   3.742  -4.304
  344   2HB   GLU  45          1HB       GLU  45   0.395   4.665  -5.707
  345   1HG   GLU  45          2HG       GLU  45   0.093   6.692  -4.650
  346   2HG   GLU  45          1HG       GLU  45  -1.035   6.035  -3.467
  347    H    ASP  46           H        ASP  46  -1.112   6.299  -7.159
  348    HA   ASP  46           HA       ASP  46  -2.740   8.316  -5.899
  349   1HB   ASP  46          2HB       ASP  46  -0.984   8.460  -8.358
  350   2HB   ASP  46          1HB       ASP  46  -1.762   9.838  -7.586
  351    H    VAL  47           H        VAL  47  -4.072   5.987  -7.358
  352    HA   VAL  47           HA       VAL  47  -5.587   7.646  -9.276
  353    HB   VAL  47           HB       VAL  47  -5.203   4.642  -9.311
  354   1HG1  VAL  47          1HG1      VAL  47  -6.200   5.179 -11.722
  355   2HG1  VAL  47          2HG1      VAL  47  -6.966   6.489 -10.824
  356   3HG1  VAL  47          3HG1      VAL  47  -7.228   4.815 -10.336
  357   1HG2  VAL  47          1HG2      VAL  47  -4.146   5.411 -11.618
  358   2HG2  VAL  47          2HG2      VAL  47  -3.196   5.352 -10.133
  359   3HG2  VAL  47          3HG2      VAL  47  -3.846   6.890 -10.705
  360    H    ALA  48           H        ALA  48  -5.773   5.235  -6.713
  361    HA   ALA  48           HA       ALA  48  -8.689   5.370  -6.758
  362   1HB   ALA  48          1HB       ALA  48  -6.674   3.536  -5.652
  363   2HB   ALA  48          2HB       ALA  48  -8.230   3.201  -6.408
  364   3HB   ALA  48          3HB       ALA  48  -8.161   3.716  -4.723
  365    H    LYS  49           H        LYS  49  -5.997   6.444  -4.803
  366    HA   LYS  49           HA       LYS  49  -7.290   6.985  -2.410
  367   1HB   LYS  49          2HB       LYS  49  -4.892   7.101  -2.584
  368   2HB   LYS  49          1HB       LYS  49  -4.991   8.423  -3.724
  369   1HG   LYS  49          2HG       LYS  49  -5.930   9.855  -1.977
  370   2HG   LYS  49          1HG       LYS  49  -5.817   8.517  -0.833
  371   1HD   LYS  49          2HD       LYS  49  -3.385   8.463  -1.147
  372   2HD   LYS  49          1HD       LYS  49  -3.505   9.813  -2.278
  373   1HE   LYS  49          2HE       LYS  49  -4.307   9.873   0.629
  374   2HE   LYS  49          1HE       LYS  49  -2.822  10.547  -0.039
  375   1HZ   LYS  49          1HZ       LYS  49  -4.008  12.414  -0.208
  376   2HZ   LYS  49          2HZ       LYS  49  -5.494  11.621  -0.050
  377   3HZ   LYS  49          3HZ       LYS  49  -4.734  11.697  -1.558
  378    H    ASP  50           H        ASP  50  -6.764   9.267  -5.075
  379    HA   ASP  50           HA       ASP  50  -7.976  11.424  -3.982
  380   1HB   ASP  50          2HB       ASP  50  -7.948  10.493  -6.824
  381   2HB   ASP  50          1HB       ASP  50  -8.615  12.058  -6.369
  382    H    TYR  51           H        TYR  51  -9.528   8.645  -5.307
  383    HA   TYR  51           HA       TYR  51 -12.176   9.683  -5.323
  384   1HB   TYR  51          2HB       TYR  51 -11.860   7.836  -6.709
  385   2HB   TYR  51          1HB       TYR  51 -10.917   7.012  -5.473
  386    HD1  TYR  51           1HD      TYR  51 -14.349   8.490  -5.385
  387    HD2  TYR  51           2HD      TYR  51 -11.960   5.000  -4.950
  388    HE1  TYR  51           1HE      TYR  51 -16.333   7.239  -4.635
  389    HE2  TYR  51           2HE      TYR  51 -13.937   3.729  -4.231
  390    HH   TYR  51           HH       TYR  51 -16.105   3.822  -3.693
  391    H    GLU  52           H        GLU  52 -10.505   7.372  -3.322
  392    HA   GLU  52           HA       GLU  52 -12.576   7.109  -1.406
  393   1HB   GLU  52          2HB       GLU  52 -10.615   5.528  -2.133
  394   2HB   GLU  52          1HB       GLU  52  -9.728   6.362  -0.871
  395   1HG   GLU  52          2HG       GLU  52 -12.144   4.621  -0.616
  396   2HG   GLU  52          1HG       GLU  52 -10.558   4.425   0.105
  397    H    ASP  53           H        ASP  53  -9.276   8.234  -1.049
  398    HA   ASP  53           HA       ASP  53  -9.112   9.273   1.384
  399   1HB   ASP  53          2HB       ASP  53  -7.281  10.448   0.614
  400   2HB   ASP  53          1HB       ASP  53  -7.562   9.388  -0.767
  401    H    GLY  54           H        GLY  54 -10.656  10.981  -1.320
  402   1HA   GLY  54          2HA       GLY  54 -11.325  13.308   0.171
  403   2HA   GLY  54          1HA       GLY  54 -12.004  12.841  -1.382
  404    H    LEU  55           H        LEU  55 -13.223  10.453  -0.789
  405    HA   LEU  55           HA       LEU  55 -15.637  11.304   0.374
  406   1HB   LEU  55          2HB       LEU  55 -14.540   8.655  -0.464
  407   2HB   LEU  55          1HB       LEU  55 -15.999   8.695   0.502
  408    HG   LEU  55           HG       LEU  55 -16.514   8.492  -1.871
  409   1HD1  LEU  55          1HD1      LEU  55 -17.339  10.962  -0.415
  410   2HD1  LEU  55          2HD1      LEU  55 -18.268   9.515  -0.799
  411   3HD1  LEU  55          3HD1      LEU  55 -17.894  10.682  -2.065
  412   1HD2  LEU  55          1HD2      LEU  55 -14.595  10.676  -2.116
  413   2HD2  LEU  55          2HD2      LEU  55 -16.080  10.932  -3.023
  414   3HD2  LEU  55          3HD2      LEU  55 -15.116   9.482  -3.299
  415    H    GLU  56           H        GLU  56 -13.869   8.502   1.594
  416    HA   GLU  56           HA       GLU  56 -14.702   9.113   4.294
  417   1HB   GLU  56          2HB       GLU  56 -14.703   6.790   3.429
  418   2HB   GLU  56          1HB       GLU  56 -12.955   6.867   3.275
  419   1HG   GLU  56          2HG       GLU  56 -12.688   7.049   5.645
  420   2HG   GLU  56          1HG       GLU  56 -14.426   7.203   5.874
  421    H    TYR  57           H        TYR  57 -13.232  11.203   3.652
  422    HA   TYR  57           HA       TYR  57 -10.445  10.980   4.014
  423   1HB   TYR  57          2HB       TYR  57 -11.499  12.945   2.985
  424   2HB   TYR  57          1HB       TYR  57 -12.253  13.353   4.522
  425    HD1  TYR  57           1HD      TYR  57  -8.771  12.244   3.785
  426    HD2  TYR  57           2HD      TYR  57 -11.298  15.372   5.172
  427    HE1  TYR  57           1HE      TYR  57  -6.790  13.566   4.397
  428    HE2  TYR  57           2HE      TYR  57  -9.325  16.702   5.788
  429    HH   TYR  57           HH       TYR  57  -6.625  15.814   6.401
  Start of MODEL   18
    1   1H    GLY   1          1HT       GLY   1 -22.686   9.209   8.798
    2   2H    GLY   1          2HT       GLY   1 -24.066  10.114   8.425
    3   3H    GLY   1          3HT       GLY   1 -23.823   9.556  10.004
    4   1HA   GLY   1          1HA       GLY   1 -22.880  11.940   8.765
    5   2HA   GLY   1          2HA       GLY   1 -22.916  11.511  10.468
    6    H    SER   2           H        SER   2 -21.212  10.001   7.737
    7    HA   SER   2           HA       SER   2 -18.675  11.050   8.292
    8   1HB   SER   2          2HB       SER   2 -17.605   9.112   9.394
    9   2HB   SER   2          1HB       SER   2 -18.849   9.837  10.411
   10    HG   SER   2           HG       SER   2 -20.271   8.160   9.478
   11    H    GLN   3           H        GLN   3 -20.148   7.905   7.482
   12    HA   GLN   3           HA       GLN   3 -18.237   7.336   5.431
   13   1HB   GLN   3          2HB       GLN   3 -20.961   6.084   5.836
   14   2HB   GLN   3          1HB       GLN   3 -19.598   5.392   4.968
   15   1HG   GLN   3          2HG       GLN   3 -19.641   5.973   7.919
   16   2HG   GLN   3          1HG       GLN   3 -19.973   4.404   7.196
   17   1HE2  GLN   3          1HE2      GLN   3 -17.676   5.489   5.199
   18   2HE2  GLN   3          2HE2      GLN   3 -16.267   4.952   6.030
   19    H    VAL   4           H        VAL   4 -18.302   7.882   3.286
   20    HA   VAL   4           HA       VAL   4 -20.521   9.546   2.436
   21    HB   VAL   4           HB       VAL   4 -17.966   8.829   0.967
   22   1HG1  VAL   4          1HG1      VAL   4 -20.413   9.918  -0.007
   23   2HG1  VAL   4          2HG1      VAL   4 -18.901   9.646  -0.872
   24   3HG1  VAL   4          3HG1      VAL   4 -19.179  11.177  -0.043
   25   1HG2  VAL   4          1HG2      VAL   4 -18.831  11.277   2.500
   26   2HG2  VAL   4          2HG2      VAL   4 -17.427  11.225   1.436
   27   3HG2  VAL   4          3HG2      VAL   4 -17.488  10.197   2.867
   28    H    PHE   5           H        PHE   5 -18.882   7.389   0.203
   29    HA   PHE   5           HA       PHE   5 -21.213   6.619  -1.095
   30   1HB   PHE   5          2HB       PHE   5 -18.780   6.528  -1.932
   31   2HB   PHE   5          1HB       PHE   5 -18.673   4.995  -1.075
   32    HD1  PHE   5           1HD      PHE   5 -21.351   6.517  -3.183
   33    HD2  PHE   5           2HD      PHE   5 -18.658   3.278  -2.585
   34    HE1  PHE   5           1HE      PHE   5 -22.329   5.351  -5.118
   35    HE2  PHE   5           2HE      PHE   5 -19.628   2.106  -4.518
   36    HZ   PHE   5           HZ       PHE   5 -21.474   3.175  -5.803
   37    H    GLU   6           H        GLU   6 -22.329   4.588  -1.060
   38    HA   GLU   6           HA       GLU   6 -22.918   3.540   1.424
   39   1HB   GLU   6          2HB       GLU   6 -24.014   1.754   0.287
   40   2HB   GLU   6          1HB       GLU   6 -24.161   3.182  -0.728
   41   1HG   GLU   6          2HG       GLU   6 -22.368   2.400  -2.148
   42   2HG   GLU   6          1HG       GLU   6 -22.140   0.995  -1.107
   43    H    TYR   7           H        TYR   7 -20.346   2.822  -0.759
   44    HA   TYR   7           HA       TYR   7 -18.404   1.736  -0.572
   45   1HB   TYR   7          2HB       TYR   7 -19.163   2.208   2.229
   46   2HB   TYR   7          1HB       TYR   7 -17.901   1.011   1.963
   47    HD1  TYR   7           1HD      TYR   7 -16.552   2.203  -0.446
   48    HD2  TYR   7           2HD      TYR   7 -18.010   4.013   3.126
   49    HE1  TYR   7           1HE      TYR   7 -14.907   4.012  -0.677
   50    HE2  TYR   7           2HE      TYR   7 -16.421   5.816   2.876
   51    HH   TYR   7           HH       TYR   7 -14.826   6.526   0.119
   52    H    ALA   8           H        ALA   8 -20.398   0.202  -1.468
   53    HA   ALA   8           HA       ALA   8 -19.738  -2.430  -0.348
   54   1HB   ALA   8          1HB       ALA   8 -22.349  -1.259  -0.889
   55   2HB   ALA   8          2HB       ALA   8 -21.950  -2.757  -0.050
   56   3HB   ALA   8          3HB       ALA   8 -22.101  -2.744  -1.807
   57    H    GLU   9           H        GLU   9 -17.979  -1.543  -1.892
   58    HA   GLU   9           HA       GLU   9 -18.584  -1.858  -4.654
   59   1HB   GLU   9          2HB       GLU   9 -15.794  -1.746  -4.270
   60   2HB   GLU   9          1HB       GLU   9 -16.847  -0.529  -4.953
   61   1HG   GLU   9          2HG       GLU   9 -17.223  -0.034  -2.357
   62   2HG   GLU   9          1HG       GLU   9 -15.585  -0.723  -2.293
   63    H    VAL  10           H        VAL  10 -17.031  -3.488  -2.065
   64    HA   VAL  10           HA       VAL  10 -16.216  -5.554  -1.736
   65    HB   VAL  10           HB       VAL  10 -18.609  -5.848  -2.066
   66   1HG1  VAL  10          1HG1      VAL  10 -17.785  -6.317  -4.856
   67   2HG1  VAL  10          2HG1      VAL  10 -19.276  -5.643  -4.208
   68   3HG1  VAL  10          3HG1      VAL  10 -19.025  -7.387  -4.209
   69   1HG2  VAL  10          1HG2      VAL  10 -17.575  -7.663  -1.069
   70   2HG2  VAL  10          2HG2      VAL  10 -16.661  -8.062  -2.524
   71   3HG2  VAL  10          3HG2      VAL  10 -18.390  -8.404  -2.447
   72    H    ASP  11           H        ASP  11 -14.675  -4.261  -3.486
   73    HA   ASP  11           HA       ASP  11 -12.841  -5.903  -4.478
   74   1HB   ASP  11          2HB       ASP  11 -14.455  -7.150  -5.830
   75   2HB   ASP  11          1HB       ASP  11 -14.957  -5.674  -6.643
   76    H    GLU  12           H        GLU  12 -14.718  -3.066  -5.003
   77    HA   GLU  12           HA       GLU  12 -12.601  -1.814  -6.619
   78   1HB   GLU  12          2HB       GLU  12 -14.843  -1.823  -7.538
   79   2HB   GLU  12          1HB       GLU  12 -15.429  -1.049  -6.079
   80   1HG   GLU  12          2HG       GLU  12 -14.403   0.964  -6.582
   81   2HG   GLU  12          1HG       GLU  12 -13.397   0.248  -7.840
   82    H    ILE  13           H        ILE  13 -11.621  -1.879  -4.330
   83    HA   ILE  13           HA       ILE  13 -11.077  -0.884  -2.298
   84    HB   ILE  13           HB       ILE  13  -9.867   1.207  -2.709
   85   1HG1  ILE  13          2HG1      ILE  13  -9.908   1.829  -5.305
