*HEADER    CYTOKINE                                19-DEC-07   2JYV              
*TITLE     HUMAN GRANULIN F                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GRANULIN-2;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: GRANULIN F;                                                 
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: GRN;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: ORIGAMI(DE3);                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-32                                    
*KEYWDS    GRANULIN C, EPITHELIN, HUMAN, STACK OF HAIRPINS,                      
*KEYWDS   2 ALTERNATIVE SPLICING, CYTOKINE, GLYCOPROTEIN, POLYMORPHISM,          
*KEYWDS   3 SECRETED                                                             
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    D.TOLKATCHEV, P.WANG, Z.CHEN, P.XU, F.NI                              
*REVDAT   1   22-APR-08 2JYV    0                                                


 ASSI {    7}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.200     1.300     1.300 peak     7 spectrum    1 weight  0.10000E+01 volume  0.96445E-03 ppm1      9.225 ppm2      5.483 CV     1
 ASSI {   10}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 19   and name HA  ))
      4.000     2.000     2.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.45663E-03 ppm1      7.343 ppm2      3.621 CV     1
 ASSI {   24}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 18   and name HB1 ))
      3.100     1.200     1.200 peak    24 spectrum    1 weight  0.92308E+00 volume  0.20233E-02 ppm1      2.778 ppm2      3.250 CV     1
 ASSI {   25}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.000     1.100     1.100 peak    25 spectrum    1 weight  0.10000E+01 volume  0.13708E-02 ppm1      9.225 ppm2      9.059 CV     1
 ASSI {   26}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.17697E-02 ppm1      9.541 ppm2      8.881 CV     1
 ASSI {   32}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.200     0.600     0.600 peak    32 spectrum    1 weight  0.10000E+01 volume  0.58800E-02 ppm1      9.225 ppm2      5.225 CV     1
 ASSI {   33}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      4.500     2.600     1.500 peak    33 spectrum    1 weight  0.10000E+01 volume  0.40201E-03 ppm1      9.541 ppm2      5.223 CV     1
 ASSI {   53}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.600     1.600     1.600 peak    53 spectrum    1 weight  0.92308E+00 volume  0.15607E-02 ppm1      7.444 ppm2      0.880 CV     1
 ASSI {   54}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG1%)
      3.800     1.800     1.800 peak    54 spectrum    1 weight  0.92308E+00 volume  0.14622E-02 ppm1      7.443 ppm2      0.831 CV     1
 ASSI {   56}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.400     1.500     1.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.10335E-02 ppm1      7.443 ppm2      3.673 CV     1
 ASSI {   57}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      4.900     2.900     1.100 peak    57 spectrum    1 weight  0.10000E+01 volume  0.56519E-03 ppm1      8.373 ppm2      2.464 CV     1
 ASSI {   58}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.200     0.600     0.600 peak    58 spectrum    1 weight  0.92308E+00 volume  0.59307E-02 ppm1      9.541 ppm2      5.485 CV     1
 ASSI {   59}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      2.100     0.600     0.600 peak    59 spectrum    1 weight  0.86391E+00 volume  0.12139E-01 ppm1      8.398 ppm2      4.271 CV     1
 ASSI {   60}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      2.700     0.900     0.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.47730E-02 ppm1      8.398 ppm2      3.811 CV     1
 ASSI {   61}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.200     2.200     1.800 peak    61 spectrum    1 weight  0.10000E+01 volume  0.46121E-03 ppm1      9.538 ppm2      2.665 CV     1
 ASSI {   62}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.400     2.400     1.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.10171E-02 ppm1      9.053 ppm2      2.992 CV     1
 ASSI {   63}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.400     1.500     1.500 peak    63 spectrum    1 weight  0.10000E+01 volume  0.81003E-03 ppm1      9.053 ppm2      2.682 CV     1
 ASSI {   64}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak    64 spectrum    1 weight  0.10000E+01 volume  0.18377E-02 ppm1      8.192 ppm2      3.677 CV     1
 ASSI {   65}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.000     1.100     1.100 peak    65 spectrum    1 weight  0.10000E+01 volume  0.27045E-02 ppm1      8.190 ppm2      3.815 CV     1
 ASSI {   66}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.200     0.600     0.600 peak    66 spectrum    1 weight  0.86391E+00 volume  0.89672E-02 ppm1      8.191 ppm2      4.169 CV     1
 ASSI {   67}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      4.200     2.200     1.800 peak    67 spectrum    1 weight  0.10000E+01 volume  0.16238E-02 ppm1      8.815 ppm2      0.462 CV     1
 ASSI {   68}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      4.000     2.000     2.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.59769E-03 ppm1      8.817 ppm2     -0.017 CV     1
 ASSI {   69}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      4.500     2.600     1.500 peak    69 spectrum    1 weight  0.10000E+01 volume  0.31942E-03 ppm1      8.817 ppm2      1.316 CV     1
 ASSI {   70}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.100     0.600     0.600 peak    70 spectrum    1 weight  0.92308E+00 volume  0.65692E-02 ppm1      8.814 ppm2      3.622 CV     1
 ASSI {   71}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      2.800     1.000     1.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.28747E-02 ppm1      7.443 ppm2      1.978 CV     1
 ASSI {   72}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
      4.900     3.000     1.100 peak    72 spectrum    1 weight  0.10000E+01 volume  0.79980E-03 ppm1      7.446 ppm2      2.199 CV     1
 ASSI {   73}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      4.900     3.000     1.100 peak    73 spectrum    1 weight  0.10000E+01 volume  0.90625E-03 ppm1      7.441 ppm2      2.457 CV     1
 ASSI {   77}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.300     0.600     0.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.53488E-02 ppm1      9.053 ppm2      4.812 CV     1
 ASSI {   78}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.900     1.000     1.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.28653E-02 ppm1      7.442 ppm2      2.032 CV     1
 ASSI {   79}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.200     1.300     1.300 peak    79 spectrum    1 weight  0.10000E+01 volume  0.21907E-02 ppm1      8.297 ppm2      3.016 CV     1
 ASSI {   80}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.900     1.900     1.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.12613E-02 ppm1      8.297 ppm2      3.252 CV     1
 ASSI {   81}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak    81 spectrum    1 weight  0.10000E+01 volume  0.50835E-02 ppm1      8.297 ppm2      5.050 CV     1
 ASSI {   82}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      5.700     4.100     0.300 peak    82 spectrum    1 weight  0.92308E+00 volume  0.17768E-03 ppm1      9.225 ppm2      2.915 CV     1
 ASSI {   83}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
      4.000     2.000     2.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.66018E-03 ppm1      8.433 ppm2      1.058 CV     1
 ASSI {   84}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
      4.100     2.100     1.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.14069E-02 ppm1      8.435 ppm2      3.952 CV     1
 ASSI {   85}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.500     0.800     0.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.56692E-02 ppm1      8.434 ppm2      4.619 CV     1
 ASSI {   89}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.300     0.600     0.600 peak    89 spectrum    1 weight  0.92308E+00 volume  0.41893E-02 ppm1      8.878 ppm2      5.022 CV     1
 ASSI {   90}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.500     1.500     1.500 peak    90 spectrum    1 weight  0.10000E+01 volume  0.74919E-03 ppm1      9.053 ppm2      3.617 CV     1
 ASSI {   91}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.900     1.900     1.900 peak    91 spectrum    1 weight  0.10000E+01 volume  0.52716E-03 ppm1      8.816 ppm2      4.815 CV     1
 ASSI {   96}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.200     0.600     0.600 peak    96 spectrum    1 weight  0.92308E+00 volume  0.40572E-02 ppm1      3.460 ppm2      5.071 CV     1
 ASSI {  110}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      4.000     2.000     2.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.10562E-02 ppm1      8.589 ppm2      1.549 CV     1
 ASSI {  111}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.900     1.000     1.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.17001E-02 ppm1      8.590 ppm2      1.650 CV     1
 ASSI {  112}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG1 ))
      4.600     2.700     1.400 peak   112 spectrum    1 weight  0.92308E+00 volume  0.63015E-03 ppm1      8.591 ppm2      1.864 CV     1
 ASSI {  113}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG2 ))
      5.400     3.600     0.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.38180E-03 ppm1      8.601 ppm2      1.895 CV     1
 ASSI {  114}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak   114 spectrum    1 weight  0.86391E+00 volume  0.78515E-02 ppm1      8.590 ppm2      4.555 CV     1
 ASSI {  116}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.900     1.100     1.100 peak   116 spectrum    1 weight  0.10000E+01 volume  0.12436E-02 ppm1      7.876 ppm2      2.797 CV     1
 ASSI {  117}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.400     0.700     0.700 peak   117 spectrum    1 weight  0.92308E+00 volume  0.50724E-02 ppm1      7.872 ppm2      4.402 CV     1
 ASSI {  123}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      4.600     2.600     1.400 peak   123 spectrum    1 weight  0.10000E+01 volume  0.30489E-03 ppm1      7.774 ppm2      1.701 CV     1
 ASSI {  124}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.800     2.900     1.200 peak   124 spectrum    1 weight  0.10000E+01 volume  0.22613E-03 ppm1      7.772 ppm2      1.969 CV     1
 ASSI {  125}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
      5.900     4.300     0.100 peak   125 spectrum    1 weight  0.10000E+01 volume  0.18690E-03 ppm1      7.766 ppm2      2.095 CV     1
 ASSI {  126}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.200     1.300     1.300 peak   126 spectrum    1 weight  0.92308E+00 volume  0.18710E-02 ppm1      7.769 ppm2      4.204 CV     1