   86   2HG1  ILE  13          1HG1      ILE  13 -11.556   1.237  -5.167
   87   1HG2  ILE  13          1HG2      ILE  13  -9.395  -0.467  -5.137
   88   2HG2  ILE  13          2HG2      ILE  13  -9.161  -1.164  -3.534
   89   3HG2  ILE  13          3HG2      ILE  13  -8.232   0.253  -4.024
   90   1HD1  ILE  13          1HD1      ILE  13 -12.221   3.121  -4.221
   91   2HD1  ILE  13          2HD1      ILE  13 -10.628   3.787  -4.583
   92   3HD1  ILE  13          3HD1      ILE  13 -10.937   3.042  -3.014
   93    H    VAL  14           H        VAL  14 -12.075  -0.227  -0.634
   94    HA   VAL  14           HA       VAL  14 -14.195   1.761  -0.769
   95    HB   VAL  14           HB       VAL  14 -13.848  -0.736   0.644
   96   1HG1  VAL  14          1HG1      VAL  14 -13.286   0.707   2.575
   97   2HG1  VAL  14          2HG1      VAL  14 -14.789  -0.187   2.800
   98   3HG1  VAL  14          3HG1      VAL  14 -14.836   1.523   2.373
   99   1HG2  VAL  14          1HG2      VAL  14 -16.025  -0.945   0.273
  100   2HG2  VAL  14          2HG2      VAL  14 -15.797   0.477  -0.739
  101   3HG2  VAL  14          3HG2      VAL  14 -16.379   0.656   0.905
  102    H    GLU  15           H        GLU  15 -11.146   0.899   0.793
  103    HA   GLU  15           HA       GLU  15 -11.183   3.623   1.911
  104   1HB   GLU  15          2HB       GLU  15 -11.190   1.356   3.463
  105   2HB   GLU  15          1HB       GLU  15  -9.476   1.756   3.374
  106   1HG   GLU  15          2HG       GLU  15 -10.031   4.081   4.067
  107   2HG   GLU  15          1HG       GLU  15 -11.690   3.549   4.325
  108    H    LYS  16           H        LYS  16  -8.516   3.564   2.976
  109    HA   LYS  16           HA       LYS  16  -6.505   2.727   1.265
  110   1HB   LYS  16          2HB       LYS  16  -6.100   4.873   0.004
  111   2HB   LYS  16          1HB       LYS  16  -7.452   3.887  -0.511
  112   1HG   LYS  16          2HG       LYS  16  -8.081   6.201  -0.562
  113   2HG   LYS  16          1HG       LYS  16  -8.981   5.352   0.693
  114   1HD   LYS  16          2HD       LYS  16  -6.463   6.577   1.575
  115   2HD   LYS  16          1HD       LYS  16  -7.706   7.712   1.056
  116   1HE   LYS  16          2HE       LYS  16  -8.254   5.494   3.008
  117   2HE   LYS  16          1HE       LYS  16  -7.700   7.089   3.518
  118   1HZ   LYS  16          1HZ       LYS  16  -9.711   7.836   2.038
  119   2HZ   LYS  16          2HZ       LYS  16  -9.946   7.353   3.642
  120   3HZ   LYS  16          3HZ       LYS  16 -10.275   6.277   2.379
  121    H    ARG  17           H        ARG  17  -4.597   4.692   1.178
  122    HA   ARG  17           HA       ARG  17  -3.224   6.043   2.355
  123   1HB   ARG  17          2HB       ARG  17  -5.394   7.166   3.062
  124   2HB   ARG  17          1HB       ARG  17  -5.302   6.208   4.532
  125   1HG   ARG  17          2HG       ARG  17  -3.008   7.909   3.682
  126   2HG   ARG  17          1HG       ARG  17  -4.389   8.615   4.525
  127   1HD   ARG  17          2HD       ARG  17  -4.053   6.972   6.349
  128   2HD   ARG  17          1HD       ARG  17  -2.614   6.388   5.519
  129    HE   ARG  17           HE       ARG  17  -2.353   9.145   5.862
  130   1HH1  ARG  17          1HH1      ARG  17  -2.489   6.247   7.787
  131   2HH1  ARG  17          2HH1      ARG  17  -1.517   6.895   9.066
  132   1HH2  ARG  17          1HH2      ARG  17  -1.074  10.009   7.540
  133   2HH2  ARG  17          2HH2      ARG  17  -0.713   9.036   8.926
  134    H    GLY  18           H        GLY  18  -1.491   5.448   3.550
  135   1HA   GLY  18          2HA       GLY  18  -1.810   3.754   5.863
  136   2HA   GLY  18          1HA       GLY  18  -1.053   2.966   4.495
  137    H    LYS  19           H        LYS  19   0.865   2.620   5.341
  138    HA   LYS  19           HA       LYS  19   2.388   4.114   7.030
  139   1HB   LYS  19          2HB       LYS  19   2.837   1.774   6.211
  140   2HB   LYS  19          1HB       LYS  19   3.521   2.497   4.767
  141   1HG   LYS  19          2HG       LYS  19   5.234   3.592   6.068
  142   2HG   LYS  19          1HG       LYS  19   4.522   2.972   7.559
  143   1HD   LYS  19          2HD       LYS  19   4.942   0.673   6.773
  144   2HD   LYS  19          1HD       LYS  19   5.709   1.327   5.324
  145   1HE   LYS  19          2HE       LYS  19   6.621   1.772   8.164
  146   2HE   LYS  19          1HE       LYS  19   7.364   0.672   7.004
  147   1HZ   LYS  19          1HZ       LYS  19   7.270   3.630   6.889
  148   2HZ   LYS  19          2HZ       LYS  19   7.722   2.678   5.567
  149   3HZ   LYS  19          3HZ       LYS  19   8.636   2.637   6.988
  150    H    GLY  20           H        GLY  20   4.194   5.512   6.775
  151   1HA   GLY  20          2HA       GLY  20   3.826   7.695   5.127
  152   2HA   GLY  20          1HA       GLY  20   5.369   7.257   5.848
  153    H    LYS  21           H        LYS  21   5.735   4.781   4.496
  154    HA   LYS  21           HA       LYS  21   6.052   5.715   1.718
  155   1HB   LYS  21          2HB       LYS  21   8.140   5.434   3.316
  156   2HB   LYS  21          1HB       LYS  21   7.958   3.736   2.895
  157   1HG   LYS  21          2HG       LYS  21   8.441   6.034   1.012
  158   2HG   LYS  21          1HG       LYS  21   9.556   4.730   1.422
  159   1HD   LYS  21          2HD       LYS  21   8.068   3.110   0.376
  160   2HD   LYS  21          1HD       LYS  21   6.913   4.392   0.006
  161   1HE   LYS  21          2HE       LYS  21   8.616   5.491  -1.392
  162   2HE   LYS  21          1HE       LYS  21   9.730   4.166  -1.050
  163   1HZ   LYS  21          1HZ       LYS  21   7.261   4.133  -2.663
  164   2HZ   LYS  21          2HZ       LYS  21   7.867   2.702  -1.996
  165   3HZ   LYS  21          3HZ       LYS  21   8.810   3.594  -3.079
  166    H    ASP  22           H        ASP  22   3.776   4.396   2.353
  167    HA   ASP  22           HA       ASP  22   3.682   2.309   0.549
  168   1HB   ASP  22          2HB       ASP  22   5.007   1.050   2.229
  169   2HB   ASP  22          1HB       ASP  22   3.717   1.283   3.396
  170    H    VAL  23           H        VAL  23   1.854   2.673  -0.167
  171    HA   VAL  23           HA       VAL  23  -0.514   3.176   1.542
  172    HB   VAL  23           HB       VAL  23  -0.537   3.738  -1.365
  173   1HG1  VAL  23          1HG1      VAL  23  -2.571   4.186  -0.382
  174   2HG1  VAL  23          2HG1      VAL  23  -1.814   5.777  -0.339
  175   3HG1  VAL  23          3HG1      VAL  23  -1.845   4.774   1.110
  176   1HG2  VAL  23          1HG2      VAL  23   0.762   5.640   0.591
  177   2HG2  VAL  23          2HG2      VAL  23   0.426   5.960  -1.110
  178   3HG2  VAL  23          3HG2      VAL  23   1.606   4.729  -0.661
  179    H    GLU  24           H        GLU  24  -2.514   2.455   0.472
  180    HA   GLU  24           HA       GLU  24  -2.519   0.484  -1.506
  181   1HB   GLU  24          2HB       GLU  24  -3.385  -1.283   0.383
  182   2HB   GLU  24          1HB       GLU  24  -1.762  -1.231  -0.245
  183   1HG   GLU  24          2HG       GLU  24  -0.984   0.037   1.628
  184   2HG   GLU  24          1HG       GLU  24  -2.617   0.171   2.254
  185    H    TYR  25           H        TYR  25  -4.505  -0.304  -2.001
  186    HA   TYR  25           HA       TYR  25  -6.771   1.050  -0.726
  187   1HB   TYR  25          2HB       TYR  25  -6.298   0.982  -3.720
  188   2HB   TYR  25          1HB       TYR  25  -7.558   1.863  -2.848
  189    HD1  TYR  25           1HD      TYR  25  -3.866   1.563  -2.972
  190    HD2  TYR  25           2HD      TYR  25  -7.207   4.050  -2.362
  191    HE1  TYR  25           1HE      TYR  25  -2.365   3.435  -2.619
  192    HE2  TYR  25           2HE      TYR  25  -5.726   5.930  -1.987
  193    HH   TYR  25           HH       TYR  25  -2.347   5.821  -2.658
  194    H    LEU  26           H        LEU  26  -8.012  -0.495  -0.085
  195    HA   LEU  26           HA       LEU  26  -9.656  -1.887  -1.543
  196   1HB   LEU  26          2HB       LEU  26  -8.912  -4.203  -1.769
  197   2HB   LEU  26          1HB       LEU  26  -8.099  -3.049  -2.793
  198    HG   LEU  26           HG       LEU  26  -6.470  -3.332  -0.522
  199   1HD1  LEU  26          1HD1      LEU  26  -6.391  -6.017  -1.501
  200   2HD1  LEU  26          2HD1      LEU  26  -8.019  -5.680  -0.930
  201   3HD1  LEU  26          3HD1      LEU  26  -6.648  -5.477   0.153
  202   1HD2  LEU  26          1HD2      LEU  26  -5.393  -2.890  -2.504
  203   2HD2  LEU  26          2HD2      LEU  26  -6.376  -4.042  -3.410
  204   3HD2  LEU  26          3HD2      LEU  26  -5.105  -4.624  -2.346
  205    H    VAL  27           H        VAL  27 -10.923  -1.323   0.072
  206    HA   VAL  27           HA       VAL  27 -10.790  -3.068   2.400
  207    HB   VAL  27           HB       VAL  27 -11.463  -0.149   2.438
  208   1HG1  VAL  27          1HG1      VAL  27 -12.877  -0.752   4.102
  209   2HG1  VAL  27          2HG1      VAL  27 -11.393  -0.825   5.053
  210   3HG1  VAL  27          3HG1      VAL  27 -12.073  -2.300   4.361
  211   1HG2  VAL  27          1HG2      VAL  27  -9.231  -1.704   3.690
  212   2HG2  VAL  27          2HG2      VAL  27  -9.601  -0.028   4.079
  213   3HG2  VAL  27          3HG2      VAL  27  -9.103  -0.463   2.444
  214    H    ARG  28           H        ARG  28 -12.212  -3.473   0.069
  215    HA   ARG  28           HA       ARG  28 -14.989  -2.935   0.813
  216   1HB   ARG  28          2HB       ARG  28 -15.113  -3.360  -1.849
  217   2HB   ARG  28          1HB       ARG  28 -14.978  -1.809  -1.070
  218   1HG   ARG  28          2HG       ARG  28 -13.514  -2.095  -3.005
  219   2HG   ARG  28          1HG       ARG  28 -12.641  -1.682  -1.561
  220   1HD   ARG  28          2HD       ARG  28 -11.972  -4.073  -1.351
  221   2HD   ARG  28          1HD       ARG  28 -12.823  -4.404  -2.820
  222    HE   ARG  28           HE       ARG  28 -10.686  -2.495  -3.022
  223   1HH1  ARG  28          1HH1      ARG  28 -11.509  -5.855  -3.079
  224   2HH1  ARG  28          2HH1      ARG  28 -10.241  -6.285  -4.173
  225   1HH2  ARG  28          1HH2      ARG  28  -9.020  -3.030  -4.487
  226   2HH2  ARG  28          2HH2      ARG  28  -8.820  -4.684  -4.966
  227    H    TRP  29           H        TRP  29 -13.196  -5.231  -1.116
  228    HA   TRP  29           HA       TRP  29 -15.064  -6.994  -1.718
  229   1HB   TRP  29          2HB       TRP  29 -13.197  -8.591  -2.059
  230   2HB   TRP  29          1HB       TRP  29 -12.980  -7.014  -2.797
  231    HD1  TRP  29           HD       TRP  29 -10.502  -8.738  -2.567
  232    HE1  TRP  29           1HE      TRP  29  -8.516  -8.178  -1.035
  233    HE3  TRP  29           3HE      TRP  29 -12.798  -5.564   0.758
  234    HZ2  TRP  29           2HZ      TRP  29  -7.962  -6.614   1.239
  235    HZ3  TRP  29           3HZ      TRP  29 -11.513  -4.641   2.564
  236    HH2  TRP  29           HH       TRP  29  -9.142  -5.131   2.816
  237    H    LYS  30           H        LYS  30 -12.781  -8.117   0.615
  238    HA   LYS  30           HA       LYS  30 -14.838  -9.652   1.911
  239   1HB   LYS  30          2HB       LYS  30 -11.834  -9.624   2.251
  240   2HB   LYS  30          1HB       LYS  30 -12.910 -10.621   3.218
  241   1HG   LYS  30          2HG       LYS  30 -13.087 -10.822   0.255
  242   2HG   LYS  30          1HG       LYS  30 -11.702 -11.548   1.063
  243   1HD   LYS  30          2HD       LYS  30 -13.551 -13.147   0.718
  244   2HD   LYS  30          1HD       LYS  30 -13.155 -12.921   2.420
  245   1HE   LYS  30          2HE       LYS  30 -15.565 -12.994   2.074
  246   2HE   LYS  30          1HE       LYS  30 -15.059 -11.416   2.668
  247   1HZ   LYS  30          1HZ       LYS  30 -16.286 -10.653   0.979
  248   2HZ   LYS  30          2HZ       LYS  30 -16.291 -12.134   0.164
  249   3HZ   LYS  30          3HZ       LYS  30 -14.978 -11.084  -0.005
  250    H    ASP  31           H        ASP  31 -12.108  -8.307   3.636
  251    HA   ASP  31           HA       ASP  31 -12.089  -7.367   5.726
  252   1HB   ASP  31          2HB       ASP  31 -12.646  -4.967   5.556
  253   2HB   ASP  31          1HB       ASP  31 -11.737  -5.566   4.175
  254    H    GLY  32           H        GLY  32 -14.215  -5.297   6.573
  255   1HA   GLY  32          2HA       GLY  32 -16.329  -5.367   7.576
  256   2HA   GLY  32          1HA       GLY  32 -16.537  -7.018   6.995
  257    H    GLY  33           H        GLY  33 -14.482  -8.409   8.034
  258   1HA   GLY  33          2HA       GLY  33 -15.035  -8.283  10.894
  259   2HA   GLY  33          1HA       GLY  33 -14.234  -9.606  10.044
  260    H    ASP  34           H        ASP  34 -12.339  -8.329   8.649
  261    HA   ASP  34           HA       ASP  34 -10.679  -6.856  10.568
  262   1HB   ASP  34          2HB       ASP  34  -9.956  -9.202  10.660
  263   2HB   ASP  34          1HB       ASP  34  -9.758  -9.220   8.910
  264    H    CYS  35           H        CYS  35  -8.885  -5.653   9.466
  265    HA   CYS  35           HA       CYS  35  -9.812  -4.629   6.904
  266   1HB   CYS  35          2HB       CYS  35  -7.431  -3.851   8.612
  267   2HB   CYS  35          1HB       CYS  35  -7.916  -3.037   7.131
  268    HG   CYS  35           HG       CYS  35 -10.478  -3.181   9.190
  269    H    GLU  36           H        GLU  36  -8.722  -4.923   4.904
  270    HA   GLU  36           HA       GLU  36  -6.303  -6.539   5.006
  271   1HB   GLU  36          2HB       GLU  36  -7.856  -7.559   2.885
  272   2HB   GLU  36          1HB       GLU  36  -7.264  -8.413   4.298
  273   1HG   GLU  36          2HG       GLU  36  -9.323  -7.637   5.501
  274   2HG   GLU  36          1HG       GLU  36  -9.913  -7.008   3.957
  275    H    TRP  37           H        TRP  37  -7.320  -3.759   3.899
  276    HA   TRP  37           HA       TRP  37  -6.875  -3.920   1.107
  277   1HB   TRP  37          2HB       TRP  37  -6.806  -1.634   1.049
  278   2HB   TRP  37          1HB       TRP  37  -7.863  -1.980   2.385
  279    HD1  TRP  37           HD       TRP  37  -4.572  -0.372   1.510
  280    HE1  TRP  37           1HE      TRP  37  -3.697   0.941   3.563
  281    HE3  TRP  37           3HE      TRP  37  -7.892  -1.987   5.043
  282    HZ2  TRP  37           2HZ      TRP  37  -4.338   1.217   6.280
  283    HZ3  TRP  37           3HZ      TRP  37  -7.696  -1.147   7.336
  284    HH2  TRP  37           HH       TRP  37  -5.942   0.431   7.944
  285    H    VAL  38           H        VAL  38  -5.003  -4.428   0.091
  286    HA   VAL  38           HA       VAL  38  -2.493  -3.908   1.430
  287    HB   VAL  38           HB       VAL  38  -1.639  -5.972   0.359
  288   1HG1  VAL  38          1HG1      VAL  38  -3.766  -7.132   1.946
  289   2HG1  VAL  38          2HG1      VAL  38  -3.060  -5.711   2.717
  290   3HG1  VAL  38          3HG1      VAL  38  -2.033  -7.073   2.267
  291   1HG2  VAL  38          1HG2      VAL  38  -4.539  -6.354  -0.285
  292   2HG2  VAL  38          2HG2      VAL  38  -3.331  -7.637  -0.377
  293   3HG2  VAL  38          3HG2      VAL  38  -3.199  -6.221  -1.421
  294    H    LYS  39           H        LYS  39  -0.703  -3.387  -0.030
  295    HA   LYS  39           HA       LYS  39   0.203  -2.303  -1.820
  296   1HB   LYS  39          2HB       LYS  39  -1.622  -4.233  -3.250
  297   2HB   LYS  39          1HB       LYS  39  -0.295  -3.365  -4.008
  298   1HG   LYS  39          2HG       LYS  39  -0.116  -5.462  -1.858
  299   2HG   LYS  39          1HG       LYS  39   0.404  -5.595  -3.539
  300   1HD   LYS  39          2HD       LYS  39   1.547  -3.704  -1.491
  301   2HD   LYS  39          1HD       LYS  39   2.296  -5.209  -2.031
  302   1HE   LYS  39          2HE       LYS  39   1.668  -2.825  -3.772
  303   2HE   LYS  39          1HE       LYS  39   3.262  -3.256  -3.153
  304   1HZ   LYS  39          1HZ       LYS  39   1.625  -4.689  -5.154
  305   2HZ   LYS  39          2HZ       LYS  39   2.903  -5.447  -4.345
  306   3HZ   LYS  39          3HZ       LYS  39   3.202  -4.092  -5.311
  307    H    GLY  40           H        GLY  40  -0.034  -0.663  -3.241
  308   1HA   GLY  40          2HA       GLY  40  -2.789   0.240  -3.740
  309   2HA   GLY  40          1HA       GLY  40  -1.574   1.363  -3.103
  310    H    VAL  41           H        VAL  41   0.666   0.769  -4.468
  311    HA   VAL  41           HA       VAL  41   0.416   2.094  -6.900
  312    HB   VAL  41           HB       VAL  41   2.592   1.748  -5.784
  313   1HG1  VAL  41          1HG1      VAL  41   3.674  -0.297  -5.622
  314   2HG1  VAL  41          2HG1      VAL  41   2.682  -1.036  -6.880
  315   3HG1  VAL  41          3HG1      VAL  41   1.996  -0.721  -5.285
  316   1HG2  VAL  41          1HG2      VAL  41   3.654   0.677  -8.067
  317   2HG2  VAL  41          2HG2      VAL  41   3.212   2.369  -7.845
  318   3HG2  VAL  41          3HG2      VAL  41   2.085   1.258  -8.621
  319    H    HIS  42           H        HIS  42   0.318  -1.317  -6.103
  320    HA   HIS  42           HA       HIS  42  -0.087  -2.165  -8.818
  321   1HB   HIS  42          2HB       HIS  42   0.825  -3.969  -7.800
  322   2HB   HIS  42          1HB       HIS  42   0.393  -3.386  -6.202
  323    HD1  HIS  42           1HD      HIS  42  -1.495  -4.984  -9.118
  324    HD2  HIS  42           2HD      HIS  42  -1.258  -5.081  -4.963
  325    HE1  HIS  42           1HE      HIS  42  -3.146  -6.740  -8.397
  326    HE2  HIS  42           2HE      HIS  42  -3.002  -6.773  -5.879
  327    H    VAL  43           H        VAL  43  -1.974  -1.352  -5.995
  328    HA   VAL  43           HA       VAL  43  -4.446  -2.049  -7.395
  329    HB   VAL  43           HB       VAL  43  -4.152  -1.238  -4.467
  330   1HG1  VAL  43          1HG1      VAL  43  -6.405  -1.967  -6.281
  331   2HG1  VAL  43          2HG1      VAL  43  -6.356  -0.838  -4.928
  332   3HG1  VAL  43          3HG1      VAL  43  -6.455  -2.570  -4.627
  333   1HG2  VAL  43          1HG2      VAL  43  -4.937  -3.969  -4.925
  334   2HG2  VAL  43          2HG2      VAL  43  -3.568  -3.339  -4.009
  335   3HG2  VAL  43          3HG2      VAL  43  -3.403  -3.651  -5.737
  336    H    ALA  44           H        ALA  44  -3.151   0.194  -8.444
  337    HA   ALA  44           HA       ALA  44  -3.525   2.379  -9.023
  338   1HB   ALA  44          1HB       ALA  44  -5.672   2.791  -9.535
  339   2HB   ALA  44          2HB       ALA  44  -6.221   2.517  -7.882
  340   3HB   ALA  44          3HB       ALA  44  -5.955   1.148  -8.960
  341    H    GLU  45           H        GLU  45  -1.959   2.776  -7.242
  342    HA   GLU  45           HA       GLU  45  -2.752   3.491  -4.681
  343   1HB   GLU  45          2HB       GLU  45  -0.413   3.045  -5.327
  344   2HB   GLU  45          1HB       GLU  45  -0.372   4.573  -6.189
  345   1HG   GLU  45          2HG       GLU  45  -0.894   5.697  -4.012
  346   2HG   GLU  45          1HG       GLU  45  -0.664   4.134  -3.235
  347    H    ASP  46           H        ASP  46  -1.803   5.728  -7.294
  348    HA   ASP  46           HA       ASP  46  -2.982   7.950  -5.865
  349   1HB   ASP  46          2HB       ASP  46  -1.601   7.826  -8.550
  350   2HB   ASP  46          1HB       ASP  46  -2.114   9.306  -7.747
  351    H    VAL  47           H        VAL  47  -4.701   5.750  -7.052
  352    HA   VAL  47           HA       VAL  47  -6.374   7.473  -8.755
  353    HB   VAL  47           HB       VAL  47  -6.273   4.451  -8.699
  354   1HG1  VAL  47          1HG1      VAL  47  -8.464   5.677  -9.293
  355   2HG1  VAL  47          2HG1      VAL  47  -7.876   4.427 -10.388
  356   3HG1  VAL  47          3HG1      VAL  47  -7.631   6.127 -10.782
  357   1HG2  VAL  47          1HG2      VAL  47  -4.591   6.332 -10.023
  358   2HG2  VAL  47          2HG2      VAL  47  -5.563   5.496 -11.233
  359   3HG2  VAL  47          3HG2      VAL  47  -4.565   4.571 -10.111
  360    H    ALA  48           H        ALA  48  -6.316   5.099  -6.135
  361    HA   ALA  48           HA       ALA  48  -9.167   5.437  -5.689
  362   1HB   ALA  48          1HB       ALA  48  -8.563   3.865  -3.694
  363   2HB   ALA  48          2HB       ALA  48  -7.070   3.633  -4.604
  364   3HB   ALA  48          3HB       ALA  48  -8.619   3.251  -5.344
  365    H    LYS  49           H        LYS  49  -6.148   6.541  -4.262
  366    HA   LYS  49           HA       LYS  49  -7.042   7.341  -1.761
  367   1HB   LYS  49          2HB       LYS  49  -4.701   7.449  -2.239
  368   2HB   LYS  49          1HB       LYS  49  -4.961   8.548  -3.570
  369   1HG   LYS  49          2HG       LYS  49  -5.737  10.255  -1.938
  370   2HG   LYS  49          1HG       LYS  49  -5.297   9.140  -0.643
  371   1HD   LYS  49          2HD       LYS  49  -3.431  10.288  -2.718
  372   2HD   LYS  49          1HD       LYS  49  -3.525  10.770  -1.024
  373   1HE   LYS  49          2HE       LYS  49  -2.761   8.041  -2.052
  374   2HE   LYS  49          1HE       LYS  49  -1.651   9.254  -1.418
  375   1HZ   LYS  49          1HZ       LYS  49  -3.714   8.787   0.446
  376   2HZ   LYS  49          2HZ       LYS  49  -2.050   8.543   0.625
  377   3HZ   LYS  49          3HZ       LYS  49  -3.023   7.308   0.005
  378    H    ASP  50           H        ASP  50  -6.615   9.565  -4.485
  379    HA   ASP  50           HA       ASP  50  -7.893  11.714  -3.459
  380   1HB   ASP  50          2HB       ASP  50  -7.918  10.762  -6.301
  381   2HB   ASP  50          1HB       ASP  50  -8.439  12.370  -5.814
  382    H    TYR  51           H        TYR  51  -9.383   8.867  -4.706
  383    HA   TYR  51           HA       TYR  51 -12.025   9.904  -4.856
  384   1HB   TYR  51          2HB       TYR  51 -11.391   7.982  -6.158
  385   2HB   TYR  51          1HB       TYR  51 -10.978   7.133  -4.672
  386    HD1  TYR  51           1HD      TYR  51 -13.819   8.538  -6.599
  387    HD2  TYR  51           2HD      TYR  51 -12.607   5.995  -3.423
  388    HE1  TYR  51           1HE      TYR  51 -16.131   7.727  -6.379
  389    HE2  TYR  51           2HE      TYR  51 -14.923   5.173  -3.186
  390    HH   TYR  51           HH       TYR  51 -16.954   4.983  -4.576
  391    H    GLU  52           H        GLU  52 -10.383   7.766  -2.573
  392    HA   GLU  52           HA       GLU  52 -12.623   7.778  -0.742
  393   1HB   GLU  52          2HB       GLU  52 -10.324   6.162  -1.208
  394   2HB   GLU  52          1HB       GLU  52 -10.304   6.682   0.473
  395   1HG   GLU  52          2HG       GLU  52 -11.426   4.553   0.228
  396   2HG   GLU  52          1HG       GLU  52 -12.554   5.793   0.767
  397    H    ASP  53           H        ASP  53  -9.244   8.686  -0.576
  398    HA   ASP  53           HA       ASP  53  -8.881   9.798   1.801
  399   1HB   ASP  53          2HB       ASP  53  -7.149  11.100   0.861
  400   2HB   ASP  53          1HB       ASP  53  -7.341   9.725  -0.234
  401    H    GLY  54           H        GLY  54 -10.911  11.192  -0.701
  402   1HA   GLY  54          2HA       GLY  54 -11.375  13.593   0.904
  403   2HA   GLY  54          1HA       GLY  54 -11.924  13.324  -0.745
  404    H    LEU  55           H        LEU  55 -13.171  10.816  -0.416
  405    HA   LEU  55           HA       LEU  55 -15.703  11.617   0.562
  406   1HB   LEU  55          2HB       LEU  55 -14.588   8.945  -0.254
  407   2HB   LEU  55          1HB       LEU  55 -16.254   9.171   0.234
  408    HG   LEU  55           HG       LEU  55 -14.901  10.427  -2.151
  409   1HD1  LEU  55          1HD1      LEU  55 -17.105   9.072  -3.024
  410   2HD1  LEU  55          2HD1      LEU  55 -16.513   8.027  -1.731
  411   3HD1  LEU  55          3HD1      LEU  55 -15.450   8.464  -3.069
  412   1HD2  LEU  55          1HD2      LEU  55 -17.273  11.199  -0.666
  413   2HD2  LEU  55          2HD2      LEU  55 -17.620  10.851  -2.360
  414   3HD2  LEU  55          3HD2      LEU  55 -16.403  12.057  -1.938
  415    H    GLU  56           H        GLU  56 -13.922   8.759   1.644
  416    HA   GLU  56           HA       GLU  56 -15.073   9.092   4.302
  417   1HB   GLU  56          2HB       GLU  56 -14.944   6.922   2.900
  418   2HB   GLU  56          1HB       GLU  56 -13.293   6.822   3.478
  419   1HG   GLU  56          2HG       GLU  56 -15.753   6.951   5.221
  420   2HG   GLU  56          1HG       GLU  56 -14.836   5.495   4.844
  421    H    TYR  57           H        TYR  57 -13.414  11.095   4.088
  422    HA   TYR  57           HA       TYR  57 -10.701  10.829   4.410
  423   1HB   TYR  57          2HB       TYR  57 -11.782  13.003   4.205
  424   2HB   TYR  57          1HB       TYR  57 -12.542  12.802   5.782
  425    HD1  TYR  57           1HD      TYR  57  -9.037  12.231   4.626
  426    HD2  TYR  57           2HD      TYR  57 -11.642  14.376   7.217
  427    HE1  TYR  57           1HE      TYR  57  -7.092  13.292   5.693
  428    HE2  TYR  57           2HE      TYR  57  -9.703  15.444   8.291
  429    HH   TYR  57           HH       TYR  57  -6.512  15.184   6.999