 ASSI {  127}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.900     1.900     1.900 peak   127 spectrum    1 weight  0.10000E+01 volume  0.92061E-03 ppm1      8.270 ppm2      3.439 CV     1
 ASSI {  128}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.000     1.100     1.100 peak   128 spectrum    1 weight  0.10000E+01 volume  0.16699E-02 ppm1      8.273 ppm2      3.562 CV     1
 ASSI {  132}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.100     1.100 peak   132 spectrum    1 weight  0.10000E+01 volume  0.29179E-02 ppm1      7.689 ppm2      4.243 CV     1
 ASSI {  135}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.300     2.300     1.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.33217E-03 ppm1      7.691 ppm2      2.534 CV     1
 ASSI {  136}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      5.800     4.300     0.200 peak   136 spectrum    1 weight  0.67545E+00 volume  0.71520E-04 ppm1      7.689 ppm2      2.664 CV     1
 ASSI {  141}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      4.100     2.100     1.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.75212E-03 ppm1      7.818 ppm2      3.195 CV     1
 ASSI {  142}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
      3.600     1.600     1.600 peak   142 spectrum    1 weight  0.10000E+01 volume  0.10260E-02 ppm1      7.816 ppm2      4.050 CV     1
 ASSI {  145}
   (  segid "    " and resid 1    and name HT% )
   (( segid "    " and resid 2    and name HG12))
      3.000     1.100     1.100 peak   145 spectrum    1 weight  0.78200E+00 volume  0.40097E-02 ppm1      8.302 ppm2      1.260 CV     1
 ASSI {  148}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 1    and name HB% )
      4.100     2.100     1.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.19525E-02 ppm1      8.239 ppm2      1.125 CV     1
 ASSI {  159}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.200     0.600     0.600 peak   159 spectrum    1 weight  0.86391E+00 volume  0.59848E-02 ppm1      8.240 ppm2      4.247 CV     1
 ASSI {  160}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.000     0.500     0.500 peak   160 spectrum    1 weight  0.92308E+00 volume  0.10911E-01 ppm1      8.201 ppm2      4.048 CV     1
 ASSI {  161}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      3.200     1.300     1.300 peak   161 spectrum    1 weight  0.86391E+00 volume  0.16406E-02 ppm1      8.201 ppm2      1.661 CV     1
 ASSI {  162}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG12))
      5.900     4.400     0.100 peak   162 spectrum    1 weight  0.10000E+01 volume  0.21338E-03 ppm1      8.201 ppm2      1.263 CV     1
 ASSI {  164}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      3.500     1.500     1.500 peak   164 spectrum    1 weight  0.10000E+01 volume  0.18901E-02 ppm1      8.201 ppm2      0.715 CV     1
 ASSI {  179}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.100     0.600     0.600 peak   179 spectrum    1 weight  0.86391E+00 volume  0.10077E-01 ppm1      8.359 ppm2      4.247 CV     1
 ASSI {  204}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 16   and name HB  ))
      2.300     0.700     0.700 peak   204 spectrum    1 weight  0.88658E+00 volume  0.43015E-02 ppm1      1.929 ppm2      3.935 CV     1
 ASSI {  248}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak   248 spectrum    1 weight  0.86391E+00 volume  0.26115E-02 ppm1      2.660 ppm2      3.104 CV     1
 ASSI {  260}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 18   and name HB2 ))
      4.300     2.300     1.700 peak   260 spectrum    1 weight  0.88658E+00 volume  0.11317E-02 ppm1      3.472 ppm2      3.020 CV     1
 ASSI {  264}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 27   and name HB1 ))
      4.100     2.100     1.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.10208E-02 ppm1      3.458 ppm2      2.658 CV     1
 ASSI {  265}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 27   and name HB2 ))
      3.800     1.800     1.800 peak   265 spectrum    1 weight  0.95411E+00 volume  0.10425E-02 ppm1      3.460 ppm2      2.808 CV     1
 ASSI {  268}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 20   and name HB1 ))
      2.600     0.900     0.900 peak   268 spectrum    1 weight  0.10000E+01 volume  0.73203E-02 ppm1      2.914 ppm2      2.086 CV     1
 ASSI {  290}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      4.800     2.900     1.200 peak   290 spectrum    1 weight  0.10000E+01 volume  0.42545E-03 ppm1      7.443 ppm2      4.411 CV     1
 ASSI {  310}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 17   and name HB1 ))
      3.500     1.600     1.600 peak   310 spectrum    1 weight  0.72651E+00 volume  0.10641E-02 ppm1      7.340 ppm2      2.927 CV     1
 ASSI {  312}
   (( segid "    " and resid 25   and name HZ3 ))
   (( segid "    " and resid 17   and name HB1 ))
      3.400     1.500     1.500 peak   312 spectrum    1 weight  0.92308E+00 volume  0.10845E-02 ppm1      6.631 ppm2      2.927 CV     1
 ASSI {  313}
   (( segid "    " and resid 25   and name HZ3 ))
   (( segid "    " and resid 17   and name HB2 ))
      3.100     1.200     1.200 peak   313 spectrum    1 weight  0.92308E+00 volume  0.97377E-03 ppm1      6.631 ppm2      2.987 CV     1
 ASSI {  358}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 30   and name HB1 ))
      4.100     2.100     1.900 peak   358 spectrum    1 weight  0.92308E+00 volume  0.48253E-02 ppm1      1.880 ppm2      2.414 CV     1
 ASSI {  367}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.000     2.000     2.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.74407E-03 ppm1      8.286 ppm2      2.241 CV     1
 ASSI {  368}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.200     1.300     1.300 peak   368 spectrum    1 weight  0.92308E+00 volume  0.26849E-02 ppm1      8.288 ppm2      1.753 CV     1
 ASSI {  392}
   (( segid "    " and resid 25   and name HH2 ))
   (( segid "    " and resid 6    and name HB1 ))
      4.200     2.200     1.800 peak   392 spectrum    1 weight  0.10000E+01 volume  0.77777E-03 ppm1      7.010 ppm2      2.671 CV     1
 ASSI {  396}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 25   and name HB2 ))
      3.900     1.900     1.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.39603E-03 ppm1      7.243 ppm2      2.984 CV     1
 ASSI {  416}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.200     0.600     0.600 peak   416 spectrum    1 weight  0.10000E+01 volume  0.62046E-02 ppm1      8.370 ppm2      4.418 CV     1
 ASSI {  417}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.500     1.500     1.500 peak   417 spectrum    1 weight  0.10000E+01 volume  0.24255E-02 ppm1      8.369 ppm2      2.041 CV     1
 ASSI {  418}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.200     1.200     1.200 peak   418 spectrum    1 weight  0.10000E+01 volume  0.12288E-02 ppm1      8.881 ppm2      3.550 CV     1
 ASSI {  419}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      3.300     1.400     1.400 peak   419 spectrum    1 weight  0.10000E+01 volume  0.11737E-02 ppm1      8.879 ppm2      3.468 CV     1
 ASSI {  420}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.900     1.900     1.900 peak   420 spectrum    1 weight  0.10000E+01 volume  0.64162E-03 ppm1      8.591 ppm2      4.247 CV     1
 ASSI {  421}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      4.000     2.000     2.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.46278E-03 ppm1      9.540 ppm2      3.458 CV     1
 ASSI {  422}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.700     1.700     1.700 peak   422 spectrum    1 weight  0.10000E+01 volume  0.54519E-03 ppm1      9.541 ppm2      3.551 CV     1
 ASSI {  423}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      4.000     2.000     2.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.42120E-03 ppm1      9.055 ppm2      2.462 CV     1
 ASSI {  424}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
      3.800     1.800     1.800 peak   424 spectrum    1 weight  0.10000E+01 volume  0.70171E-03 ppm1      9.054 ppm2      2.203 CV     1
 ASSI {  426}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      4.400     2.400     1.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.77559E-03 ppm1      7.972 ppm2      0.461 CV     1
 ASSI {  427}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.400     2.400     1.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.47334E-03 ppm1      7.971 ppm2      1.979 CV     1
 ASSI {  428}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.900     1.900     1.900 peak   428 spectrum    1 weight  0.10000E+01 volume  0.38041E-03 ppm1      7.972 ppm2      2.041 CV     1
 ASSI {  429}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.600     2.600     1.400 peak   429 spectrum    1 weight  0.10000E+01 volume  0.58585E-03 ppm1      7.820 ppm2      1.971 CV     1
 ASSI {  430}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.900     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.12341E-02 ppm1      7.820 ppm2      2.048 CV     1
 ASSI {  435}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.300     0.700     0.700 peak   435 spectrum    1 weight  0.86391E+00 volume  0.71446E-02 ppm1      8.212 ppm2      4.368 CV     1
 ASSI {  436}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.000     0.500     0.500 peak   436 spectrum    1 weight  0.92308E+00 volume  0.61324E-02 ppm1      8.286 ppm2      4.443 CV     1
 ASSI {  437}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.400     1.500     1.500 peak   437 spectrum    1 weight  0.92308E+00 volume  0.11969E-02 ppm1      7.973 ppm2      4.352 CV     1
 ASSI {  439}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.600     1.600     1.600 peak   439 spectrum    1 weight  0.10000E+01 volume  0.65296E-03 ppm1      7.973 ppm2      3.673 CV     1
 ASSI {  440}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.000     1.100     1.100 peak   440 spectrum    1 weight  0.10000E+01 volume  0.22524E-02 ppm1      8.031 ppm2      4.289 CV     1
 ASSI {  441}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 26   and name HA2 ))
      3.300     1.400     1.400 peak   441 spectrum    1 weight  0.10000E+01 volume  0.88790E-03 ppm1      7.241 ppm2      4.290 CV     1
 ASSI {  442}
   (( segid "    " and resid 9    and name HZ  ))
   (( segid "    " and resid 26   and name HA2 ))
      3.700     1.700     1.700 peak   442 spectrum    1 weight  0.10000E+01 volume  0.58569E-03 ppm1      7.167 ppm2      4.287 CV     1
 ASSI {  446}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      4.000     2.000     2.000 peak   446 spectrum    1 weight  0.92308E+00 volume  0.11955E-02 ppm1      8.212 ppm2      1.590 CV     1
 ASSI {  447}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.900     1.900     1.900 peak   447 spectrum    1 weight  0.92308E+00 volume  0.11169E-02 ppm1      8.813 ppm2      3.670 CV     1
 ASSI {  448}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      5.100     3.300     0.900 peak   448 spectrum    1 weight  0.83523E+00 volume  0.11227E-03 ppm1      7.971 ppm2      2.403 CV     1