  Start of MODEL   19
    1   1H    GLY   1          1HT       GLY   1 -21.849   5.576  -9.714
    2   2H    GLY   1          2HT       GLY   1 -21.275   3.986  -9.779
    3   3H    GLY   1          3HT       GLY   1 -20.468   5.138  -8.839
    4   1HA   GLY   1          1HA       GLY   1 -23.058   5.176  -7.919
    5   2HA   GLY   1          2HA       GLY   1 -22.677   3.479  -8.158
    6    H    SER   2           H        SER   2 -19.988   3.426  -7.545
    7    HA   SER   2           HA       SER   2 -20.027   3.263  -4.748
    8   1HB   SER   2          2HB       SER   2 -17.590   2.893  -4.929
    9   2HB   SER   2          1HB       SER   2 -18.486   1.942  -6.110
   10    HG   SER   2           HG       SER   2 -18.031   3.771  -7.581
   11    H    GLN   3           H        GLN   3 -19.514   4.645  -3.153
   12    HA   GLN   3           HA       GLN   3 -17.828   6.859  -3.302
   13   1HB   GLN   3          2HB       GLN   3 -19.481   7.799  -4.838
   14   2HB   GLN   3          1HB       GLN   3 -20.751   7.548  -3.650
   15   1HG   GLN   3          2HG       GLN   3 -19.675   9.135  -2.150
   16   2HG   GLN   3          1HG       GLN   3 -18.386   9.376  -3.322
   17   1HE2  GLN   3          1HE2      GLN   3 -21.151   9.020  -5.123
   18   2HE2  GLN   3          2HE2      GLN   3 -21.597  10.676  -5.260
   19    H    VAL   4           H        VAL   4 -17.753   8.055  -1.338
   20    HA   VAL   4           HA       VAL   4 -17.780   6.970   1.042
   21    HB   VAL   4           HB       VAL   4 -17.605   9.415   0.132
   22   1HG1  VAL   4          1HG1      VAL   4 -19.103  10.959   1.440
   23   2HG1  VAL   4          2HG1      VAL   4 -20.173   9.574   1.639
   24   3HG1  VAL   4          3HG1      VAL   4 -19.797  10.175   0.023
   25   1HG2  VAL   4          1HG2      VAL   4 -16.957  10.154   2.306
   26   2HG2  VAL   4          2HG2      VAL   4 -16.606   8.431   2.217
   27   3HG2  VAL   4          3HG2      VAL   4 -18.037   8.991   3.072
   28    H    PHE   5           H        PHE   5 -20.428   8.406  -0.416
   29    HA   PHE   5           HA       PHE   5 -22.491   8.043   1.451
   30   1HB   PHE   5          2HB       PHE   5 -22.758   9.474  -0.518
   31   2HB   PHE   5          1HB       PHE   5 -22.690   8.066  -1.573
   32    HD1  PHE   5           1HD      PHE   5 -24.539   8.568   1.616
   33    HD2  PHE   5           2HD      PHE   5 -24.763   7.952  -2.589
   34    HE1  PHE   5           1HE      PHE   5 -26.983   8.330   1.784
   35    HE2  PHE   5           2HE      PHE   5 -27.205   7.713  -2.429
   36    HZ   PHE   5           HZ       PHE   5 -28.319   7.903  -0.239
   37    H    GLU   6           H        GLU   6 -22.131   6.088  -1.532
   38    HA   GLU   6           HA       GLU   6 -23.689   3.936  -0.502
   39   1HB   GLU   6          2HB       GLU   6 -21.720   3.968  -2.804
   40   2HB   GLU   6          1HB       GLU   6 -22.885   2.691  -2.479
   41   1HG   GLU   6          2HG       GLU   6 -23.543   5.545  -3.178
   42   2HG   GLU   6          1HG       GLU   6 -23.642   4.160  -4.263
   43    H    TYR   7           H        TYR   7 -20.252   4.054  -1.383
   44    HA   TYR   7           HA       TYR   7 -18.411   3.057  -0.523
   45   1HB   TYR   7          2HB       TYR   7 -19.720   4.466   1.418
   46   2HB   TYR   7          1HB       TYR   7 -19.522   2.900   2.185
   47    HD1  TYR   7           1HD      TYR   7 -16.889   2.154   0.917
   48    HD2  TYR   7           2HD      TYR   7 -18.261   5.727   2.747
   49    HE1  TYR   7           1HE      TYR   7 -14.548   2.796   1.432
   50    HE2  TYR   7           2HE      TYR   7 -15.961   6.383   3.272
   51    HH   TYR   7           HH       TYR   7 -13.355   5.140   1.800
   52    H    ALA   8           H        ALA   8 -20.315   1.201  -1.565
   53    HA   ALA   8           HA       ALA   8 -19.874  -1.052   0.270
   54   1HB   ALA   8          1HB       ALA   8 -22.066  -1.154  -1.754
   55   2HB   ALA   8          2HB       ALA   8 -22.315  -0.231  -0.271
   56   3HB   ALA   8          3HB       ALA   8 -21.944  -1.952  -0.186
   57    H    GLU   9           H        GLU   9 -17.928  -0.299  -1.454
   58    HA   GLU   9           HA       GLU   9 -17.753  -1.301  -3.951
   59   1HB   GLU   9          2HB       GLU   9 -15.383  -2.050  -2.503
   60   2HB   GLU   9          1HB       GLU   9 -15.600  -0.794  -3.687
   61   1HG   GLU   9          2HG       GLU   9 -16.480  -0.166  -0.954
   62   2HG   GLU   9          1HG       GLU   9 -14.832  -0.404  -1.205
   63    H    VAL  10           H        VAL  10 -16.875  -2.920  -0.963
   64    HA   VAL  10           HA       VAL  10 -16.527  -5.138  -0.451
   65    HB   VAL  10           HB       VAL  10 -19.155  -4.954  -1.830
   66   1HG1  VAL  10          1HG1      VAL  10 -18.987  -7.234  -2.103
   67   2HG1  VAL  10          2HG1      VAL  10 -19.549  -7.199  -0.431
   68   3HG1  VAL  10          3HG1      VAL  10 -17.832  -7.403  -0.781
   69   1HG2  VAL  10          1HG2      VAL  10 -19.907  -5.377   0.593
   70   2HG2  VAL  10          2HG2      VAL  10 -19.244  -3.801   0.164
   71   3HG2  VAL  10          3HG2      VAL  10 -18.239  -4.981   1.005
   72    H    ASP  11           H        ASP  11 -15.117  -4.315  -2.551
   73    HA   ASP  11           HA       ASP  11 -13.958  -6.376  -3.778
   74   1HB   ASP  11          2HB       ASP  11 -15.978  -7.165  -4.807
   75   2HB   ASP  11          1HB       ASP  11 -16.371  -5.556  -5.404
   76    H    GLU  12           H        GLU  12 -15.046  -3.050  -4.042
   77    HA   GLU  12           HA       GLU  12 -12.698  -2.459  -5.762
   78   1HB   GLU  12          2HB       GLU  12 -15.239  -0.872  -5.588
   79   2HB   GLU  12          1HB       GLU  12 -13.926  -0.638  -6.735
   80   1HG   GLU  12          2HG       GLU  12 -14.413  -2.837  -7.716
   81   2HG   GLU  12          1HG       GLU  12 -15.760  -3.022  -6.593
   82    H    ILE  13           H        ILE  13 -11.485  -2.199  -3.685
   83    HA   ILE  13           HA       ILE  13 -10.842  -1.133  -1.784
   84    HB   ILE  13           HB       ILE  13  -9.773   1.037  -2.349
   85   1HG1  ILE  13          2HG1      ILE  13 -11.626   1.761  -3.938
   86   2HG1  ILE  13          1HG1      ILE  13  -9.980   2.050  -4.486
   87   1HG2  ILE  13          1HG2      ILE  13  -9.317  -0.886  -4.602
   88   2HG2  ILE  13          2HG2      ILE  13  -8.925  -1.310  -2.940
   89   3HG2  ILE  13          3HG2      ILE  13  -8.145   0.076  -3.701
   90   1HD1  ILE  13          1HD1      ILE  13 -10.398   0.931  -6.341
   91   2HD1  ILE  13          2HD1      ILE  13 -12.055   0.668  -5.798
   92   3HD1  ILE  13          3HD1      ILE  13 -10.802  -0.509  -5.406
   93    H    VAL  14           H        VAL  14 -11.603  -0.325  -0.013
   94    HA   VAL  14           HA       VAL  14 -13.700   1.718  -0.102
   95    HB   VAL  14           HB       VAL  14 -13.647  -0.807   1.267
   96   1HG1  VAL  14          1HG1      VAL  14 -13.871   1.517   3.191
   97   2HG1  VAL  14          2HG1      VAL  14 -12.570   0.326   3.168
   98   3HG1  VAL  14          3HG1      VAL  14 -14.216  -0.173   3.557
   99   1HG2  VAL  14          1HG2      VAL  14 -15.839  -0.531   1.026
  100   2HG2  VAL  14          2HG2      VAL  14 -15.489   1.052   0.346
  101   3HG2  VAL  14          3HG2      VAL  14 -15.823   0.891   2.061
  102    H    GLU  15           H        GLU  15 -10.597   0.724   1.292
  103    HA   GLU  15           HA       GLU  15 -10.574   3.443   2.446
  104   1HB   GLU  15          2HB       GLU  15 -10.737   1.069   3.959
  105   2HB   GLU  15          1HB       GLU  15  -9.093   1.691   4.169
  106   1HG   GLU  15          2HG       GLU  15 -10.001   3.918   4.705
  107   2HG   GLU  15          1HG       GLU  15 -11.629   3.247   4.607
  108    H    LYS  16           H        LYS  16  -8.320   3.833   3.562
  109    HA   LYS  16           HA       LYS  16  -6.033   2.823   2.223
  110   1HB   LYS  16          2HB       LYS  16  -5.559   4.937   0.948
  111   2HB   LYS  16          1HB       LYS  16  -6.881   3.953   0.378
  112   1HG   LYS  16          2HG       LYS  16  -7.480   6.291   0.275
  113   2HG   LYS  16          1HG       LYS  16  -8.500   5.430   1.418
  114   1HD   LYS  16          2HD       LYS  16  -6.106   6.641   2.588
  115   2HD   LYS  16          1HD       LYS  16  -7.244   7.793   1.898
  116   1HE   LYS  16          2HE       LYS  16  -9.050   6.767   3.219
  117   2HE   LYS  16          1HE       LYS  16  -7.878   5.676   3.952
  118   1HZ   LYS  16          1HZ       LYS  16  -8.576   8.204   4.811
  119   2HZ   LYS  16          2HZ       LYS  16  -7.009   8.357   4.194
  120   3HZ   LYS  16          3HZ       LYS  16  -7.331   7.229   5.414
  121    H    ARG  17           H        ARG  17  -4.321   5.032   2.380
  122    HA   ARG  17           HA       ARG  17  -3.046   6.252   3.801
  123   1HB   ARG  17          2HB       ARG  17  -5.439   7.222   4.283
  124   2HB   ARG  17          1HB       ARG  17  -5.257   6.383   5.816
  125   1HG   ARG  17          2HG       ARG  17  -3.349   8.436   4.727
  126   2HG   ARG  17          1HG       ARG  17  -4.603   8.747   5.929
  127   1HD   ARG  17          2HD       ARG  17  -3.538   7.130   7.438
  128   2HD   ARG  17          1HD       ARG  17  -2.277   6.849   6.237
  129    HE   ARG  17           HE       ARG  17  -2.404   8.991   8.091
  130   1HH1  ARG  17          1HH1      ARG  17  -1.424   8.213   4.835
  131   2HH1  ARG  17          2HH1      ARG  17  -0.291   9.518   4.728
  132   1HH2  ARG  17          1HH2      ARG  17  -0.915  10.721   7.945
  133   2HH2  ARG  17          2HH2      ARG  17  -0.001  10.936   6.490
  134    H    GLY  18           H        GLY  18  -2.524   3.669   3.894
  135   1HA   GLY  18          2HA       GLY  18  -2.884   2.317   6.331
  136   2HA   GLY  18          1HA       GLY  18  -1.652   1.958   5.138
  137    H    LYS  19           H        LYS  19  -0.126   1.466   6.667
  138    HA   LYS  19           HA       LYS  19   0.583   2.892   8.927
  139   1HB   LYS  19          2HB       LYS  19   2.462   1.389   7.103
  140   2HB   LYS  19          1HB       LYS  19   2.745   1.776   8.791
  141   1HG   LYS  19          2HG       LYS  19   0.995   0.298   9.489
  142   2HG   LYS  19          1HG       LYS  19   0.500   0.020   7.818
  143   1HD   LYS  19          2HD       LYS  19   2.710  -0.989   7.366
  144   2HD   LYS  19          1HD       LYS  19   3.140  -0.767   9.062
  145   1HE   LYS  19          2HE       LYS  19   0.883  -2.460   7.994
  146   2HE   LYS  19          1HE       LYS  19   2.412  -3.053   8.640
  147   1HZ   LYS  19          1HZ       LYS  19   1.184  -3.222  10.506
  148   2HZ   LYS  19          2HZ       LYS  19   0.079  -2.030  10.040
  149   3HZ   LYS  19          3HZ       LYS  19   1.581  -1.586  10.681
  150    H    GLY  20           H        GLY  20   2.706   4.045   9.260
  151   1HA   GLY  20          2HA       GLY  20   2.723   6.478   7.934
  152   2HA   GLY  20          1HA       GLY  20   4.079   5.838   8.855
  153    H    LYS  21           H        LYS  21   4.521   3.533   7.216
  154    HA   LYS  21           HA       LYS  21   5.422   4.795   4.712
  155   1HB   LYS  21          2HB       LYS  21   7.278   4.409   6.353
  156   2HB   LYS  21          1HB       LYS  21   6.939   2.686   6.256
  157   1HG   LYS  21          2HG       LYS  21   8.818   3.283   4.838
  158   2HG   LYS  21          1HG       LYS  21   7.459   2.713   3.868
  159   1HD   LYS  21          2HD       LYS  21   8.497   4.679   2.858
  160   2HD   LYS  21          1HD       LYS  21   6.840   5.021   3.363
  161   1HE   LYS  21          2HE       LYS  21   8.330   6.861   3.945
  162   2HE   LYS  21          1HE       LYS  21   7.678   6.096   5.392
  163   1HZ   LYS  21          1HZ       LYS  21  10.220   6.644   5.155
  164   2HZ   LYS  21          2HZ       LYS  21  10.251   5.144   4.375
  165   3HZ   LYS  21          3HZ       LYS  21   9.695   5.257   5.969
  166    H    ASP  22           H        ASP  22   3.031   3.595   4.693
  167    HA   ASP  22           HA       ASP  22   3.251   1.664   2.695
  168   1HB   ASP  22          2HB       ASP  22   4.008   0.177   4.505
  169   2HB   ASP  22          1HB       ASP  22   2.533   0.516   5.402
  170    H    VAL  23           H        VAL  23   1.658   2.522   1.610
  171    HA   VAL  23           HA       VAL  23  -0.972   2.844   2.903
  172    HB   VAL  23           HB       VAL  23   0.007   4.241   0.421
  173   1HG1  VAL  23          1HG1      VAL  23  -2.187   4.593   0.180
  174   2HG1  VAL  23          2HG1      VAL  23  -2.011   5.741   1.508
  175   3HG1  VAL  23          3HG1      VAL  23  -2.541   4.090   1.834
  176   1HG2  VAL  23          1HG2      VAL  23   1.331   4.930   2.375
  177   2HG2  VAL  23          2HG2      VAL  23  -0.156   5.336   3.231
  178   3HG2  VAL  23          3HG2      VAL  23   0.303   6.239   1.787
  179    H    GLU  24           H        GLU  24  -2.808   2.123   1.752
  180    HA   GLU  24           HA       GLU  24  -2.498   0.949  -0.821
  181   1HB   GLU  24          2HB       GLU  24  -3.347  -1.332   0.054
  182   2HB   GLU  24          1HB       GLU  24  -1.650  -0.935   0.110
  183   1HG   GLU  24          2HG       GLU  24  -3.256  -0.295   2.473
  184   2HG   GLU  24          1HG       GLU  24  -2.897  -1.987   2.169
  185    H    TYR  25           H        TYR  25  -4.377   0.001  -1.695
  186    HA   TYR  25           HA       TYR  25  -6.863   0.954  -0.475
  187   1HB   TYR  25          2HB       TYR  25  -6.104   1.185  -3.411
  188   2HB   TYR  25          1HB       TYR  25  -7.651   1.665  -2.686
  189    HD1  TYR  25           1HD      TYR  25  -4.009   2.188  -2.210
  190    HD2  TYR  25           2HD      TYR  25  -7.909   3.813  -2.091
  191    HE1  TYR  25           1HE      TYR  25  -3.086   4.396  -1.677
  192    HE2  TYR  25           2HE      TYR  25  -7.035   6.007  -1.606
  193    HH   TYR  25           HH       TYR  25  -5.077   7.071  -0.743
  194    H    LEU  26           H        LEU  26  -7.757  -0.786   0.128
  195    HA   LEU  26           HA       LEU  26  -9.036  -2.605  -1.485
  196   1HB   LEU  26          2HB       LEU  26  -6.261  -3.275  -0.792
  197   2HB   LEU  26          1HB       LEU  26  -7.403  -4.577  -0.630
  198    HG   LEU  26           HG       LEU  26  -6.182  -3.370  -3.027
  199   1HD1  LEU  26          1HD1      LEU  26  -6.514  -5.692  -3.849
  200   2HD1  LEU  26          2HD1      LEU  26  -7.212  -6.082  -2.277
  201   3HD1  LEU  26          3HD1      LEU  26  -5.537  -5.543  -2.390
  202   1HD2  LEU  26          1HD2      LEU  26  -8.154  -2.750  -3.936
  203   2HD2  LEU  26          2HD2      LEU  26  -9.097  -3.788  -2.878
  204   3HD2  LEU  26          3HD2      LEU  26  -8.281  -4.473  -4.270
  205    H    VAL  27           H        VAL  27 -10.283  -1.564   0.359
  206    HA   VAL  27           HA       VAL  27 -10.076  -3.284   2.708
  207    HB   VAL  27           HB       VAL  27 -10.639  -0.367   2.835
  208   1HG1  VAL  27          1HG1      VAL  27 -11.293  -2.340   4.626
  209   2HG1  VAL  27          2HG1      VAL  27 -11.131  -0.624   4.997
  210   3HG1  VAL  27          3HG1      VAL  27  -9.772  -1.716   5.256
  211   1HG2  VAL  27          1HG2      VAL  27  -8.356  -0.414   4.064
  212   2HG2  VAL  27          2HG2      VAL  27  -8.388  -0.397   2.300
  213   3HG2  VAL  27          3HG2      VAL  27  -8.104  -1.910   3.162
  214    H    ARG  28           H        ARG  28 -11.941  -3.605   0.564
  215    HA   ARG  28           HA       ARG  28 -14.464  -2.790   1.833
  216   1HB   ARG  28          2HB       ARG  28 -15.057  -3.165  -0.817
  217   2HB   ARG  28          1HB       ARG  28 -14.827  -1.641  -0.006
  218   1HG   ARG  28          2HG       ARG  28 -13.566  -1.539  -1.954
  219   2HG   ARG  28          1HG       ARG  28 -12.384  -1.840  -0.698
  220   1HD   ARG  28          2HD       ARG  28 -13.416  -4.261  -1.815
  221   2HD   ARG  28          1HD       ARG  28 -12.707  -3.289  -3.029
  222    HE   ARG  28           HE       ARG  28 -10.908  -3.362  -0.950
  223   1HH1  ARG  28          1HH1      ARG  28 -12.318  -5.554  -3.249
  224   2HH1  ARG  28          2HH1      ARG  28 -11.035  -6.707  -3.134
  225   1HH2  ARG  28          1HH2      ARG  28  -9.245  -4.884  -0.770
  226   2HH2  ARG  28          2HH2      ARG  28  -9.280  -6.321  -1.730
  227    H    TRP  29           H        TRP  29 -13.062  -5.123  -0.333
  228    HA   TRP  29           HA       TRP  29 -15.140  -6.715  -0.784
  229   1HB   TRP  29          2HB       TRP  29 -13.487  -8.545  -1.160
  230   2HB   TRP  29          1HB       TRP  29 -13.158  -7.038  -1.993
  231    HD1  TRP  29           HD       TRP  29 -10.858  -8.984  -1.852
  232    HE1  TRP  29           1HE      TRP  29  -8.729  -8.582  -0.458
  233    HE3  TRP  29           3HE      TRP  29 -12.586  -5.504   1.545
  234    HZ2  TRP  29           2HZ      TRP  29  -7.886  -7.054   1.675
  235    HZ3  TRP  29           3HZ      TRP  29 -11.066  -4.651   3.207
  236    HH2  TRP  29           HH       TRP  29  -8.747  -5.422   3.265
  237    H    LYS  30           H        LYS  30 -12.844  -8.120   1.383
  238    HA   LYS  30           HA       LYS  30 -14.933  -9.383   2.871
  239   1HB   LYS  30          2HB       LYS  30 -13.052 -10.759   2.243
  240   2HB   LYS  30          1HB       LYS  30 -11.923  -9.651   3.008
  241   1HG   LYS  30          2HG       LYS  30 -12.892 -10.192   5.195
  242   2HG   LYS  30          1HG       LYS  30 -14.002 -11.319   4.413
  243   1HD   LYS  30          2HD       LYS  30 -10.990 -11.500   4.388
  244   2HD   LYS  30          1HD       LYS  30 -12.075 -12.484   5.372
  245   1HE   LYS  30          2HE       LYS  30 -13.084 -13.401   3.341
  246   2HE   LYS  30          1HE       LYS  30 -12.007 -12.413   2.357
  247   1HZ   LYS  30          1HZ       LYS  30 -10.127 -13.593   3.453
  248   2HZ   LYS  30          2HZ       LYS  30 -11.093 -14.583   2.479
  249   3HZ   LYS  30          3HZ       LYS  30 -11.251 -14.641   4.162
  250    H    ASP  31           H        ASP  31 -11.991  -8.443   4.500
  251    HA   ASP  31           HA       ASP  31 -11.686  -7.386   6.489
  252   1HB   ASP  31          2HB       ASP  31 -12.189  -4.981   6.359
  253   2HB   ASP  31          1HB       ASP  31 -11.488  -5.577   4.859
  254    H    GLY  32           H        GLY  32 -12.967  -5.620   7.987
  255   1HA   GLY  32          2HA       GLY  32 -15.627  -5.683   8.512
  256   2HA   GLY  32          1HA       GLY  32 -15.039  -7.182   9.223
  257    H    GLY  33           H        GLY  33 -12.921  -6.823  10.519
  258   1HA   GLY  33          2HA       GLY  33 -13.535  -4.780  12.505
  259   2HA   GLY  33          1HA       GLY  33 -12.373  -6.091  12.677
  260    H    ASP  34           H        ASP  34 -10.804  -5.787  10.486
  261    HA   ASP  34           HA       ASP  34  -9.704  -3.063  10.695
  262   1HB   ASP  34          2HB       ASP  34  -8.078  -5.614  10.634
  263   2HB   ASP  34          1HB       ASP  34  -7.448  -3.975  10.746
  264    H    CYS  35           H        CYS  35  -8.157  -2.572   8.914
  265    HA   CYS  35           HA       CYS  35  -9.315  -3.242   6.380
  266   1HB   CYS  35          2HB       CYS  35  -6.701  -1.808   6.932
  267   2HB   CYS  35          1HB       CYS  35  -7.642  -1.753   5.445
  268    HG   CYS  35           HG       CYS  35  -8.625  -0.449   8.454
  269    H    GLU  36           H        GLU  36  -8.424  -4.463   4.731
  270    HA   GLU  36           HA       GLU  36  -6.106  -6.132   5.448
  271   1HB   GLU  36          2HB       GLU  36  -7.893  -7.522   3.629
  272   2HB   GLU  36          1HB       GLU  36  -7.208  -8.058   5.153
  273   1HG   GLU  36          2HG       GLU  36  -9.560  -6.217   5.100
  274   2HG   GLU  36          1HG       GLU  36  -9.757  -7.956   4.889
  275    H    TRP  37           H        TRP  37  -6.476  -3.711   3.583
  276    HA   TRP  37           HA       TRP  37  -6.303  -4.552   0.938
  277   1HB   TRP  37          2HB       TRP  37  -4.676  -2.508   0.744
  278   2HB   TRP  37          1HB       TRP  37  -6.405  -2.364   0.879
  279    HD1  TRP  37           HD       TRP  37  -6.102  -0.073   1.572
  280    HE1  TRP  37           1HE      TRP  37  -5.593   1.079   3.860
  281    HE3  TRP  37           3HE      TRP  37  -4.196  -4.062   4.013
  282    HZ2  TRP  37           2HZ      TRP  37  -4.497   0.288   6.352
  283    HZ3  TRP  37           3HZ      TRP  37  -3.428  -3.824   6.328
  284    HH2  TRP  37           HH       TRP  37  -3.575  -1.678   7.479
  285    H    VAL  38           H        VAL  38  -3.947  -3.909  -0.231
  286    HA   VAL  38           HA       VAL  38  -2.035  -5.719   1.078
  287    HB   VAL  38           HB       VAL  38  -2.477  -5.403  -1.886
  288   1HG1  VAL  38          1HG1      VAL  38  -0.969  -7.592  -1.703
  289   2HG1  VAL  38          2HG1      VAL  38  -0.373  -6.735  -0.280
  290   3HG1  VAL  38          3HG1      VAL  38  -0.279  -5.977  -1.870
  291   1HG2  VAL  38          1HG2      VAL  38  -3.670  -7.350  -1.898
  292   2HG2  VAL  38          2HG2      VAL  38  -4.122  -6.744  -0.305
  293   3HG2  VAL  38          3HG2      VAL  38  -2.873  -7.978  -0.455
  294    H    LYS  39           H        LYS  39  -1.993  -3.514  -1.643
  295    HA   LYS  39           HA       LYS  39  -0.070  -1.749  -0.408
  296   1HB   LYS  39          2HB       LYS  39   1.337  -3.599  -1.294
  297   2HB   LYS  39          1HB       LYS  39   0.692  -3.298  -2.903
  298   1HG   LYS  39          2HG       LYS  39   1.708  -1.125  -2.965
  299   2HG   LYS  39          1HG       LYS  39   2.224  -1.274  -1.284
  300   1HD   LYS  39          2HD       LYS  39   4.090  -1.721  -2.771
  301   2HD   LYS  39          1HD       LYS  39   3.638  -3.189  -1.906
  302   1HE   LYS  39          2HE       LYS  39   2.371  -3.943  -3.865
  303   2HE   LYS  39          1HE       LYS  39   2.850  -2.482  -4.731
  304   1HZ   LYS  39          1HZ       LYS  39   5.211  -3.234  -4.294
  305   2HZ   LYS  39          2HZ       LYS  39   4.331  -4.135  -5.424
  306   3HZ   LYS  39          3HZ       LYS  39   4.559  -4.734  -3.859
  307    H    GLY  40           H        GLY  40  -0.242   0.264  -1.165
  308   1HA   GLY  40          2HA       GLY  40  -2.335   0.839  -3.040
  309   2HA   GLY  40          1HA       GLY  40  -1.339   2.020  -2.199
  310    H    VAL  41           H        VAL  41   1.175   1.514  -2.984
  311    HA   VAL  41           HA       VAL  41   1.501   2.748  -5.399
  312    HB   VAL  41           HB       VAL  41   3.393   2.337  -3.919
  313   1HG1  VAL  41          1HG1      VAL  41   2.823  -0.521  -4.574
  314   2HG1  VAL  41          2HG1      VAL  41   3.178   0.229  -3.018
  315   3HG1  VAL  41          3HG1      VAL  41   4.471  -0.025  -4.191
  316   1HG2  VAL  41          1HG2      VAL  41   3.701   2.725  -6.394
  317   2HG2  VAL  41          2HG2      VAL  41   3.969   0.989  -6.548
  318   3HG2  VAL  41          3HG2      VAL  41   5.059   1.966  -5.563
  319    H    HIS  42           H        HIS  42   0.778  -0.593  -4.774
  320    HA   HIS  42           HA       HIS  42   1.014  -1.324  -7.573
  321   1HB   HIS  42          2HB       HIS  42   1.826  -3.088  -6.362
  322   2HB   HIS  42          1HB       HIS  42   0.819  -2.734  -4.969
  323    HD1  HIS  42           1HD      HIS  42   0.434  -4.259  -8.441
  324    HD2  HIS  42           2HD      HIS  42  -1.225  -4.392  -4.642
  325    HE1  HIS  42           1HE      HIS  42  -1.275  -6.104  -8.527
  326    HE2  HIS  42           2HE      HIS  42  -2.341  -6.100  -6.242
  327    H    VAL  43           H        VAL  43  -1.415  -0.968  -5.018
  328    HA   VAL  43           HA       VAL  43  -3.560  -1.497  -6.916
  329    HB   VAL  43           HB       VAL  43  -3.840  -0.790  -3.975
  330   1HG1  VAL  43          1HG1      VAL  43  -6.010  -2.261  -4.674
  331   2HG1  VAL  43          2HG1      VAL  43  -5.704  -1.388  -6.175
  332   3HG1  VAL  43          3HG1      VAL  43  -5.960  -0.499  -4.673
  333   1HG2  VAL  43          1HG2      VAL  43  -4.235  -3.559  -4.997
  334   2HG2  VAL  43          2HG2      VAL  43  -3.695  -3.001  -3.414
  335   3HG2  VAL  43          3HG2      VAL  43  -2.579  -2.993  -4.778
  336    H    ALA  44           H        ALA  44  -2.030   0.818  -7.468
  337    HA   ALA  44           HA       ALA  44  -2.307   3.009  -8.047
  338   1HB   ALA  44          1HB       ALA  44  -4.282   3.419  -9.015
  339   2HB   ALA  44          2HB       ALA  44  -5.181   3.111  -7.529
  340   3HB   ALA  44          3HB       ALA  44  -4.678   1.764  -8.549
  341    H    GLU  45           H        GLU  45  -1.205   3.191  -5.816
  342    HA   GLU  45           HA       GLU  45  -2.624   4.005  -3.564
  343   1HB   GLU  45          2HB       GLU  45  -0.451   3.516  -3.019