 ASSI {  449}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      5.900     4.400     0.100 peak   449 spectrum    1 weight  0.10000E+01 volume  0.27745E-03 ppm1      7.445 ppm2      3.200 CV     1
 ASSI {  451}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   451 spectrum    1 weight  0.10000E+01 volume  0.29139E-02 ppm1      7.444 ppm2      7.979 CV     1
 ASSI {  452}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.900     0.900 peak   452 spectrum    1 weight  0.10000E+01 volume  0.19668E-02 ppm1      7.444 ppm2      8.371 CV     1
 ASSI {  456}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.700     1.700     1.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.23264E-02 ppm1      8.270 ppm2      7.687 CV     1
 ASSI {  457}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.17208E-02 ppm1      8.270 ppm2      7.769 CV     1
 ASSI {  459}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak   459 spectrum    1 weight  0.92308E+00 volume  0.48810E-02 ppm1      7.973 ppm2      7.819 CV     1
 ASSI {  460}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 18   and name HN  ))
      3.500     1.500     1.500 peak   460 spectrum    1 weight  0.10000E+01 volume  0.99811E-03 ppm1      7.341 ppm2      9.228 CV     1
 ASSI {  461}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 26   and name HN  ))
      3.400     1.400     1.400 peak   461 spectrum    1 weight  0.10000E+01 volume  0.84244E-03 ppm1      7.342 ppm2      9.054 CV     1
 ASSI {  467}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      4.200     2.200     1.800 peak   467 spectrum    1 weight  0.10000E+01 volume  0.63452E-03 ppm1      8.814 ppm2      9.054 CV     1
 ASSI {  468}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.400     0.700     0.700 peak   468 spectrum    1 weight  0.92308E+00 volume  0.48876E-02 ppm1      8.275 ppm2      4.344 CV     1
 ASSI {  469}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG11))
      6.000     4.900     0.000 peak   469 spectrum    1 weight  0.84095E+00 volume  0.11479E-03 ppm1      8.201 ppm2      0.995 CV     1
 ASSI {  474}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      4.400     2.400     1.600 peak   474 spectrum    1 weight  0.10000E+01 volume  0.44298E-03 ppm1      8.359 ppm2      1.740 CV     1
 ASSI {  475}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      3.900     1.900     1.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.11913E-02 ppm1      8.360 ppm2      1.828 CV     1
 ASSI {  476}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      5.000     3.100     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.19082E-03 ppm1      8.888 ppm2      4.434 CV     1
 ASSI {  477}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      5.200     3.400     0.800 peak   477 spectrum    1 weight  0.10000E+01 volume  0.20707E-03 ppm1      8.881 ppm2      2.847 CV     1
 ASSI {  478}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
      3.800     1.800     1.800 peak   478 spectrum    1 weight  0.10000E+01 volume  0.51355E-03 ppm1      9.541 ppm2      1.057 CV     1
 ASSI {  479}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   479 spectrum    1 weight  0.10000E+01 volume  0.52807E-02 ppm1      8.287 ppm2      5.023 CV     1
 ASSI {  481}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.100     2.100     1.900 peak   481 spectrum    1 weight  0.92308E+00 volume  0.46542E-03 ppm1      8.360 ppm2      4.559 CV     1
 ASSI {  482}
   (( segid "    " and resid 25   and name HE1 ))
   (( segid "    " and resid 6    and name HB2 ))
      4.600     2.600     1.400 peak   482 spectrum    1 weight  0.10000E+01 volume  0.23741E-03 ppm1     10.029 ppm2      2.527 CV     1
 ASSI {  483}
   (( segid "    " and resid 25   and name HE1 ))
   (( segid "    " and resid 6    and name HB1 ))
      5.800     4.200     0.200 peak   483 spectrum    1 weight  0.10000E+01 volume  0.30312E-03 ppm1     10.030 ppm2      2.683 CV     1
 ASSI {  484}
   (( segid "    " and resid 25   and name HE1 ))
   (( segid "    " and resid 7    and name HB2 ))
      5.000     3.100     1.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.23838E-03 ppm1     10.031 ppm2      3.433 CV     1
 ASSI {  485}
   (( segid "    " and resid 25   and name HE1 ))
   (( segid "    " and resid 7    and name HB1 ))
      5.600     3.900     0.400 peak   485 spectrum    1 weight  0.78978E+00 volume  0.91050E-04 ppm1     10.030 ppm2      3.560 CV     1
 ASSI {  487}
   (( segid "    " and resid 25   and name HH2 ))
   (( segid "    " and resid 7    and name HB2 ))
      4.200     2.200     1.800 peak   487 spectrum    1 weight  0.10000E+01 volume  0.27176E-03 ppm1      7.009 ppm2      3.438 CV     1
 ASSI {  488}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 7    and name HB1 ))
      4.800     2.900     1.200 peak   488 spectrum    1 weight  0.10000E+01 volume  0.19738E-03 ppm1      7.084 ppm2      3.551 CV     1
 ASSI {  489}
   (( segid "    " and resid 25   and name HH2 ))
   (( segid "    " and resid 7    and name HB1 ))
      4.200     2.200     1.800 peak   489 spectrum    1 weight  0.68282E+00 volume  0.75562E-04 ppm1      7.010 ppm2      3.555 CV     1
 ASSI {  491}
   (( segid "    " and resid 25   and name HZ3 ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.400     1.400 peak   491 spectrum    1 weight  0.10000E+01 volume  0.90452E-03 ppm1      6.632 ppm2      5.049 CV     1
 ASSI {  494}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      5.100     3.200     0.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.36151E-03 ppm1      7.815 ppm2      0.464 CV     1
 ASSI {    1}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
      3.000     1.100     1.100 peak     1 spectrum    1 weight  0.10000E+01 volume  0.14233E-02 ppm1      5.512 ppm2      5.247 CV     1
 ASSI {   13}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 28   and name HA  ))
      2.300     0.700     0.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.63518E-02 ppm1      3.749 ppm2      5.127 CV     1
 ASSI {   15}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 28   and name HA  ))
      2.100     0.600     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.56094E-02 ppm1      3.570 ppm2      5.124 CV     1
 ASSI {   16}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.000     0.500     0.500 peak    16 spectrum    1 weight  0.92308E+00 volume  0.56816E-02 ppm1      3.480 ppm2      5.093 CV     1
 ASSI {   33}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.200     0.600     0.600 peak    33 spectrum    1 weight  0.10000E+01 volume  0.59146E-02 ppm1      3.717 ppm2      4.514 CV     1
 ASSI {   34}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.200     0.600     0.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.51697E-02 ppm1      3.565 ppm2      4.517 CV     1
 ASSI {  102}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HD2 ))
      3.600     1.600     1.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.94527E-03 ppm1      2.240 ppm2      3.670 CV     1
 ASSI {  105}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HD1 ))
      3.800     1.800     1.800 peak   105 spectrum    1 weight  0.10000E+01 volume  0.22916E-02 ppm1      2.241 ppm2      3.474 CV     1
 ASSI {  130}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HD2 ))
      4.600     2.600     1.400 peak   130 spectrum    1 weight  0.92308E+00 volume  0.10119E-02 ppm1      3.119 ppm2      3.667 CV     1
 ASSI {  133}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HD1 ))
      4.000     2.000     2.000 peak   133 spectrum    1 weight  0.92308E+00 volume  0.30458E-02 ppm1      3.120 ppm2      3.474 CV     1
 ASSI {  184}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.33797E-02 ppm1      5.038 ppm2      4.457 CV     1
 ASSI {  191}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      2.500     0.800     0.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.31528E-02 ppm1      4.821 ppm2      3.617 CV     1
 ASSI {  200}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
      5.200     3.400     0.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.10138E-02 ppm1      5.101 ppm2      1.843 CV     1
 ASSI {  201}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 3    and name HA  ))
      2.700     0.900     0.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.31021E-02 ppm1      4.600 ppm2      4.254 CV     1
 ASSI {  202}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 1    and name HA  ))
      3.100     1.200     1.200 peak   202 spectrum    1 weight  0.10000E+01 volume  0.10525E-02 ppm1      4.383 ppm2      4.253 CV     1
 ASSI {  227}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 16   and name HG2%)
      3.300     1.300     1.300 peak   227 spectrum    1 weight  0.10000E+01 volume  0.13726E-02 ppm1      4.523 ppm2      1.064 CV     1
 ASSI {  228}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 1    and name HB% )
      3.600     1.600     1.600 peak   228 spectrum    1 weight  0.10000E+01 volume  0.10134E-02 ppm1      4.384 ppm2      1.120 CV     1
 ASSI {  248}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.600     1.600     1.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.50769E-03 ppm1      4.260 ppm2      1.545 CV     1
 ASSI {  333}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 1    and name HB% )
      3.900     1.900     1.900 peak   333 spectrum    1 weight  0.10000E+01 volume  0.55150E-03 ppm1      1.659 ppm2      1.124 CV     1
 ASSI {  334}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 1    and name HB% )
      4.700     2.700     1.300 peak   334 spectrum    1 weight  0.10000E+01 volume  0.33699E-03 ppm1      1.549 ppm2      1.118 CV     1
 ASSI {  338}
   (( segid "    " and resid 30   and name HG2 ))
   (  segid "    " and resid 16   and name HG2%)
      3.200     1.300     1.300 peak   338 spectrum    1 weight  0.10000E+01 volume  0.13508E-02 ppm1      1.949 ppm2      1.064 CV     1
 ASSI {  380}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 16   and name HG2%)
      3.700     1.700     1.700 peak   380 spectrum    1 weight  0.10000E+01 volume  0.58169E-03 ppm1      3.256 ppm2      1.064 CV     1
 ASSI {  382}
   (( segid "    " and resid 31   and name HD2 ))
   (  segid "    " and resid 16   and name HG2%)
      4.500     2.600     1.500 peak   382 spectrum    1 weight  0.70170E+00 volume  0.47804E-04 ppm1      3.715 ppm2      1.065 CV     1
 ASSI {  383}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 16   and name HG2%)
      4.600     2.600     1.400 peak   383 spectrum    1 weight  0.10000E+01 volume  0.46608E-03 ppm1      3.035 ppm2      1.063 CV     1
 ASSI {  384}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 16   and name HG2%)
      4.200     2.200     1.800 peak   384 spectrum    1 weight  0.10000E+01 volume  0.66080E-03 ppm1      2.854 ppm2      1.063 CV     1
 ASSI {  385}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 16   and name HG2%)