  344   2HB   GLU  45          1HB       GLU  45   0.197   4.256  -4.472
  345   1HG   GLU  45          2HG       GLU  45  -0.969   5.962  -2.313
  346   2HG   GLU  45          1HG       GLU  45   0.667   5.314  -2.145
  347    H    ASP  46           H        ASP  46  -1.026   6.047  -6.002
  348    HA   ASP  46           HA       ASP  46  -2.286   8.375  -4.850
  349   1HB   ASP  46          2HB       ASP  46   0.096   8.274  -5.784
  350   2HB   ASP  46          1HB       ASP  46  -0.641   8.297  -7.380
  351    H    VAL  47           H        VAL  47  -3.955   6.254  -6.190
  352    HA   VAL  47           HA       VAL  47  -5.215   8.005  -8.209
  353    HB   VAL  47           HB       VAL  47  -5.246   4.982  -8.137
  354   1HG1  VAL  47          1HG1      VAL  47  -6.322   6.938 -10.169
  355   2HG1  VAL  47          2HG1      VAL  47  -7.269   5.908  -9.095
  356   3HG1  VAL  47          3HG1      VAL  47  -6.282   5.186 -10.365
  357   1HG2  VAL  47          1HG2      VAL  47  -3.164   5.224  -8.969
  358   2HG2  VAL  47          2HG2      VAL  47  -3.428   6.908  -9.427
  359   3HG2  VAL  47          3HG2      VAL  47  -4.017   5.609 -10.464
  360    H    ALA  48           H        ALA  48  -5.735   5.424  -5.840
  361    HA   ALA  48           HA       ALA  48  -8.565   5.976  -5.753
  362   1HB   ALA  48          1HB       ALA  48  -6.777   4.012  -4.382
  363   2HB   ALA  48          2HB       ALA  48  -8.117   3.721  -5.487
  364   3HB   ALA  48          3HB       ALA  48  -8.436   4.262  -3.841
  365    H    LYS  49           H        LYS  49  -5.753   7.160  -4.169
  366    HA   LYS  49           HA       LYS  49  -6.714   7.796  -1.632
  367   1HB   LYS  49          2HB       LYS  49  -5.011   9.440  -1.480
  368   2HB   LYS  49          1HB       LYS  49  -4.359   8.145  -2.462
  369   1HG   LYS  49          2HG       LYS  49  -4.826   9.450  -4.483
  370   2HG   LYS  49          1HG       LYS  49  -5.438  10.761  -3.473
  371   1HD   LYS  49          2HD       LYS  49  -3.244  10.935  -2.386
  372   2HD   LYS  49          1HD       LYS  49  -2.635   9.651  -3.431
  373   1HE   LYS  49          2HE       LYS  49  -1.977  11.822  -4.291
  374   2HE   LYS  49          1HE       LYS  49  -3.107  11.041  -5.395
  375   1HZ   LYS  49          1HZ       LYS  49  -4.483  12.747  -5.206
  376   2HZ   LYS  49          2HZ       LYS  49  -3.329  13.558  -4.273
  377   3HZ   LYS  49          3HZ       LYS  49  -4.515  12.617  -3.519
  378    H    ASP  50           H        ASP  50  -6.875   9.716  -4.600
  379    HA   ASP  50           HA       ASP  50  -8.387  11.756  -3.441
  380   1HB   ASP  50          2HB       ASP  50  -7.987  10.889  -6.280
  381   2HB   ASP  50          1HB       ASP  50  -9.012  12.264  -5.877
  382    H    TYR  51           H        TYR  51  -9.207   8.677  -4.693
  383    HA   TYR  51           HA       TYR  51 -11.990   9.157  -4.972
  384   1HB   TYR  51          2HB       TYR  51 -10.889   7.341  -6.171
  385   2HB   TYR  51          1HB       TYR  51 -10.491   6.610  -4.617
  386    HD1  TYR  51           1HD      TYR  51 -12.940   6.793  -7.216
  387    HD2  TYR  51           2HD      TYR  51 -12.422   5.999  -3.081
  388    HE1  TYR  51           1HE      TYR  51 -15.137   5.687  -7.159
  389    HE2  TYR  51           2HE      TYR  51 -14.620   4.919  -2.983
  390    HH   TYR  51           HH       TYR  51 -16.406   4.244  -4.176
  391    H    GLU  52           H        GLU  52 -10.031   7.471  -2.568
  392    HA   GLU  52           HA       GLU  52 -12.319   7.323  -0.773
  393   1HB   GLU  52          2HB       GLU  52  -9.821   5.808  -1.113
  394   2HB   GLU  52          1HB       GLU  52 -10.407   5.938   0.531
  395   1HG   GLU  52          2HG       GLU  52 -12.239   4.587   0.104
  396   2HG   GLU  52          1HG       GLU  52 -12.271   5.008  -1.600
  397    H    ASP  53           H        ASP  53  -8.872   8.077  -0.491
  398    HA   ASP  53           HA       ASP  53  -8.719   9.045   2.012
  399   1HB   ASP  53          2HB       ASP  53  -6.979   8.943   0.023
  400   2HB   ASP  53          1HB       ASP  53  -7.411  10.649  -0.145
  401    H    GLY  54           H        GLY  54  -9.813  10.985  -0.799
  402   1HA   GLY  54          2HA       GLY  54 -10.596  13.092   1.090
  403   2HA   GLY  54          1HA       GLY  54 -10.381  13.313  -0.637
  404    H    LEU  55           H        LEU  55 -12.211  10.585   0.499
  405    HA   LEU  55           HA       LEU  55 -14.773  11.824   0.508
  406   1HB   LEU  55          2HB       LEU  55 -14.545  11.923  -1.840
  407   2HB   LEU  55          1HB       LEU  55 -13.757  10.364  -1.898
  408    HG   LEU  55           HG       LEU  55 -15.957   9.386  -1.113
  409   1HD1  LEU  55          1HD1      LEU  55 -17.957  10.687  -1.521
  410   2HD1  LEU  55          2HD1      LEU  55 -16.983  12.070  -2.019
  411   3HD1  LEU  55          3HD1      LEU  55 -16.932  11.512  -0.347
  412   1HD2  LEU  55          1HD2      LEU  55 -16.305   8.828  -3.247
  413   2HD2  LEU  55          2HD2      LEU  55 -14.953   9.896  -3.622
  414   3HD2  LEU  55          3HD2      LEU  55 -16.607  10.501  -3.720
  415    H    GLU  56           H        GLU  56 -13.858   8.671  -0.782
  416    HA   GLU  56           HA       GLU  56 -15.293   7.403   1.360
  417   1HB   GLU  56          2HB       GLU  56 -13.615   6.063  -0.750
  418   2HB   GLU  56          1HB       GLU  56 -14.846   5.323   0.246
  419   1HG   GLU  56          2HG       GLU  56 -16.141   7.395  -0.965
  420   2HG   GLU  56          1HG       GLU  56 -15.076   6.804  -2.224
  421    H    TYR  57           H        TYR  57 -13.547   8.767   2.741
  422    HA   TYR  57           HA       TYR  57 -10.955   7.708   3.000
  423   1HB   TYR  57          2HB       TYR  57 -10.919   8.933   5.172
  424   2HB   TYR  57          1HB       TYR  57 -11.439   9.924   3.814
  425    HD1  TYR  57           1HD      TYR  57 -13.011   7.693   6.392
  426    HD2  TYR  57           2HD      TYR  57 -13.200  11.339   4.206
  427    HE1  TYR  57           1HE      TYR  57 -15.049   8.315   7.616
  428    HE2  TYR  57           2HE      TYR  57 -15.237  11.971   5.428
  429    HH   TYR  57           HH       TYR  57 -16.199  11.227   7.912
  Start of MODEL   20
    1   1H    GLY   1          1HT       GLY   1 -24.083   9.089   6.042
    2   2H    GLY   1          2HT       GLY   1 -25.446   9.422   6.987
    3   3H    GLY   1          3HT       GLY   1 -24.839   7.846   6.905
    4   1HA   GLY   1          1HA       GLY   1 -24.082   9.991   8.622
    5   2HA   GLY   1          2HA       GLY   1 -23.721   8.278   8.758
    6    H    SER   2           H        SER   2 -21.592   8.215   9.155
    7    HA   SER   2           HA       SER   2 -19.687  10.030   8.191
    8   1HB   SER   2          2HB       SER   2 -18.013   8.346   8.912
    9   2HB   SER   2          1HB       SER   2 -19.251   8.626  10.136
   10    HG   SER   2           HG       SER   2 -18.969   6.423   8.388
   11    H    GLN   3           H        GLN   3 -20.578   6.793   7.022
   12    HA   GLN   3           HA       GLN   3 -18.727   6.655   4.919
   13   1HB   GLN   3          2HB       GLN   3 -20.245   4.937   3.974
   14   2HB   GLN   3          1HB       GLN   3 -19.919   4.686   5.683
   15   1HG   GLN   3          2HG       GLN   3 -22.075   5.708   6.231
   16   2HG   GLN   3          1HG       GLN   3 -22.399   5.926   4.517
   17   1HE2  GLN   3          1HE2      GLN   3 -20.773   3.029   4.806
   18   2HE2  GLN   3          2HE2      GLN   3 -22.130   1.976   4.911
   19    H    VAL   4           H        VAL   4 -18.571   7.832   3.115
   20    HA   VAL   4           HA       VAL   4 -20.530   9.744   2.432
   21    HB   VAL   4           HB       VAL   4 -18.012   8.829   1.024
   22   1HG1  VAL   4          1HG1      VAL   4 -18.814   9.684  -0.893
   23   2HG1  VAL   4          2HG1      VAL   4 -18.742  11.260  -0.106
   24   3HG1  VAL   4          3HG1      VAL   4 -20.245  10.339  -0.100
   25   1HG2  VAL   4          1HG2      VAL   4 -18.882  11.130   2.729
   26   2HG2  VAL   4          2HG2      VAL   4 -17.571  11.346   1.572
   27   3HG2  VAL   4          3HG2      VAL   4 -17.435  10.133   2.844
   28    H    PHE   5           H        PHE   5 -19.359   7.854  -0.259
   29    HA   PHE   5           HA       PHE   5 -21.813   7.803  -1.544
   30   1HB   PHE   5          2HB       PHE   5 -19.279   7.441  -2.301
   31   2HB   PHE   5          1HB       PHE   5 -19.737   5.747  -2.152
   32    HD1  PHE   5           1HD      PHE   5 -21.648   8.698  -3.385
   33    HD2  PHE   5           2HD      PHE   5 -19.949   4.902  -4.287
   34    HE1  PHE   5           1HE      PHE   5 -22.668   8.777  -5.621
   35    HE2  PHE   5           2HE      PHE   5 -20.966   4.976  -6.527
   36    HZ   PHE   5           HZ       PHE   5 -22.312   6.901  -7.203
   37    H    GLU   6           H        GLU   6 -21.874   5.088  -2.457
   38    HA   GLU   6           HA       GLU   6 -23.598   3.874  -0.599
   39   1HB   GLU   6          2HB       GLU   6 -21.994   2.904  -2.945
   40   2HB   GLU   6          1HB       GLU   6 -23.043   1.816  -2.041
   41   1HG   GLU   6          2HG       GLU   6 -24.964   3.245  -2.586
   42   2HG   GLU   6          1HG       GLU   6 -23.897   4.303  -3.511
   43    H    TYR   7           H        TYR   7 -20.230   3.601  -1.387
   44    HA   TYR   7           HA       TYR   7 -18.404   2.834  -0.350
   45   1HB   TYR   7          2HB       TYR   7 -19.839   4.199   1.489
   46   2HB   TYR   7          1HB       TYR   7 -19.707   2.639   2.293
   47    HD1  TYR   7           1HD      TYR   7 -16.950   2.126   0.864
   48    HD2  TYR   7           2HD      TYR   7 -18.483   5.269   3.250
   49    HE1  TYR   7           1HE      TYR   7 -14.698   2.627   1.620
   50    HE2  TYR   7           2HE      TYR   7 -16.204   5.818   4.007
   51    HH   TYR   7           HH       TYR   7 -13.708   3.832   3.847
   52    H    ALA   8           H        ALA   8 -20.348   0.837  -1.386
   53    HA   ALA   8           HA       ALA   8 -19.570  -1.435   0.316
   54   1HB   ALA   8          1HB       ALA   8 -21.705  -2.091   0.373
   55   2HB   ALA   8          2HB       ALA   8 -21.738  -2.156  -1.389
   56   3HB   ALA   8          3HB       ALA   8 -22.170  -0.665  -0.553
   57    H    GLU   9           H        GLU   9 -17.845  -0.408  -1.510
   58    HA   GLU   9           HA       GLU   9 -17.882  -1.079  -4.093
   59   1HB   GLU   9          2HB       GLU   9 -15.314  -1.836  -2.993
   60   2HB   GLU   9          1HB       GLU   9 -15.738  -0.558  -4.105
   61   1HG   GLU   9          2HG       GLU   9 -15.898  -0.430  -1.144
   62   2HG   GLU   9          1HG       GLU   9 -14.614   0.197  -2.112
   63    H    VAL  10           H        VAL  10 -16.884  -3.231  -1.463
   64    HA   VAL  10           HA       VAL  10 -16.483  -5.482  -1.416
   65    HB   VAL  10           HB       VAL  10 -18.980  -5.009  -2.949
   66   1HG1  VAL  10          1HG1      VAL  10 -19.469  -7.522  -2.267
   67   2HG1  VAL  10          2HG1      VAL  10 -17.716  -7.662  -2.380
   68   3HG1  VAL  10          3HG1      VAL  10 -18.650  -7.152  -3.786
   69   1HG2  VAL  10          1HG2      VAL  10 -19.854  -4.766  -0.943
   70   2HG2  VAL  10          2HG2      VAL  10 -18.266  -5.053  -0.229
   71   3HG2  VAL  10          3HG2      VAL  10 -19.366  -6.403  -0.506
   72    H    ASP  11           H        ASP  11 -14.957  -4.096  -3.267
   73    HA   ASP  11           HA       ASP  11 -13.529  -5.789  -4.717
   74   1HB   ASP  11          2HB       ASP  11 -16.106  -5.383  -6.113
   75   2HB   ASP  11          1HB       ASP  11 -14.667  -5.276  -7.121
   76    H    GLU  12           H        GLU  12 -14.999  -2.679  -4.549
   77    HA   GLU  12           HA       GLU  12 -12.842  -1.501  -6.193
   78   1HB   GLU  12          2HB       GLU  12 -15.594  -1.370  -6.501
   79   2HB   GLU  12          1HB       GLU  12 -15.154   0.190  -5.824
   80   1HG   GLU  12          2HG       GLU  12 -13.977  -1.077  -8.276
   81   2HG   GLU  12          1HG       GLU  12 -15.161   0.231  -8.258
   82    H    ILE  13           H        ILE  13 -11.597  -1.391  -4.179
   83    HA   ILE  13           HA       ILE  13 -10.962  -0.503  -2.103
   84    HB   ILE  13           HB       ILE  13 -10.235   1.845  -2.537
   85   1HG1  ILE  13          2HG1      ILE  13 -11.602   1.335  -5.188
   86   2HG1  ILE  13          1HG1      ILE  13 -12.065   2.536  -3.992
   87   1HG2  ILE  13          1HG2      ILE  13  -8.873  -0.145  -3.132
   88   2HG2  ILE  13          2HG2      ILE  13  -8.566   1.233  -4.187
   89   3HG2  ILE  13          3HG2      ILE  13  -9.571  -0.102  -4.749
   90   1HD1  ILE  13          1HD1      ILE  13  -9.643   2.511  -5.739
   91   2HD1  ILE  13          2HD1      ILE  13  -9.827   3.591  -4.357
   92   3HD1  ILE  13          3HD1      ILE  13 -10.958   3.682  -5.703
   93    H    VAL  14           H        VAL  14 -11.755   0.042  -0.315
   94    HA   VAL  14           HA       VAL  14 -13.969   1.943  -0.150
   95    HB   VAL  14           HB       VAL  14 -13.593  -0.649   1.047
   96   1HG1  VAL  14          1HG1      VAL  14 -14.286  -0.181   3.365
   97   2HG1  VAL  14          2HG1      VAL  14 -14.118   1.543   3.068
   98   3HG1  VAL  14          3HG1      VAL  14 -12.702   0.506   3.027
   99   1HG2  VAL  14          1HG2      VAL  14 -15.981   0.693   1.875
  100   2HG2  VAL  14          2HG2      VAL  14 -15.776  -0.689   0.811
  101   3HG2  VAL  14          3HG2      VAL  14 -15.656   0.945   0.162
  102    H    GLU  15           H        GLU  15 -10.850   0.937   1.173
  103    HA   GLU  15           HA       GLU  15 -10.760   3.651   2.344
  104   1HB   GLU  15          2HB       GLU  15 -11.305   2.129   4.147
  105   2HB   GLU  15          1HB       GLU  15  -9.941   1.093   3.748
  106   1HG   GLU  15          2HG       GLU  15  -8.392   2.836   4.386
  107   2HG   GLU  15          1HG       GLU  15  -9.726   3.952   4.677
  108    H    LYS  16           H        LYS  16  -8.456   4.304   3.000
  109    HA   LYS  16           HA       LYS  16  -6.264   2.957   1.730
  110   1HB   LYS  16          2HB       LYS  16  -5.881   4.772   0.104
  111   2HB   LYS  16          1HB       LYS  16  -7.271   3.751  -0.229
  112   1HG   LYS  16          2HG       LYS  16  -8.291   5.824   1.303
  113   2HG   LYS  16          1HG       LYS  16  -7.134   6.605   0.223
  114   1HD   LYS  16          2HD       LYS  16  -9.337   6.563  -0.795
  115   2HD   LYS  16          1HD       LYS  16  -8.237   5.529  -1.699
  116   1HE   LYS  16          2HE       LYS  16  -9.148   3.572  -0.492
  117   2HE   LYS  16          1HE       LYS  16 -10.292   4.636   0.317
  118   1HZ   LYS  16          1HZ       LYS  16 -10.206   3.787  -2.490
  119   2HZ   LYS  16          2HZ       LYS  16 -10.923   5.266  -2.103
  120   3HZ   LYS  16          3HZ       LYS  16 -11.518   3.834  -1.427
  121    H    ARG  17           H        ARG  17  -4.351   4.734   1.353
  122    HA   ARG  17           HA       ARG  17  -4.406   6.855   3.311
  123   1HB   ARG  17          2HB       ARG  17  -2.460   6.011   4.586
  124   2HB   ARG  17          1HB       ARG  17  -3.863   4.973   4.753
  125   1HG   ARG  17          2HG       ARG  17  -2.909   3.459   3.052
  126   2HG   ARG  17          1HG       ARG  17  -1.463   4.471   3.010
  127   1HD   ARG  17          2HD       ARG  17  -0.983   3.993   5.307
  128   2HD   ARG  17          1HD       ARG  17  -2.526   3.163   5.507
  129    HE   ARG  17           HE       ARG  17  -1.070   1.892   3.473
  130   1HH1  ARG  17          1HH1      ARG  17  -0.975   2.387   6.920
  131   2HH1  ARG  17          2HH1      ARG  17  -0.178   0.884   7.245
  132   1HH2  ARG  17          1HH2      ARG  17  -0.026  -0.096   3.893
  133   2HH2  ARG  17          2HH2      ARG  17   0.362  -0.527   5.525
  134    H    GLY  18           H        GLY  18  -1.296   6.646   3.247
  135   1HA   GLY  18          2HA       GLY  18  -0.405   6.738   0.668
  136   2HA   GLY  18          1HA       GLY  18  -1.054   8.325   0.973
  137    H    LYS  19           H        LYS  19   0.833   6.136   3.030
  138    HA   LYS  19           HA       LYS  19   2.426   8.196   4.095
  139   1HB   LYS  19          2HB       LYS  19   3.100   5.254   3.876
  140   2HB   LYS  19          1HB       LYS  19   3.915   6.415   4.907
  141   1HG   LYS  19          2HG       LYS  19   1.028   5.593   5.126
  142   2HG   LYS  19          1HG       LYS  19   2.346   5.057   6.170
  143   1HD   LYS  19          2HD       LYS  19   2.726   7.420   6.822
  144   2HD   LYS  19          1HD       LYS  19   1.321   7.878   5.860
  145   1HE   LYS  19          2HE       LYS  19   0.730   7.675   8.212
  146   2HE   LYS  19          1HE       LYS  19  -0.094   6.448   7.251
  147   1HZ   LYS  19          1HZ       LYS  19   1.521   4.823   7.962
  148   2HZ   LYS  19          2HZ       LYS  19   0.818   5.551   9.318
  149   3HZ   LYS  19          3HZ       LYS  19   2.377   5.994   8.833
  150    H    GLY  20           H        GLY  20   4.742   8.558   3.747
  151   1HA   GLY  20          2HA       GLY  20   5.402   9.243   1.184
  152   2HA   GLY  20          1HA       GLY  20   6.596   8.884   2.419
  153    H    LYS  21           H        LYS  21   6.146   6.146   2.763
  154    HA   LYS  21           HA       LYS  21   6.666   5.034   0.093
  155   1HB   LYS  21          2HB       LYS  21   8.317   4.509   2.568
  156   2HB   LYS  21          1HB       LYS  21   8.515   3.694   1.024
  157   1HG   LYS  21          2HG       LYS  21   9.106   5.813  -0.029
  158   2HG   LYS  21          1HG       LYS  21   8.895   6.641   1.515
  159   1HD   LYS  21          2HD       LYS  21  10.681   5.273   2.487
  160   2HD   LYS  21          1HD       LYS  21  10.893   4.453   0.939
  161   1HE   LYS  21          2HE       LYS  21  11.504   6.578  -0.104
  162   2HE   LYS  21          1HE       LYS  21  11.280   7.403   1.438
  163   1HZ   LYS  21          1HZ       LYS  21  13.096   6.206   2.371
  164   2HZ   LYS  21          2HZ       LYS  21  13.624   6.852   0.899
  165   3HZ   LYS  21          3HZ       LYS  21  13.232   5.209   1.010
  166    H    ASP  22           H        ASP  22   4.195   4.711   1.205
  167    HA   ASP  22           HA       ASP  22   3.784   1.996   1.168
  168   1HB   ASP  22          2HB       ASP  22   4.975   1.828   3.288
  169   2HB   ASP  22          1HB       ASP  22   3.953   3.075   3.996
  170    H    VAL  23           H        VAL  23   1.912   1.960   0.382
  171    HA   VAL  23           HA       VAL  23  -0.382   3.237   1.667
  172    HB   VAL  23           HB       VAL  23  -0.172   3.587  -1.257
  173   1HG1  VAL  23          1HG1      VAL  23  -1.459   5.712  -0.514
  174   2HG1  VAL  23          2HG1      VAL  23  -1.640   4.818   0.994
  175   3HG1  VAL  23          3HG1      VAL  23  -2.251   4.143  -0.506
  176   1HG2  VAL  23          1HG2      VAL  23   1.924   4.560  -0.605
  177   2HG2  VAL  23          2HG2      VAL  23   1.150   5.439   0.714
  178   3HG2  VAL  23          3HG2      VAL  23   0.793   5.866  -0.959
  179    H    GLU  24           H        GLU  24  -2.383   2.570   0.541
  180    HA   GLU  24           HA       GLU  24  -2.438   0.545  -1.351
  181   1HB   GLU  24          2HB       GLU  24  -3.348  -1.198   0.556
  182   2HB   GLU  24          1HB       GLU  24  -1.744  -1.231  -0.140
  183   1HG   GLU  24          2HG       GLU  24  -0.806  -0.105   1.711
  184   2HG   GLU  24          1HG       GLU  24  -2.389   0.300   2.353
  185    H    TYR  25           H        TYR  25  -4.424  -0.218  -1.873
  186    HA   TYR  25           HA       TYR  25  -6.717   1.084  -0.589
  187   1HB   TYR  25          2HB       TYR  25  -6.277   0.994  -3.600
  188   2HB   TYR  25          1HB       TYR  25  -7.512   1.891  -2.701
  189    HD1  TYR  25           1HD      TYR  25  -3.831   1.558  -2.979
  190    HD2  TYR  25           2HD      TYR  25  -7.118   4.054  -2.133
  191    HE1  TYR  25           1HE      TYR  25  -2.297   3.425  -2.660
  192    HE2  TYR  25           2HE      TYR  25  -5.598   5.927  -1.799
  193    HH   TYR  25           HH       TYR  25  -2.400   5.936  -2.788
  194    H    LEU  26           H        LEU  26  -8.016  -0.465   0.066
  195    HA   LEU  26           HA       LEU  26  -9.362  -2.261  -1.502
  196   1HB   LEU  26          2HB       LEU  26  -6.660  -3.060  -0.959
  197   2HB   LEU  26          1HB       LEU  26  -7.811  -4.286  -0.474
  198    HG   LEU  26           HG       LEU  26  -8.062  -3.152  -3.208
  199   1HD1  LEU  26          1HD1      LEU  26  -5.620  -3.561  -2.838
  200   2HD1  LEU  26          2HD1      LEU  26  -6.346  -4.554  -4.102
  201   3HD1  LEU  26          3HD1      LEU  26  -6.013  -5.249  -2.516
  202   1HD2  LEU  26          1HD2      LEU  26  -8.176  -6.015  -2.320
  203   2HD2  LEU  26          2HD2      LEU  26  -8.949  -5.257  -3.711
  204   3HD2  LEU  26          3HD2      LEU  26  -9.543  -4.929  -2.084
  205    H    VAL  27           H        VAL  27 -10.716  -1.238   0.403
  206    HA   VAL  27           HA       VAL  27 -10.609  -3.212   2.533
  207    HB   VAL  27           HB       VAL  27 -10.999  -0.263   2.881
  208   1HG1  VAL  27          1HG1      VAL  27 -11.204  -1.008   5.399
  209   2HG1  VAL  27          2HG1      VAL  27 -11.861  -2.474   4.679
  210   3HG1  VAL  27          3HG1      VAL  27 -12.633  -0.921   4.370
  211   1HG2  VAL  27          1HG2      VAL  27  -8.732  -0.787   2.993
  212   2HG2  VAL  27          2HG2      VAL  27  -9.033  -2.238   3.952
  213   3HG2  VAL  27          3HG2      VAL  27  -9.259  -0.644   4.669
  214    H    ARG  28           H        ARG  28 -12.094  -3.509   0.301
  215    HA   ARG  28           HA       ARG  28 -14.844  -3.012   1.198
  216   1HB   ARG  28          2HB       ARG  28 -14.995  -3.121  -1.527
  217   2HB   ARG  28          1HB       ARG  28 -14.930  -1.686  -0.546
  218   1HG   ARG  28          2HG       ARG  28 -13.431  -1.506  -2.381
  219   2HG   ARG  28          1HG       ARG  28 -12.508  -1.546  -0.906
  220   1HD   ARG  28          2HD       ARG  28 -11.891  -3.852  -1.312
  221   2HD   ARG  28          1HD       ARG  28 -12.955  -3.918  -2.682
  222    HE   ARG  28           HE       ARG  28 -10.701  -2.102  -2.751
  223   1HH1  ARG  28          1HH1      ARG  28 -12.018  -5.137  -3.781
  224   2HH1  ARG  28          2HH1      ARG  28 -10.946  -5.296  -5.119
  225   1HH2  ARG  28          1HH2      ARG  28  -9.289  -2.293  -4.511
  226   2HH2  ARG  28          2HH2      ARG  28  -9.395  -3.687  -5.535
  227    H    TRP  29           H        TRP  29 -13.104  -4.999  -1.040
  228    HA   TRP  29           HA       TRP  29 -14.931  -6.663  -1.896
  229   1HB   TRP  29          2HB       TRP  29 -13.072  -8.197  -2.461
  230   2HB   TRP  29          1HB       TRP  29 -12.855  -6.533  -2.955
  231    HD1  TRP  29           HD       TRP  29 -10.395  -8.324  -2.942
  232    HE1  TRP  29           1HE      TRP  29  -8.412  -7.998  -1.343
  233    HE3  TRP  29           3HE      TRP  29 -12.660  -5.549   0.760
  234    HZ2  TRP  29           2HZ      TRP  29  -7.843  -6.755   1.113
  235    HZ3  TRP  29           3HZ      TRP  29 -11.348  -4.886   2.678
  236    HH2  TRP  29           HH       TRP  29  -8.998  -5.451   2.850
  237    H    LYS  30           H        LYS  30 -12.661  -8.184   0.227
  238    HA   LYS  30           HA       LYS  30 -14.683 -10.044   1.043
  239   1HB   LYS  30          2HB       LYS  30 -12.530 -10.919   0.353
  240   2HB   LYS  30          1HB       LYS  30 -11.715  -9.968   1.584
  241   1HG   LYS  30          2HG       LYS  30 -11.770 -11.971   2.643
  242   2HG   LYS  30          1HG       LYS  30 -13.318 -11.328   3.188
  243   1HD   LYS  30          2HD       LYS  30 -12.926 -13.179   0.837
  244   2HD   LYS  30          1HD       LYS  30 -13.474 -13.671   2.438
  245   1HE   LYS  30          2HE       LYS  30 -14.891 -11.841   0.507
  246   2HE   LYS  30          1HE       LYS  30 -15.373 -13.463   0.986
  247   1HZ   LYS  30          1HZ       LYS  30 -15.799 -10.962   2.336
  248   2HZ   LYS  30          2HZ       LYS  30 -15.189 -12.168   3.352
  249   3HZ   LYS  30          3HZ       LYS  30 -16.623 -12.432   2.495
  250    H    ASP  31           H        ASP  31 -12.389  -7.896   2.645
  251    HA   ASP  31           HA       ASP  31 -12.529  -8.222   5.214
  252   1HB   ASP  31          2HB       ASP  31 -12.434  -5.861   5.609
  253   2HB   ASP  31          1HB       ASP  31 -11.623  -6.203   4.082
  254    H    GLY  32           H        GLY  32 -13.754  -7.979   6.984
  255   1HA   GLY  32          2HA       GLY  32 -16.416  -6.913   6.958
  256   2HA   GLY  32          1HA       GLY  32 -16.388  -8.673   7.067
  257    H    GLY  33           H        GLY  33 -14.421  -9.330   8.624