      4.100     2.100     1.900 peak   385 spectrum    1 weight  0.10000E+01 volume  0.33980E-03 ppm1      2.793 ppm2      1.061 CV     1
 ASSI {  386}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 16   and name HG2%)
      4.900     3.000     1.100 peak   386 spectrum    1 weight  0.10000E+01 volume  0.70077E-03 ppm1      2.393 ppm2      1.064 CV     1
 ASSI {  387}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 16   and name HG2%)
      4.800     2.800     1.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.62809E-03 ppm1      2.332 ppm2      1.066 CV     1
 ASSI {  401}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 20   and name HG1 ))
      3.100     1.200     1.200 peak   401 spectrum    1 weight  0.92308E+00 volume  0.74803E-03 ppm1      3.823 ppm2      2.211 CV     1
 ASSI {  404}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 20   and name HG2 ))
      3.300     1.400     1.400 peak   404 spectrum    1 weight  0.92308E+00 volume  0.58008E-03 ppm1      3.806 ppm2      2.459 CV     1
 ASSI {  408}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 16   and name HG2%)
      5.600     3.900     0.400 peak   408 spectrum    1 weight  0.10000E+01 volume  0.23958E-03 ppm1      5.038 ppm2      1.056 CV     1
 ASSI {  409}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      6.000     4.700     0.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.26743E-03 ppm1      5.097 ppm2      1.654 CV     1
 ASSI {  410}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
      5.200     3.400     0.800 peak   410 spectrum    1 weight  0.92308E+00 volume  0.15375E-03 ppm1      5.038 ppm2      1.936 CV     1
 ASSI {  411}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.800     0.000 peak   411 spectrum    1 weight  0.96095E+00 volume  0.18156E-03 ppm1      5.037 ppm2      2.240 CV     1
 ASSI {  412}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      5.000     3.100     1.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.79415E-03 ppm1      5.038 ppm2      2.318 CV     1
 ASSI {  413}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      5.200     3.400     0.800 peak   413 spectrum    1 weight  0.92308E+00 volume  0.22155E-03 ppm1      5.036 ppm2      2.388 CV     1
 ASSI {  419}
   (( segid "    " and resid 25   and name HH2 ))
   (  segid "    " and resid 19   and name HG2%)
      2.700     0.900     0.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.10756E-02 ppm1      7.006 ppm2     -0.020 CV     1
 ASSI {  420}
   (( segid "    " and resid 25   and name HZ3 ))
   (  segid "    " and resid 19   and name HG2%)
      2.600     0.900     0.900 peak   420 spectrum    1 weight  0.10000E+01 volume  0.12393E-02 ppm1      6.635 ppm2     -0.018 CV     1
 ASSI {  421}
   (( segid "    " and resid 25   and name HZ2 ))
   (  segid "    " and resid 19   and name HG2%)
      4.000     2.000     2.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.46484E-03 ppm1      7.301 ppm2     -0.021 CV     1
 ASSI {  422}
   (( segid "    " and resid 25   and name HE3 ))
   (  segid "    " and resid 19   and name HG2%)
      4.300     2.300     1.700 peak   422 spectrum    1 weight  0.10000E+01 volume  0.44013E-03 ppm1      7.364 ppm2     -0.021 CV     1
 ASSI {  437}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 24   and name HA  ))
      4.900     3.000     1.100 peak   437 spectrum    1 weight  0.80966E+00 volume  0.15379E-03 ppm1      7.097 ppm2      4.164 CV     1
 ASSI {  466}
   (( segid "    " and resid 9    and name HZ  ))
   (( segid "    " and resid 25   and name HD1 ))
      5.300     3.600     0.700 peak   466 spectrum    1 weight  0.10000E+01 volume  0.41415E-03 ppm1      7.172 ppm2      7.082 CV     1
 ASSI {  468}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 27   and name HB2 ))
      4.200     2.200     1.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.73314E-03 ppm1      2.238 ppm2      2.816 CV     1
 ASSI {  469}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 27   and name HB1 ))
      4.000     2.000     2.000 peak   469 spectrum    1 weight  0.92308E+00 volume  0.71038E-03 ppm1      3.125 ppm2      2.661 CV     1
 ASSI {  470}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 27   and name HB2 ))
      4.200     2.300     1.800 peak   470 spectrum    1 weight  0.92308E+00 volume  0.13056E-02 ppm1      3.106 ppm2      2.820 CV     1
 ASSI {  513}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 18   and name HA  ))
      5.000     3.100     1.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.17468E-03 ppm1      7.361 ppm2      5.060 CV     1
 ASSI {  514}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 17   and name HA  ))
      4.400     2.400     1.600 peak   514 spectrum    1 weight  0.10000E+01 volume  0.34297E-03 ppm1      7.362 ppm2      5.250 CV     1
 ASSI {  515}
   (( segid "    " and resid 25   and name HD1 ))
   (  segid "    " and resid 19   and name HG1%)
      5.600     3.900     0.400 peak   515 spectrum    1 weight  0.92308E+00 volume  0.12899E-03 ppm1      7.098 ppm2      0.466 CV     1
 ASSI {  520}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 26   and name HA1 ))
      5.500     3.800     0.500 peak   520 spectrum    1 weight  0.10000E+01 volume  0.33585E-03 ppm1      7.261 ppm2      3.808 CV     1
 ASSI {  521}
   (( segid "    " and resid 9    and name HZ  ))
   (( segid "    " and resid 26   and name HA1 ))
      5.100     3.200     0.900 peak   521 spectrum    1 weight  0.10000E+01 volume  0.43820E-03 ppm1      7.189 ppm2      3.804 CV     1
 ASSI {  523}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 7    and name HB1 ))
      5.600     4.000     0.400 peak   523 spectrum    1 weight  0.10000E+01 volume  0.17392E-03 ppm1      7.260 ppm2      3.426 CV     1
 ASSI {  524}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 7    and name HB2 ))
      4.800     2.800     1.200 peak   524 spectrum    1 weight  0.10000E+01 volume  0.17280E-03 ppm1      7.256 ppm2      3.550 CV     1
 ASSI {  526}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 25   and name HB1 ))
      3.800     1.800     1.800 peak   526 spectrum    1 weight  0.10000E+01 volume  0.46595E-03 ppm1      7.260 ppm2      2.987 CV     1
 ASSI {  527}
   (( segid "    " and resid 9    and name HZ  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.900     1.900     1.900 peak   527 spectrum    1 weight  0.10000E+01 volume  0.47734E-03 ppm1      7.185 ppm2      2.998 CV     1
 ASSI {  529}
   (( segid "    " and resid 9    and name HZ  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.400     2.400     1.600 peak   529 spectrum    1 weight  0.10000E+01 volume  0.21798E-03 ppm1      7.189 ppm2      2.664 CV     1
 ASSI {  530}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 6    and name HB1 ))
      5.500     3.800     0.500 peak   530 spectrum    1 weight  0.10000E+01 volume  0.24635E-03 ppm1      7.098 ppm2      2.541 CV     1
 ASSI {  532}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 7    and name HB2 ))
      4.300     2.400     1.700 peak   532 spectrum    1 weight  0.10000E+01 volume  0.36424E-03 ppm1      7.098 ppm2      3.561 CV     1
 ASSI {  534}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 13   and name HB1 ))
      3.800     1.800     1.800 peak   534 spectrum    1 weight  0.10000E+01 volume  0.14585E-03 ppm1      7.234 ppm2      2.274 CV     1
 ASSI {  535}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.400     1.400     1.400 peak   535 spectrum    1 weight  0.66667E+00 volume  0.00000E+00 ppm1      4.622 ppm2      2.235 CV     1
 ASSI {  536}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.400     1.400     1.400 peak   536 spectrum    1 weight  0.66667E+00 volume  0.00000E+00 ppm1      4.622 ppm2      3.105 CV     1
 ASSI {  539}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.400     1.400     1.400 peak   539 spectrum    1 weight  0.58974E+00 volume  0.00000E+00 ppm1      5.037 ppm2      1.677 CV     1
 ASSI {  540}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.400     1.400 peak   540 spectrum    1 weight  0.58974E+00 volume  0.00000E+00 ppm1      5.107 ppm2      2.816 CV     1
 ASSI {  541}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 19   and name HG1%)
      3.400     1.400     1.400 peak   541 spectrum    1 weight  0.66667E+00 volume  0.00000E+00 ppm1      4.821 ppm2      0.461 CV     1
 ASSI {  543}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 19   and name HG2%)
      6.000     6.000     0.000 peak   543 spectrum    1 weight  0.73998E+00 volume  0.32243E-04 ppm1      5.065 ppm2     -0.022 CV     1
 ASSI {  547}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HD2 ))
      3.400     1.400     1.400 peak   547 spectrum    1 weight  0.66667E+00 volume  0.00000E+00 ppm1      2.792 ppm2      3.744 CV     1
 ASSI {  548}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HD2 ))
      3.400     1.400     1.400 peak   548 spectrum    1 weight  0.58974E+00 volume  0.00000E+00 ppm1      2.860 ppm2      3.739 CV     1
 ASSI {  234}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HD2 ))
      3.500     1.500     1.500 peak   234 spectrum    1 weight  0.86391E+00 volume  0.34875E-02 ppm1      3.106 ppm2      3.461 CV     1
 OR {  234}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 7    and name HB2 ))
! This file contains the hydrogen bond constraints...
assign (resid  18 and name HN   ) (resid  26 and name O   )    1.800    0.000    0.200
assign (resid  18 and name  N   ) (resid  26 and name O   )    2.700    0.000    0.300
assign (resid  26 and name HN   ) (resid  18 and name O   )    1.800    0.000    0.200
assign (resid  26 and name  N   ) (resid  18 and name O   )    2.700    0.000    0.300
assign (resid  28 and name HN   ) (resid  16 and name O   )    1.800    0.000    0.200
assign (resid  28 and name  N   ) (resid  16 and name O   )    2.700    0.000    0.300

! Output generated by user pwang on 13.08.2002.
! Script: /home/software_linux/nmr/bin/topcat.pl 
! Phi:
assign (resid   27 and name C)
       (resid   28 and name N)
       (resid   28 and name CA)
       (resid   28 and name C)
       1.0 -120  37 2
assign (resid   26 and name C)
       (resid   27 and name N)
       (resid   27 and name CA)
       (resid   27 and name C)
       1.0 -120  34 2
assign (resid   20 and name C)
       (resid   21 and name N)
       (resid   21 and name CA)
       (resid   21 and name C)
       1.0  60  135 2
assign (resid   3  and name C)
       (resid   4  and name N)
       (resid   4  and name CA)
       (resid   4  and name C)
       1.0  60  135 2
assign (resid   12 and name C)
       (resid   13 and name N)
       (resid   13 and name CA)
       (resid   13 and name C)
       1.0  60  135 2
assign (resid   14 and name C)
       (resid   15 and name N)
       (resid   15 and name CA)
       (resid   15 and name C)
       1.0 -120  37 2
assign (resid    1 and name C)
       (resid    2 and name N)
       (resid    2 and name CA)
       (resid    2 and name C)
       1.0 -120  40 2
! Output generated by user pwang on 13.08.2002.