  258   1HA   GLY  33          2HA       GLY  33 -15.129  -8.153  11.206
  259   2HA   GLY  33          1HA       GLY  33 -14.254  -9.665  10.953
  260    H    ASP  34           H        ASP  34 -12.430  -8.610   9.027
  261    HA   ASP  34           HA       ASP  34 -10.862  -6.659  10.561
  262   1HB   ASP  34          2HB       ASP  34 -10.109  -9.009  11.076
  263   2HB   ASP  34          1HB       ASP  34  -9.686  -9.170   9.368
  264    H    CYS  35           H        CYS  35  -9.319  -5.495   9.325
  265    HA   CYS  35           HA       CYS  35 -10.110  -5.047   6.599
  266   1HB   CYS  35          2HB       CYS  35  -7.822  -3.874   8.191
  267   2HB   CYS  35          1HB       CYS  35  -8.403  -3.280   6.642
  268    HG   CYS  35           HG       CYS  35  -9.261  -1.513   8.612
  269    H    GLU  36           H        GLU  36  -8.869  -5.395   4.724
  270    HA   GLU  36           HA       GLU  36  -6.446  -7.017   5.016
  271   1HB   GLU  36          2HB       GLU  36  -7.914  -7.903   2.723
  272   2HB   GLU  36          1HB       GLU  36  -7.324  -8.848   4.084
  273   1HG   GLU  36          2HG       GLU  36  -9.419  -8.069   5.303
  274   2HG   GLU  36          1HG       GLU  36  -9.978  -7.504   3.726
  275    H    TRP  37           H        TRP  37  -7.386  -4.222   3.849
  276    HA   TRP  37           HA       TRP  37  -6.791  -4.232   1.117
  277   1HB   TRP  37          2HB       TRP  37  -6.731  -1.964   1.190
  278   2HB   TRP  37          1HB       TRP  37  -7.709  -2.349   2.572
  279    HD1  TRP  37           HD       TRP  37  -4.761  -0.406   1.552
  280    HE1  TRP  37           1HE      TRP  37  -3.656   0.684   3.624
  281    HE3  TRP  37           3HE      TRP  37  -7.142  -2.982   5.247
  282    HZ2  TRP  37           2HZ      TRP  37  -3.772   0.430   6.417
  283    HZ3  TRP  37           3HZ      TRP  37  -6.592  -2.517   7.584
  284    HH2  TRP  37           HH       TRP  37  -4.931  -0.834   8.160
  285    H    VAL  38           H        VAL  38  -4.955  -4.350  -0.040
  286    HA   VAL  38           HA       VAL  38  -2.451  -3.947   1.357
  287    HB   VAL  38           HB       VAL  38  -2.703  -6.361  -0.372
  288   1HG1  VAL  38          1HG1      VAL  38  -0.707  -7.080   0.744
  289   2HG1  VAL  38          2HG1      VAL  38  -0.797  -5.724   1.868
  290   3HG1  VAL  38          3HG1      VAL  38  -0.467  -5.432   0.160
  291   1HG2  VAL  38          1HG2      VAL  38  -3.563  -6.019   2.451
  292   2HG2  VAL  38          2HG2      VAL  38  -2.715  -7.504   2.025
  293   3HG2  VAL  38          3HG2      VAL  38  -4.210  -7.073   1.193
  294    H    LYS  39           H        LYS  39  -0.682  -3.464   0.030
  295    HA   LYS  39           HA       LYS  39   0.375  -2.458  -1.719
  296   1HB   LYS  39          2HB       LYS  39  -1.518  -4.191  -3.314
  297   2HB   LYS  39          1HB       LYS  39  -0.100  -3.391  -3.965
  298   1HG   LYS  39          2HG       LYS  39   1.321  -4.734  -2.488
  299   2HG   LYS  39          1HG       LYS  39  -0.114  -5.549  -1.865
  300   1HD   LYS  39          2HD       LYS  39   0.732  -5.555  -4.762
  301   2HD   LYS  39          1HD       LYS  39   1.105  -6.839  -3.613
  302   1HE   LYS  39          2HE       LYS  39  -0.792  -7.569  -4.811
  303   2HE   LYS  39          1HE       LYS  39  -1.387  -7.049  -3.237
  304   1HZ   LYS  39          1HZ       LYS  39  -1.409  -4.912  -5.118
  305   2HZ   LYS  39          2HZ       LYS  39  -2.679  -5.538  -4.192
  306   3HZ   LYS  39          3HZ       LYS  39  -2.300  -6.230  -5.690
  307    H    GLY  40           H        GLY  40   0.304  -0.634  -2.826
  308   1HA   GLY  40          2HA       GLY  40  -2.361   0.451  -3.463
  309   2HA   GLY  40          1HA       GLY  40  -1.066   1.451  -2.803
  310    H    VAL  41           H        VAL  41   1.104   0.905  -4.177
  311    HA   VAL  41           HA       VAL  41   0.873   2.228  -6.597
  312    HB   VAL  41           HB       VAL  41   3.040   1.839  -5.497
  313   1HG1  VAL  41          1HG1      VAL  41   2.703  -0.452  -4.771
  314   2HG1  VAL  41          2HG1      VAL  41   4.169  -0.329  -5.742
  315   3HG1  VAL  41          3HG1      VAL  41   2.700  -1.003  -6.445
  316   1HG2  VAL  41          1HG2      VAL  41   4.250   1.907  -7.431
  317   2HG2  VAL  41          2HG2      VAL  41   2.634   2.141  -8.096
  318   3HG2  VAL  41          3HG2      VAL  41   3.386   0.548  -8.149
  319    H    HIS  42           H        HIS  42   0.605  -1.165  -5.841
  320    HA   HIS  42           HA       HIS  42   0.294  -2.012  -8.571
  321   1HB   HIS  42          2HB       HIS  42  -0.405  -3.538  -6.055
  322   2HB   HIS  42          1HB       HIS  42  -0.067  -4.206  -7.649
  323    HD1  HIS  42           1HD      HIS  42   2.539  -3.447  -8.478
  324    HD2  HIS  42           2HD      HIS  42   1.721  -3.794  -4.415
  325    HE1  HIS  42           1HE      HIS  42   4.774  -3.723  -7.362
  326    HE2  HIS  42           2HE      HIS  42   4.261  -3.860  -4.900
  327    H    VAL  43           H        VAL  43  -1.756  -1.434  -5.763
  328    HA   VAL  43           HA       VAL  43  -4.171  -2.002  -7.275
  329    HB   VAL  43           HB       VAL  43  -3.904  -1.103  -4.383
  330   1HG1  VAL  43          1HG1      VAL  43  -6.180  -1.620  -6.152
  331   2HG1  VAL  43          2HG1      VAL  43  -6.104  -0.753  -4.619
  332   3HG1  VAL  43          3HG1      VAL  43  -6.237  -2.511  -4.630
  333   1HG2  VAL  43          1HG2      VAL  43  -4.695  -3.864  -4.960
  334   2HG2  VAL  43          2HG2      VAL  43  -3.561  -3.225  -3.773
  335   3HG2  VAL  43          3HG2      VAL  43  -3.041  -3.475  -5.436
  336    H    ALA  44           H        ALA  44  -2.748   0.208  -8.300
  337    HA   ALA  44           HA       ALA  44  -3.062   2.382  -8.950
  338   1HB   ALA  44          1HB       ALA  44  -5.163   2.760  -9.627
  339   2HB   ALA  44          2HB       ALA  44  -5.811   2.605  -7.993
  340   3HB   ALA  44          3HB       ALA  44  -5.518   1.165  -8.967
  341    H    GLU  45           H        GLU  45  -1.596   2.792  -7.095
  342    HA   GLU  45           HA       GLU  45  -2.459   3.496  -4.577
  343   1HB   GLU  45          2HB       GLU  45  -0.089   3.147  -5.211
  344   2HB   GLU  45          1HB       GLU  45  -0.098   4.710  -6.005
  345   1HG   GLU  45          2HG       GLU  45  -0.675   5.737  -3.815
  346   2HG   GLU  45          1HG       GLU  45  -0.473   4.154  -3.077
  347    H    ASP  46           H        ASP  46  -1.521   5.816  -7.120
  348    HA   ASP  46           HA       ASP  46  -2.825   7.957  -5.675
  349   1HB   ASP  46          2HB       ASP  46  -1.377   7.963  -8.330
  350   2HB   ASP  46          1HB       ASP  46  -1.953   9.397  -7.486
  351    H    VAL  47           H        VAL  47  -4.397   5.713  -7.010
  352    HA   VAL  47           HA       VAL  47  -6.121   7.426  -8.682
  353    HB   VAL  47           HB       VAL  47  -5.925   4.416  -8.700
  354   1HG1  VAL  47          1HG1      VAL  47  -7.051   5.254 -11.078
  355   2HG1  VAL  47          2HG1      VAL  47  -7.775   6.322  -9.876
  356   3HG1  VAL  47          3HG1      VAL  47  -7.914   4.573  -9.698
  357   1HG2  VAL  47          1HG2      VAL  47  -3.881   5.182  -9.603
  358   2HG2  VAL  47          2HG2      VAL  47  -4.672   6.481 -10.495
  359   3HG2  VAL  47          3HG2      VAL  47  -4.899   4.806 -10.992
  360    H    ALA  48           H        ALA  48  -5.962   4.903  -6.251
  361    HA   ALA  48           HA       ALA  48  -8.783   4.868  -5.777
  362   1HB   ALA  48          1HB       ALA  48  -7.802   2.828  -5.422
  363   2HB   ALA  48          2HB       ALA  48  -7.927   3.445  -3.775
  364   3HB   ALA  48          3HB       ALA  48  -6.393   3.527  -4.640
  365    H    LYS  49           H        LYS  49  -5.996   6.422  -4.234
  366    HA   LYS  49           HA       LYS  49  -7.117   7.116  -1.797
  367   1HB   LYS  49          2HB       LYS  49  -4.842   7.600  -1.990
  368   2HB   LYS  49          1HB       LYS  49  -5.045   8.418  -3.518
  369   1HG   LYS  49          2HG       LYS  49  -6.085  10.311  -2.361
  370   2HG   LYS  49          1HG       LYS  49  -5.885   9.468  -0.823
  371   1HD   LYS  49          2HD       LYS  49  -3.599  10.180  -2.655
  372   2HD   LYS  49          1HD       LYS  49  -4.136  11.196  -1.316
  373   1HE   LYS  49          2HE       LYS  49  -3.192   8.342  -1.070
  374   2HE   LYS  49          1HE       LYS  49  -2.220   9.769  -0.715
  375   1HZ   LYS  49          1HZ       LYS  49  -4.325   8.532   0.841
  376   2HZ   LYS  49          2HZ       LYS  49  -4.386  10.222   0.783
  377   3HZ   LYS  49          3HZ       LYS  49  -2.994   9.446   1.350
  378    H    ASP  50           H        ASP  50  -6.994   9.271  -4.612
  379    HA   ASP  50           HA       ASP  50  -8.619  11.226  -3.557
  380   1HB   ASP  50          2HB       ASP  50  -8.262  10.441  -6.428
  381   2HB   ASP  50          1HB       ASP  50  -9.039  11.929  -5.911
  382    H    TYR  51           H        TYR  51  -9.568   8.256  -5.145
  383    HA   TYR  51           HA       TYR  51 -12.203   8.763  -5.717
  384   1HB   TYR  51          2HB       TYR  51 -11.217   6.643  -6.259
  385   2HB   TYR  51          1HB       TYR  51 -10.985   6.312  -4.553
  386    HD1  TYR  51           1HD      TYR  51 -13.158   5.829  -7.330
  387    HD2  TYR  51           2HD      TYR  51 -13.118   6.182  -3.106
  388    HE1  TYR  51           1HE      TYR  51 -15.353   4.719  -7.210
  389    HE2  TYR  51           2HE      TYR  51 -15.291   5.080  -2.949
  390    HH   TYR  51           HH       TYR  51 -17.382   4.860  -5.094
  391    H    GLU  52           H        GLU  52 -10.995   7.406  -2.657
  392    HA   GLU  52           HA       GLU  52 -13.506   8.124  -1.402
  393   1HB   GLU  52          2HB       GLU  52 -11.263   6.370  -0.560
  394   2HB   GLU  52          1HB       GLU  52 -12.405   6.943   0.625
  395   1HG   GLU  52          2HG       GLU  52 -12.925   5.115  -1.701
  396   2HG   GLU  52          1HG       GLU  52 -13.006   4.754   0.001
  397    H    ASP  53           H        ASP  53 -10.173   8.224  -0.275
  398    HA   ASP  53           HA       ASP  53  -9.480   9.501   1.594
  399   1HB   ASP  53          2HB       ASP  53  -8.166   9.893  -0.378
  400   2HB   ASP  53          1HB       ASP  53  -9.288  11.142  -0.925
  401    H    GLY  54           H        GLY  54 -11.255  11.912  -0.385
  402   1HA   GLY  54          2HA       GLY  54 -11.710  13.666   1.722
  403   2HA   GLY  54          1HA       GLY  54 -12.679  13.604   0.260
  404    H    LEU  55           H        LEU  55 -13.438  10.730   1.005
  405    HA   LEU  55           HA       LEU  55 -15.818  11.361   2.338
  406   1HB   LEU  55          2HB       LEU  55 -16.048   8.868   2.550
  407   2HB   LEU  55          1HB       LEU  55 -15.817   9.479   0.930
  408    HG   LEU  55           HG       LEU  55 -13.896   8.347   0.638
  409   1HD1  LEU  55          1HD1      LEU  55 -13.036   8.137   3.479
  410   2HD1  LEU  55          2HD1      LEU  55 -12.803   9.666   2.651
  411   3HD1  LEU  55          3HD1      LEU  55 -12.062   8.212   2.018
  412   1HD2  LEU  55          1HD2      LEU  55 -15.635   6.775   1.515
  413   2HD2  LEU  55          2HD2      LEU  55 -14.749   6.794   3.040
  414   3HD2  LEU  55          3HD2      LEU  55 -13.968   6.204   1.573
  415    H    GLU  56           H        GLU  56 -14.823   8.669   3.994
  416    HA   GLU  56           HA       GLU  56 -14.746  10.007   6.496
  417   1HB   GLU  56          2HB       GLU  56 -14.398   7.136   5.642
  418   2HB   GLU  56          1HB       GLU  56 -14.299   7.644   7.329
  419   1HG   GLU  56          2HG       GLU  56 -16.589   8.476   7.213
  420   2HG   GLU  56          1HG       GLU  56 -16.680   7.998   5.519
  421    H    TYR  57           H        TYR  57 -12.709  11.193   5.304
  422    HA   TYR  57           HA       TYR  57 -10.221  10.061   5.118
  423   1HB   TYR  57          2HB       TYR  57 -10.705  12.383   4.490
  424   2HB   TYR  57          1HB       TYR  57 -10.887  12.815   6.188
  425    HD1  TYR  57           1HD      TYR  57  -8.299  10.723   4.500
  426    HD2  TYR  57           2HD      TYR  57  -9.152  14.285   6.662
  427    HE1  TYR  57           1HE      TYR  57  -5.893  11.215   4.626
  428    HE2  TYR  57           2HE      TYR  57  -6.749  14.790   6.794
  429    HH   TYR  57           HH       TYR  57  -4.454  12.880   6.561