! Script: /home/software_linux/nmr/bin/topcat.pl 
! Phi:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -135  50 2
assign (resid   9 and name C)
       (resid   10 and name N)
       (resid   10 and name CA)
       (resid   10 and name C)
       1.0 -135  50 2
assign (resid   10 and name C)
       (resid   11 and name N)
       (resid   11 and name CA)
       (resid   11 and name C)
       1.0 -135  50 2
assign (resid   11 and name C)
       (resid   12 and name N)
       (resid   12 and name CA)
       (resid   12 and name C)
       1.0 -135  50 2
assign (resid   14 and name C)
       (resid   15 and name N)
       (resid   15 and name CA)
       (resid   15 and name C)
       1.0 -135  50 2
assign (resid   15 and name C)
       (resid   16 and name N)
       (resid   16 and name CA)
       (resid   16 and name C)
       1.0 -135  50 2
assign (resid   16 and name C)
       (resid   17 and name N)
       (resid   17 and name CA)
       (resid   17 and name C)
       1.0 -135  50 2
assign (resid   17 and name C)
       (resid   18 and name N)
       (resid   18 and name CA)
       (resid   18 and name C)
       1.0 -135  50 2
assign (resid   24 and name C)
       (resid   25 and name N)
       (resid   25 and name CA)
       (resid   25 and name C)
       1.0 -135  50 2
assign (resid   25 and name C)
       (resid   26 and name N)
       (resid   26 and name CA)
       (resid   26 and name C)
       1.0 -135  50 2
assign (resid   26 and name C)
       (resid   27 and name N)
       (resid   27 and name CA)
       (resid   27 and name C)
       1.0 -135  50 2

! Psi:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid   10 and name N)
       1.0 135  50 2
assign (resid   10 and name N)
       (resid   10 and name CA)
       (resid   10 and name C)
       (resid   11 and name N)
       1.0 135  50 2
assign (resid   11 and name N)
       (resid   11 and name CA)
       (resid   11 and name C)
       (resid   12 and name N)
       1.0 135  50 2
assign (resid   12 and name N)
       (resid   12 and name CA)
       (resid   12 and name C)
       (resid   13 and name N)
       1.0 135  50 2
assign (resid   15 and name N)
       (resid   15 and name CA)
       (resid   15 and name C)
       (resid   16 and name N)
       1.0 135  50 2
assign (resid   16 and name N)
       (resid   16 and name CA)
       (resid   16 and name C)
       (resid   17 and name N)
       1.0 135  50 2
assign (resid   17 and name N)
       (resid   17 and name CA)
       (resid   17 and name C)
       (resid   18 and name N)
       1.0 135  50 2
assign (resid   18 and name N)
       (resid   18 and name CA)
       (resid   18 and name C)
       (resid   19 and name N)
       1.0 135  50 2
assign (resid   25 and name N)
       (resid   25 and name CA)
       (resid   25 and name C)
       (resid   26 and name N)
       1.0 135  50 2
assign (resid   26 and name N)
       (resid   26 and name CA)
       (resid   26 and name C)
       (resid   27 and name N)
       1.0 135  50 2
assign (resid   27 and name N)
       (resid   27 and name CA)
       (resid   27 and name C)
       (resid   28 and name N)
       1.0 135  50 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ALA   1           HT1      ALA   1  -7.331   7.731   1.147
    2    HA   ALA   1           HA       ALA   1  -5.610   7.072  -0.554
    3    HB1  ALA   1           HB1      ALA   1  -5.440   8.278  -2.406
    4    HB2  ALA   1           HB2      ALA   1  -5.102   9.723  -1.453
    5    HB3  ALA   1           HB3      ALA   1  -6.766   9.303  -1.857
    6    H    ILE   2           HN       ILE   2  -4.395   6.786   1.243
    7    HA   ILE   2           HA       ILE   2  -3.358   9.209   2.565
    8    HB   ILE   2           HB       ILE   2  -2.797   7.163   4.313
    9   HG12  ILE   2          2HG1      ILE   2  -5.672   6.741   3.537
   10   HG13  ILE   2          1HG1      ILE   2  -4.393   5.793   2.788
   11   HG21  ILE   2          1HG2      ILE   2  -4.945   8.118   5.480
   12   HG22  ILE   2          2HG2      ILE   2  -4.888   9.277   4.152
   13   HG23  ILE   2          3HG2      ILE   2  -3.516   9.125   5.251
   14   HD11  ILE   2          3HD1      ILE   2  -5.569   4.771   4.778
   15   HD12  ILE   2          1HD1      ILE   2  -4.722   5.964   5.763
   16   HD13  ILE   2          2HD1      ILE   2  -3.806   4.786   4.822
   17    H    GLN   3           HN       GLN   3  -1.156   8.945   3.506
   18    HA   GLN   3           HA       GLN   3   0.571   7.687   1.529
   19    HB2  GLN   3           HB2      GLN   3   0.858   9.844   3.542
   20    HB3  GLN   3           HB1      GLN   3   2.300   8.898   3.201
   21    HG2  GLN   3           HG2      GLN   3   2.652  10.042   1.348
   22    HG3  GLN   3           HG1      GLN   3   1.060   9.596   0.735
   23   HE21  GLN   3          1HE2      GLN   3   2.886  12.139   1.041
   24   HE22  GLN   3          2HE2      GLN   3   1.735  13.359   1.456
   25    H    CYS   4           HN       CYS   4   2.804   7.011   2.727
   26    HA   CYS   4           HA       CYS   4   2.477   5.534   5.149
   27    HB2  CYS   4           HB2      CYS   4   3.201   3.378   3.641
   28    HB3  CYS   4           HB1      CYS   4   1.564   3.696   4.206
   29    HA   PRO   5           HA       PRO   5   6.803   6.693   4.942
   30    HB2  PRO   5           HB2      PRO   5   6.930   4.860   7.280
   31    HB3  PRO   5           HB1      PRO   5   7.495   6.527   7.123
   32    HG2  PRO   5           HG2      PRO   5   5.287   5.968   8.500
   33    HG3  PRO   5           HG1      PRO   5   5.382   7.417   7.480
   34    HD2  PRO   5           HD2      PRO   5   4.000   4.816   6.960
   35    HD3  PRO   5           HD1      PRO   5   3.481   6.469   6.567
   36    H    ASP   6           HN       ASP   6   8.907   5.552   4.912
   37    HA   ASP   6           HA       ASP   6  10.308   4.012   4.004
   38    HB2  ASP   6           HB2      ASP   6   8.243   2.099   5.112
   39    HB3  ASP   6           HB1      ASP   6   9.824   1.618   4.503
   40    H    SER   7           HN       SER   7   8.041   5.107   2.422
   41    HA   SER   7           HA       SER   7   8.206   3.178   0.224
   42    HG   SER   7           HG       SER   7   5.179   3.159  -0.915
   43    HB2  SER   7           HB2      SER   7   6.054   2.624   0.902
   44    HB3  SER   7           HB1      SER   7   5.700   4.256   1.466
   45    H    GLN   8           HN       GLN   8   7.882   4.116  -1.878
   46    HA   GLN   8           HA       GLN   8   8.485   6.995  -1.907
   47    HB2  GLN   8           HB2      GLN   8   9.549   4.709  -3.358
   48    HB3  GLN   8           HB1      GLN   8   9.047   6.001  -4.440
   49    HG2  GLN   8           HG2      GLN   8  10.400   7.546  -2.912
   50    HG3  GLN   8           HG1      GLN   8  11.115   6.065  -2.277
   51   HE21  GLN   8          1HE2      GLN   8  10.294   7.433  -5.452
   52   HE22  GLN   8          2HE2      GLN   8  11.799   7.037  -6.201
   53    H    PHE   9           HN       PHE   9   5.912   5.055  -2.266
   54    HA   PHE   9           HA       PHE   9   4.665   6.881  -4.201
   55    HD1  PHE   9           HD2      PHE   9   4.010   2.817  -2.874
   56    HD2  PHE   9           HD1      PHE   9   6.576   4.134  -6.004
   57    HE1  PHE   9           HE2      PHE   9   5.429   0.835  -2.539
   58    HE2  PHE   9           HE1      PHE   9   7.999   2.154  -5.675
   59    HZ   PHE   9           HZ       PHE   9   7.427   0.502  -3.941
   60    HB2  PHE   9           HB2      PHE   9   3.300   4.504  -4.577
   61    HB3  PHE   9           HB1      PHE   9   4.502   5.188  -5.665
   62    H    GLU  10           HN       GLU  10   2.160   6.447  -4.155
   63    HA   GLU  10           HA       GLU  10   1.366   6.303  -1.321
   64    HB2  GLU  10           HB2      GLU  10   0.007   7.909  -3.489
   65    HB3  GLU  10           HB1      GLU  10  -0.348   7.940  -1.767
   66    HG2  GLU  10           HG2      GLU  10   1.434   9.254  -1.277
   67    HG3  GLU  10           HG1      GLU  10   2.410   8.619  -2.601
   68    H    CYS  11           HN       CYS  11  -1.136   5.958  -1.191
   69    HA   CYS  11           HA       CYS  11  -1.981   3.944  -3.152
   70    HB2  CYS  11           HB2      CYS  11  -1.996   3.623  -0.146
   71    HB3  CYS  11           HB1      CYS  11  -2.873   2.566  -1.247
   72    HA   PRO  12           HA       PRO  12  -5.735   6.294  -2.768
   73    HB2  PRO  12           HB2      PRO  12  -7.251   4.946  -4.500
   74    HB3  PRO  12           HB1      PRO  12  -5.847   5.870  -5.048
   75    HG2  PRO  12           HG2      PRO  12  -6.126   2.925  -4.618
   76    HG3  PRO  12           HG1      PRO  12  -5.298   3.792  -5.922
   77    HD2  PRO  12           HD2      PRO  12  -4.052   2.705  -3.698
   78    HD3  PRO  12           HD1      PRO  12  -3.377   3.996  -4.710
   79    H    ASP  13           HN       ASP  13  -8.215   5.672  -2.650
   80    HA   ASP  13           HA       ASP  13  -8.537   4.197  -0.219
   81    HB2  ASP  13           HB2      ASP  13 -10.040   6.110  -1.722
   82    HB3  ASP  13           HB1      ASP  13 -11.067   4.715  -1.404
   83    H    PHE  14           HN       PHE  14  -8.021   3.064  -3.179
   84    HA   PHE  14           HA       PHE  14 -10.094   1.020  -3.213
   85    HD1  PHE  14           HD1      PHE  14 -10.166   3.644  -5.052
   86    HD2  PHE  14           HD2      PHE  14 -10.271  -0.353  -6.509
   87    HE1  PHE  14           HE1      PHE  14 -12.209   4.164  -6.320
   88    HE2  PHE  14           HE2      PHE  14 -12.314   0.160  -7.780
   89    HZ   PHE  14           HZ       PHE  14 -13.286   2.421  -7.686
   90    HB2  PHE  14           HB2      PHE  14  -8.104   2.061  -5.137
   91    HB3  PHE  14           HB1      PHE  14  -8.459   0.341  -5.262
   92    H    SER  15           HN       SER  15  -6.762   1.419  -2.336
   93    HA   SER  15           HA       SER  15  -6.728  -1.281  -1.262
   94    HG   SER  15           HG       SER  15  -5.440  -2.085  -4.450
   95    HB2  SER  15           HB2      SER  15  -4.753  -0.316  -3.336
   96    HB3  SER  15           HB1      SER  15  -4.454  -1.704  -2.290
   97    H    THR  16           HN       THR  16  -5.348  -1.547   0.468
   98    HA   THR  16           HA       THR  16  -4.413   0.903   1.698
   99    HB   THR  16           HB       THR  16  -5.573  -0.653   3.132
  100    HG1  THR  16           HG1      THR  16  -2.956  -1.071   4.014
  101   HG21  THR  16          3HG2      THR  16  -3.462  -2.625   2.267
  102   HG22  THR  16          1HG2      THR  16  -5.205  -2.741   2.028
  103   HG23  THR  16          2HG2      THR  16  -4.526  -2.877   3.650
  104    H    CYS  17           HN       CYS  17  -2.245   0.917   2.778
  105    HA   CYS  17           HA       CYS  17  -0.230   0.176   0.836
  106    HB2  CYS  17           HB2      CYS  17  -0.503   2.340   2.452
  107    HB3  CYS  17           HB1      CYS  17   0.620   1.371   3.401
  108    H    CYS  18           HN       CYS  18   0.529  -1.829   0.869
  109    HA   CYS  18           HA       CYS  18   1.314  -2.981   3.459
  110    HG   CYS  18           HG       CYS  18   0.031  -4.345   4.757
  111    HB2  CYS  18           HB2      CYS  18  -0.706  -3.964   1.750
  112    HB3  CYS  18           HB1      CYS  18   0.667  -5.050   1.565
  113    H    VAL  19           HN       VAL  19   2.644  -5.163   2.785
  114    HA   VAL  19           HA       VAL  19   4.636  -4.313   0.789
  115    HB   VAL  19           HB       VAL  19   6.442  -5.028   2.162
  116   HG11  VAL  19          1HG1      VAL  19   4.627  -3.006   3.002
  117   HG12  VAL  19          2HG1      VAL  19   6.377  -3.073   3.209
  118   HG13  VAL  19          3HG1      VAL  19   5.317  -3.765   4.437
  119   HG21  VAL  19          3HG2      VAL  19   6.301  -6.574   3.763
  120   HG22  VAL  19          1HG2      VAL  19   4.621  -6.793   3.273
  121   HG23  VAL  19          2HG2      VAL  19   5.017  -5.699   4.597
  122    H    MET  20           HN       MET  20   6.190  -6.271   0.340
  123    HA   MET  20           HA       MET  20   4.532  -8.686   0.015
  124    HB2  MET  20           HB2      MET  20   6.691  -8.050  -1.947
  125    HB3  MET  20           HB1      MET  20   5.211  -8.970  -2.174
  126    HG2  MET  20           HG2      MET  20   3.999  -7.151  -2.703
  127    HG3  MET  20           HG1      MET  20   4.858  -6.112  -1.568
  128    HE1  MET  20           HE1      MET  20   6.620  -8.026  -5.013
  129    HE2  MET  20           HE2      MET  20   5.507  -6.978  -5.894
  130    HE3  MET  20           HE3      MET  20   4.892  -8.082  -4.664
  131    H    VAL  21           HN       VAL  21   6.037 -10.613  -0.638
  132    HA   VAL  21           HA       VAL  21   7.830 -11.008   1.561
  133    HB   VAL  21           HB       VAL  21   7.613 -12.862  -0.795
  134   HG11  VAL  21          1HG1      VAL  21   9.262 -13.188   1.120
  135   HG12  VAL  21          2HG1      VAL  21   8.214 -14.550   0.724
  136   HG13  VAL  21          3HG1      VAL  21   7.854 -13.537   2.122
  137   HG21  VAL  21          3HG2      VAL  21   5.338 -12.447  -0.327
  138   HG22  VAL  21          1HG2      VAL  21   5.616 -12.440   1.414
  139   HG23  VAL  21          2HG2      VAL  21   5.727 -13.950   0.510
  140    H    ASP  22           HN       ASP  22   8.152 -10.206  -1.815
  141    HA   ASP  22           HA       ASP  22  10.827 -10.902  -2.234
  142    HB2  ASP  22           HB2      ASP  22   8.954  -9.968  -3.856
  143    HB3  ASP  22           HB1      ASP  22   9.727  -8.427  -3.496
  144    H    GLY  23           HN       GLY  23   9.443  -7.776  -1.226
  145    HA2  GLY  23           HA2      GLY  23  10.813  -6.845   0.736
  146    HA3  GLY  23           HA1      GLY  23  12.145  -6.934  -0.406
  147    H    SER  24           HN       SER  24   8.986  -6.119  -1.558
  148    HA   SER  24           HA       SER  24   9.775  -3.286  -1.719
  149    HG   SER  24           HG       SER  24   8.859  -2.196  -3.831
  150    HB2  SER  24           HB2      SER  24   9.727  -4.899  -3.887
  151    HB3  SER  24           HB1      SER  24   8.050  -4.355  -3.879
  152    H    TRP  25           HN       TRP  25   8.015  -1.768  -1.859
  153    HA   TRP  25           HA       TRP  25   5.751  -2.609  -0.246
  154    HD1  TRP  25           HD1      TRP  25   8.757  -0.801   0.837
  155    HE1  TRP  25           HE1      TRP  25   8.658  -0.604   3.401
  156    HE3  TRP  25           HE3      TRP  25   3.730  -0.059   1.402
  157    HZ2  TRP  25           HZ2      TRP  25   6.708  -0.191   5.399
  158    HZ3  TRP  25           HZ3      TRP  25   2.830   0.224   3.673
  159    HH2  TRP  25           HH2      TRP  25   4.287   0.161   5.629
  160    HB2  TRP  25           HB2      TRP  25   6.934   0.012  -1.055
  161    HB3  TRP  25           HB1      TRP  25   5.244  -0.032  -0.564
  162    H    GLY  26           HN       GLY  26   3.548  -1.875  -0.824
  163    HA2  GLY  26           HA2      GLY  26   2.822  -1.106  -3.428
  164    HA3  GLY  26           HA1      GLY  26   2.767  -2.860  -3.334
  165    H    CYS  27           HN       CYS  27   0.568  -1.029  -3.775
  166    HA   CYS  27           HA       CYS  27  -0.951  -1.025  -1.308
  167    HB2  CYS  27           HB2      CYS  27  -2.025  -0.329  -4.033
  168    HB3  CYS  27           HB1      CYS  27  -2.575   0.242  -2.461
  169    H    CYS  28           HN       CYS  28  -1.994  -2.762  -0.634
  170    HA   CYS  28           HA       CYS  28  -2.899  -4.741  -2.610
  171    HG   CYS  28           HG       CYS  28  -1.919  -7.089  -2.506
  172    HB2  CYS  28           HB2      CYS  28  -1.365  -5.169  -0.431
  173    HB3  CYS  28           HB1      CYS  28  -2.959  -5.401   0.279
  174    HA   PRO  29           HA       PRO  29  -7.145  -3.669  -2.014
  175    HB2  PRO  29           HB2      PRO  29  -7.664  -6.592  -2.147
  176    HB3  PRO  29           HB1      PRO  29  -8.337  -5.283  -3.125
  177    HG2  PRO  29           HG2      PRO  29  -6.504  -6.932  -4.135
  178    HG3  PRO  29           HG1      PRO  29  -6.490  -5.202  -4.526
  179    HD2  PRO  29           HD2      PRO  29  -4.758  -6.732  -2.628
  180    HD3  PRO  29           HD1      PRO  29  -4.330  -5.401  -3.723
  181    H    MET  30           HN       MET  30  -8.345  -3.321  -0.245
  182    HA   MET  30           HA       MET  30  -7.606  -4.283   2.280
  183    HB2  MET  30           HB2      MET  30  -9.702  -2.573   1.174
  184    HB3  MET  30           HB1      MET  30 -10.232  -3.478   2.585
  185    HG2  MET  30           HG2      MET  30  -7.778  -2.543   3.362
  186    HG3  MET  30           HG1      MET  30  -8.406  -1.221   2.380
  187    HE1  MET  30           HE1      MET  30  -9.308   0.751   3.938
  188    HE2  MET  30           HE2      MET  30  -7.927  -0.027   4.712
  189    HE3  MET  30           HE3      MET  30  -9.353   0.389   5.664
  190    HA   PRO  31           HA       PRO  31  -9.620  -8.216   2.469
  191    HB2  PRO  31           HB2      PRO  31  -9.845  -8.525   5.142
  192    HB3  PRO  31           HB1      PRO  31  -8.290  -8.618   4.307
  193    HG2  PRO  31           HG2      PRO  31  -9.495  -6.329   5.817
  194    HG3  PRO  31           HG1      PRO  31  -7.831  -6.941   5.856
  195    HD2  PRO  31           HD2      PRO  31  -8.563  -4.763   4.412
  196    HD3  PRO  31           HD1      PRO  31  -7.250  -5.850   3.914
  197    H    GLN  32           HN       GLN  32 -11.677  -8.480   1.878
  198    HA   GLN  32           HA       GLN  32 -13.784  -6.977   3.243
  199    HB2  GLN  32           HB2      GLN  32 -13.380  -7.532   0.581
  200    HB3  GLN  32           HB1      GLN  32 -14.582  -8.733   1.034
  201    HG2  GLN  32           HG2      GLN  32 -16.183  -7.157   1.504
  202    HG3  GLN  32           HG1      GLN  32 -14.998  -5.893   1.827
  203   HE21  GLN  32          1HE2      GLN  32 -15.039  -4.349   0.377
  204   HE22  GLN  32          2HE2      GLN  32 -15.360  -4.534  -1.311
  Start of MODEL    2
    1    H    ALA   1           HT1      ALA   1  -6.508   9.593   0.508
    2    HA   ALA   1           HA       ALA   1  -5.131   8.044  -1.063
    3    HB1  ALA   1           HB1      ALA   1  -5.412  10.629  -2.574
    4    HB2  ALA   1           HB2      ALA   1  -5.747   8.994  -3.141
    5    HB3  ALA   1           HB3      ALA   1  -4.085   9.497  -2.838
    6    H    ILE   2           HN       ILE   2  -4.275   8.229   1.101
    7    HA   ILE   2           HA       ILE   2  -2.491  10.533   1.503
    8    HB   ILE   2           HB       ILE   2  -3.327   8.509   3.578
    9   HG12  ILE   2          2HG1      ILE   2  -5.304   9.705   2.761
   10   HG13  ILE   2          1HG1      ILE   2  -4.903  10.212   4.397
   11   HG21  ILE   2          1HG2      ILE   2  -2.298   9.843   5.153
   12   HG22  ILE   2          2HG2      ILE   2  -2.352  11.278   4.129
   13   HG23  ILE   2          3HG2      ILE   2  -1.202   9.987   3.779
   14   HD11  ILE   2          3HD1      ILE   2  -5.582  12.054   2.875
   15   HD12  ILE   2          1HD1      ILE   2  -4.125  11.743   1.930
   16   HD13  ILE   2          2HD1      ILE   2  -3.993  12.268   3.608
   17    H    GLN   3           HN       GLN   3  -0.326  10.270   1.739
   18    HA   GLN   3           HA       GLN   3   0.809   7.776   0.861
   19    HB2  GLN   3           HB2      GLN   3   2.531   9.953   1.941
   20    HB3  GLN   3           HB1      GLN   3   2.766   8.932   0.530
   21    HG2  GLN   3           HG2      GLN   3   1.570  10.297  -0.838
   22    HG3  GLN   3           HG1      GLN   3   0.531  10.877   0.463
   23   HE21  GLN   3          1HE2      GLN   3   1.065  12.914  -0.766
   24   HE22  GLN   3          2HE2      GLN   3   2.449  13.803  -0.234
   25    H    CYS   4           HN       CYS   4   1.476   6.158   2.103
   26    HA   CYS   4           HA       CYS   4   1.206   6.205   4.916
   27    HB2  CYS   4           HB2      CYS   4   2.511   4.247   3.027
   28    HB3  CYS   4           HB1      CYS   4   2.432   3.977   4.765
   29    HA   PRO   5           HA       PRO   5   4.965   7.798   6.568
   30    HB2  PRO   5           HB2      PRO   5   5.283   5.204   8.004
   31    HB3  PRO   5           HB1      PRO   5   5.317   6.853   8.639
   32    HG2  PRO   5           HG2      PRO   5   3.182   5.311   9.004
   33    HG3  PRO   5           HG1      PRO   5   3.002   7.038   8.645
   34    HD2  PRO   5           HD2      PRO   5   2.591   4.677   6.867
   35    HD3  PRO   5           HD1      PRO   5   1.708   6.216   6.923
   36    H    ASP   6           HN       ASP   6   5.199   4.335   5.760
   37    HA   ASP   6           HA       ASP   6   7.976   4.725   4.926
   38    HB2  ASP   6           HB2      ASP   6   6.770   2.684   6.317
   39    HB3  ASP   6           HB1      ASP   6   6.849   2.024   4.687
   40    H    SER   7           HN       SER   7   7.968   2.483   3.104
   41    HA   SER   7           HA       SER   7   7.787   2.069   0.880
   42    HG   SER   7           HG       SER   7   4.517   3.469  -0.360
   43    HB2  SER   7           HB2      SER   7   5.660   1.787   0.137
   44    HB3  SER   7           HB1      SER   7   5.237   2.181   1.803
   45    H    GLN   8           HN       GLN   8   6.915   3.311  -1.298
   46    HA   GLN   8           HA       GLN   8   7.854   6.089  -1.149
   47    HB2  GLN   8           HB2      GLN   8   8.859   3.939  -3.010
   48    HB3  GLN   8           HB1      GLN   8   9.078   5.654  -3.338
   49    HG2  GLN   8           HG2      GLN   8  10.946   5.563  -2.162
   50    HG3  GLN   8           HG1      GLN   8   9.964   5.301  -0.722
   51   HE21  GLN   8          1HE2      GLN   8  10.871   3.309  -3.518
   52   HE22  GLN   8          2HE2      GLN   8  11.471   1.980  -2.593
   53    H    PHE   9           HN       PHE   9   5.457   4.024  -2.032
   54    HA   PHE   9           HA       PHE   9   4.613   5.656  -4.328
   55    HD1  PHE   9           HD1      PHE   9   5.679   3.703  -6.252
   56    HD2  PHE   9           HD2      PHE   9   4.662   1.490  -2.763
   57    HE1  PHE   9           HE1      PHE   9   7.539   2.154  -6.697
   58    HE2  PHE   9           HE2      PHE   9   6.521  -0.061  -3.201
   59    HZ   PHE   9           HZ       PHE   9   7.961   0.269  -5.169
   60    HB2  PHE   9           HB2      PHE   9   3.206   3.133  -3.560
   61    HB3  PHE   9           HB1      PHE   9   3.420   3.853  -5.152
   62    H    GLU  10           HN       GLU  10   2.081   5.671  -4.474
   63    HA   GLU  10           HA       GLU  10   0.994   6.379  -1.832
   64    HB2  GLU  10           HB2      GLU  10   0.448   7.843  -4.420
   65    HB3  GLU  10           HB1      GLU  10  -0.189   8.254  -2.834
   66    HG2  GLU  10           HG2      GLU  10   1.900   8.977  -2.060
   67    HG3  GLU  10           HG1      GLU  10   2.756   8.198  -3.389
   68    H    CYS  11           HN       CYS  11  -0.477   4.874  -1.387
   69    HA   CYS  11           HA       CYS  11  -1.981   3.572  -3.490
   70    HB2  CYS  11           HB2      CYS  11  -2.128   3.219  -0.489
   71    HB3  CYS  11           HB1      CYS  11  -2.876   2.172  -1.690
   72    HA   PRO  12           HA       PRO  12  -5.602   6.077  -3.018
   73    HB2  PRO  12           HB2      PRO  12  -7.423   4.549  -4.232
   74    HB3  PRO  12           HB1      PRO  12  -6.063   5.233  -5.131
   75    HG2  PRO  12           HG2      PRO  12  -6.441   2.457  -4.088
   76    HG3  PRO  12           HG1      PRO  12  -5.754   2.990  -5.632
   77    HD2  PRO  12           HD2      PRO  12  -4.277   2.246  -3.407
   78    HD3  PRO  12           HD1      PRO  12  -3.675   3.256  -4.736
   79    H    ASP  13           HN       ASP  13  -8.101   5.638  -2.500
   80    HA   ASP  13           HA       ASP  13  -8.157   4.753   0.220
   81    HB2  ASP  13           HB2      ASP  13  -9.736   6.422  -1.433
   82    HB3  ASP  13           HB1      ASP  13 -10.794   5.147  -0.834
   83    H    PHE  14           HN       PHE  14  -7.981   2.918  -2.377
   84    HA   PHE  14           HA       PHE  14 -10.069   1.016  -1.577
   85    HD1  PHE  14           HD2      PHE  14 -11.878   1.694  -3.262
   86    HD2  PHE  14           HD1      PHE  14  -8.341   2.633  -5.434
   87    HE1  PHE  14           HE2      PHE  14 -13.068   3.520  -4.403
   88    HE2  PHE  14           HE1      PHE  14  -9.525   4.460  -6.579
   89    HZ   PHE  14           HZ       PHE  14 -11.892   4.906  -6.065
   90    HB2  PHE  14           HB2      PHE  14  -8.333   0.821  -4.034
   91    HB3  PHE  14           HB1      PHE  14  -9.867   0.015  -3.721
   92    H    SER  15           HN       SER  15  -6.586   1.236  -2.210
   93    HA   SER  15           HA       SER  15  -6.249  -1.270  -0.694
   94    HG   SER  15           HG       SER  15  -6.020  -1.450  -4.011
   95    HB2  SER  15           HB2      SER  15  -4.626  -0.225  -3.023
   96    HB3  SER  15           HB1      SER  15  -4.141  -1.596  -2.023
   97    H    THR  16           HN       THR  16  -4.325  -1.451   0.582
   98    HA   THR  16           HA       THR  16  -3.413   1.155   1.586
   99    HB   THR  16           HB       THR  16  -4.463  -0.194   3.298
  100    HG1  THR  16           HG1      THR  16  -2.403   0.984   3.725
  101   HG21  THR  16          3HG2      THR  16  -3.946  -2.401   3.790
  102   HG22  THR  16          1HG2      THR  16  -2.365  -2.310   3.017
  103   HG23  THR  16          2HG2      THR  16  -3.825  -2.378   2.031
  104    H    CYS  17           HN       CYS  17  -1.149   1.216   2.410
  105    HA   CYS  17           HA       CYS  17   0.630   0.154   0.387
  106    HB2  CYS  17           HB2      CYS  17   1.802   1.612   2.665
  107    HB3  CYS  17           HB1      CYS  17   2.030   1.851   0.936
  108    H    CYS  18           HN       CYS  18   0.950  -1.998   0.710
  109    HA   CYS  18           HA       CYS  18   2.037  -2.797   3.329
  110    HG   CYS  18           HG       CYS  18  -1.055  -4.773   4.026
  111    HB2  CYS  18           HB2      CYS  18  -0.110  -3.900   1.807
  112    HB3  CYS  18           HB1      CYS  18   1.194  -5.083   1.853
  113    H    VAL  19           HN       VAL  19   3.391  -4.892   3.090
  114    HA   VAL  19           HA       VAL  19   5.389  -4.366   1.008
  115    HB   VAL  19           HB       VAL  19   5.802  -6.245   3.314
  116   HG11  VAL  19          1HG1      VAL  19   7.518  -4.735   1.396
  117   HG12  VAL  19          2HG1      VAL  19   7.595  -6.428   1.884
  118   HG13  VAL  19          3HG1      VAL  19   8.158  -5.168   2.982
  119   HG21  VAL  19          3HG2      VAL  19   5.441  -3.351   3.442
  120   HG22  VAL  19          1HG2      VAL  19   6.970  -3.901   4.127
  121   HG23  VAL  19          2HG2      VAL  19   5.447  -4.551   4.734
  122    H    MET  20           HN       MET  20   6.316  -6.092  -0.190
  123    HA   MET  20           HA       MET  20   4.440  -8.301  -0.630
  124    HB2  MET  20           HB2      MET  20   6.756  -7.590  -2.414
  125    HB3  MET  20           HB1      MET  20   5.300  -8.486  -2.820
  126    HG2  MET  20           HG2      MET  20   5.541  -5.538  -2.281
  127    HG3  MET  20           HG1      MET  20   5.165  -6.324  -3.814
  128    HE1  MET  20           HE1      MET  20   1.690  -7.183  -3.879
  129    HE2  MET  20           HE2      MET  20   2.464  -8.451  -2.927
  130    HE3  MET  20           HE3      MET  20   3.330  -7.703  -4.271
  131    H    VAL  21           HN       VAL  21   5.637 -10.348  -1.508
  132    HA   VAL  21           HA       VAL  21   7.229 -11.332   0.649
  133    HB   VAL  21           HB       VAL  21   7.127 -12.868  -1.891
  134   HG11  VAL  21          1HG1      VAL  21   6.920 -13.424   1.043
  135   HG12  VAL  21          2HG1      VAL  21   8.076 -14.049  -0.133
  136   HG13  VAL  21          3HG1      VAL  21   6.409 -14.627  -0.142
  137   HG21  VAL  21          3HG2      VAL  21   4.919 -11.920  -1.931
  138   HG22  VAL  21          1HG2      VAL  21   4.680 -12.292  -0.224
  139   HG23  VAL  21          2HG2      VAL  21   4.799 -13.598  -1.402
  140    H    ASP  22           HN       ASP  22   7.891  -9.989  -2.479
  141    HA   ASP  22           HA       ASP  22  10.529 -11.004  -2.780
  142    HB2  ASP  22           HB2      ASP  22   9.241  -8.551  -3.997
  143    HB3  ASP  22           HB1      ASP  22  10.761  -9.268  -4.522
  144    H    GLY  23           HN       GLY  23   9.151  -8.233  -1.156
  145    HA2  GLY  23           HA2      GLY  23  10.570  -7.504   0.780
  146    HA3  GLY  23           HA1      GLY  23  11.877  -7.388  -0.389
  147    H    SER  24           HN       SER  24  10.030  -6.313  -2.452
  148    HA   SER  24           HA       SER  24  10.366  -3.550  -1.827
  149    HG   SER  24           HG       SER  24   7.843  -4.566  -4.503
  150    HB2  SER  24           HB2      SER  24   9.332  -3.146  -4.020
  151    HB3  SER  24           HB1      SER  24  10.570  -4.397  -4.130
  152    H    TRP  25           HN       TRP  25   8.414  -2.033  -2.347
  153    HA   TRP  25           HA       TRP  25   6.246  -2.853  -0.551
  154    HD1  TRP  25           HD1      TRP  25   9.372  -0.677   0.307
  155    HE1  TRP  25           HE1      TRP  25   9.487  -0.648   2.878
  156    HE3  TRP  25           HE3      TRP  25   4.368  -0.827   1.346
  157    HZ2  TRP  25           HZ2      TRP  25   7.694  -0.683   5.057
  158    HZ3  TRP  25           HZ3      TRP  25   3.652  -0.827   3.699
  159    HH2  TRP  25           HH2      TRP  25   5.283  -0.757   5.516
  160    HB2  TRP  25           HB2      TRP  25   7.363  -0.200  -1.392
  161    HB3  TRP  25           HB1      TRP  25   5.723  -0.298  -0.760
  162    H    GLY  26           HN       GLY  26   4.035  -2.070  -1.092
  163    HA2  GLY  26           HA2      GLY  26   3.316  -1.302  -3.710
  164    HA3  GLY  26           HA1      GLY  26   3.190  -3.049  -3.575
  165    H    CYS  27           HN       CYS  27   0.970  -1.562  -4.153
  166    HA   CYS  27           HA       CYS  27  -0.506  -1.199  -1.663
  167    HB2  CYS  27           HB2      CYS  27  -1.382  -0.705  -4.514
  168    HB3  CYS  27           HB1      CYS  27  -2.262  -0.238  -3.064
  169    H    CYS  28           HN       CYS  28  -1.926  -2.618  -0.884
  170    HA   CYS  28           HA       CYS  28  -2.865  -4.780  -2.648
  171    HG   CYS  28           HG       CYS  28  -0.266  -5.984  -2.432
  172    HB2  CYS  28           HB2      CYS  28  -1.454  -4.939  -0.061
  173    HB3  CYS  28           HB1      CYS  28  -2.865  -5.982  -0.207
  174    HA   PRO  29           HA       PRO  29  -6.920  -3.453  -1.452
  175    HB2  PRO  29           HB2      PRO  29  -8.216  -5.866  -1.785
  176    HB3  PRO  29           HB1      PRO  29  -7.854  -4.734  -3.091
  177    HG2  PRO  29           HG2      PRO  29  -6.373  -7.192  -2.248
  178    HG3  PRO  29           HG1      PRO  29  -6.733  -6.604  -3.883
  179    HD2  PRO  29           HD2      PRO  29  -4.308  -6.286  -2.790
  180    HD3  PRO  29           HD1      PRO  29  -5.024  -5.034  -3.829
  181    H    MET  30           HN       MET  30  -8.080  -3.362   0.395
  182    HA   MET  30           HA       MET  30  -7.227  -5.092   2.593
  183    HB2  MET  30           HB2      MET  30  -7.951  -2.333   2.361
  184    HB3  MET  30           HB1      MET  30  -9.056  -3.111   3.486
  185    HG2  MET  30           HG2      MET  30  -6.806  -4.093   4.460
  186    HG3  MET  30           HG1      MET  30  -6.134  -2.651   3.702
  187    HE1  MET  30           HE1      MET  30  -6.715  -0.502   3.985
  188    HE2  MET  30           HE2      MET  30  -6.207  -0.154   5.638
  189    HE3  MET  30           HE3      MET  30  -7.851   0.223   5.123
  190    HA   PRO  31           HA       PRO  31 -10.828  -7.642   2.622
  191    HB2  PRO  31           HB2      PRO  31 -10.822  -7.186   5.567
  192    HB3  PRO  31           HB1      PRO  31 -10.856  -8.705   4.663
  193    HG2  PRO  31           HG2      PRO  31  -8.619  -7.891   5.848
  194    HG3  PRO  31           HG1      PRO  31  -8.571  -8.662   4.252
  195    HD2  PRO  31           HD2      PRO  31  -8.286  -5.779   4.973
  196    HD3  PRO  31           HD1      PRO  31  -7.462  -6.714   3.710
  197    H    GLN  32           HN       GLN  32 -12.420  -6.409   1.687
  198    HA   GLN  32           HA       GLN  32 -14.278  -5.114   1.507
  199    HB2  GLN  32           HB2      GLN  32 -14.703  -6.799   3.583
  200    HB3  GLN  32           HB1      GLN  32 -14.910  -5.252   4.391
  201    HG2  GLN  32           HG2      GLN  32 -17.052  -5.748   3.717
  202    HG3  GLN  32           HG1      GLN  32 -16.484  -4.702   2.417
  203   HE21  GLN  32          1HE2      GLN  32 -15.832  -8.118   3.060
  204   HE22  GLN  32          2HE2      GLN  32 -16.475  -8.703   1.568
  Start of MODEL    3
    1    H    ALA   1           HT1      ALA   1  -6.572   8.562  -0.919
    2    HA   ALA   1           HA       ALA   1  -5.473  10.163   0.536
    3    HB1  ALA   1           HB1      ALA   1  -4.768   9.541   2.543
    4    HB2  ALA   1           HB2      ALA   1  -3.612   8.434   1.803
    5    HB3  ALA   1           HB3      ALA   1  -5.239   7.877   2.194
    6    H    ILE   2           HN       ILE   2  -2.869  10.271   0.621
    7    HA   ILE   2           HA       ILE   2  -1.767   8.906  -1.724
    8    HB   ILE   2           HB       ILE   2  -0.735  11.529  -1.829
    9   HG12  ILE   2          2HG1      ILE   2  -3.173  12.478  -2.510
   10   HG13  ILE   2          1HG1      ILE   2  -3.623  11.436  -1.164
   11   HG21  ILE   2          1HG2      ILE   2  -2.717  10.145  -3.630
   12   HG22  ILE   2          2HG2      ILE   2  -0.963   9.966  -3.691
   13   HG23  ILE   2          3HG2      ILE   2  -1.703  11.522  -4.064
   14   HD11  ILE   2          3HD1      ILE   2  -1.376  12.907  -0.330
   15   HD12  ILE   2          1HD1      ILE   2  -3.044  13.053   0.223
   16   HD13  ILE   2          2HD1      ILE   2  -2.473  14.041  -1.121
   17    H    GLN   3           HN       GLN   3  -0.923   7.894   0.405
   18    HA   GLN   3           HA       GLN   3   1.806   8.663   0.667
   19    HB2  GLN   3           HB2      GLN   3   0.050   9.980   2.397
   20    HB3  GLN   3           HB1      GLN   3   0.765   8.703   3.372
   21    HG2  GLN   3           HG2      GLN   3   3.008   9.506   2.657
   22    HG3  GLN   3           HG1      GLN   3   2.213  10.861   1.858
   23   HE21  GLN   3          1HE2      GLN   3   4.030  10.391   4.325
   24   HE22  GLN   3          2HE2      GLN   3   3.301  11.388   5.531
   25    H    CYS   4           HN       CYS   4   2.673   7.388   2.803
   26    HA   CYS   4           HA       CYS   4   1.357   4.911   3.339
   27    HB2  CYS   4           HB2      CYS   4   3.351   5.057   1.167
   28    HB3  CYS   4           HB1      CYS   4   3.610   3.760   2.331
   29    HA   PRO   5           HA       PRO   5   3.686   4.899   7.072
   30    HB2  PRO   5           HB2      PRO   5   4.606   2.171   6.252
   31    HB3  PRO   5           HB1      PRO   5   3.960   2.720   7.803
   32    HG2  PRO   5           HG2      PRO   5   2.430   1.361   6.099
   33    HG3  PRO   5           HG1      PRO   5   1.768   2.704   7.048
   34    HD2  PRO   5           HD2      PRO   5   2.437   2.580   4.157
   35    HD3  PRO   5           HD1      PRO   5   1.208   3.547   4.994
   36    H    ASP   6           HN       ASP   6   5.673   2.819   4.974
   37    HA   ASP   6           HA       ASP   6   7.807   4.833   5.066
   38    HB2  ASP   6           HB2      ASP   6   8.402   1.909   5.480
   39    HB3  ASP   6           HB1      ASP   6   9.451   3.294   5.774
   40    H    SER   7           HN       SER   7   6.044   4.247   2.933
   41    HA   SER   7           HA       SER   7   7.839   2.907   1.020
   42    HG   SER   7           HG       SER   7   5.627   3.227  -1.192
   43    HB2  SER   7           HB2      SER   7   6.049   1.722   0.383
   44    HB3  SER   7           HB1      SER   7   5.024   2.619   1.504
   45    H    GLN   8           HN       GLN   8   7.561   3.764  -1.275
   46    HA   GLN   8           HA       GLN   8   7.732   6.686  -1.154
   47    HB2  GLN   8           HB2      GLN   8   8.890   6.492  -3.334
   48    HB3  GLN   8           HB1      GLN   8   9.690   5.586  -2.056
   49    HG2  GLN   8           HG2      GLN   8   7.804   3.897  -3.382
   50    HG3  GLN   8           HG1      GLN   8   8.853   4.666  -4.572
   51   HE21  GLN   8          1HE2      GLN   8   8.677   2.484  -1.885
   52   HE22  GLN   8          2HE2      GLN   8  10.268   1.830  -2.044
   53    H    PHE   9           HN       PHE   9   5.704   4.183  -2.261
   54    HA   PHE   9           HA       PHE   9   4.472   5.734  -4.373
   55    HD1  PHE   9           HD1      PHE   9   5.712   3.819  -5.975
   56    HD2  PHE   9           HD2      PHE   9   4.546   1.534  -2.579
   57    HE1  PHE   9           HE1      PHE   9   7.592   2.282  -6.367
   58    HE2  PHE   9           HE2      PHE   9   6.425  -0.006  -2.965
   59    HZ   PHE   9           HZ       PHE   9   7.951   0.366  -4.860
   60    HB2  PHE   9           HB2      PHE   9   3.203   3.264  -3.277
   61    HB3  PHE   9           HB1      PHE   9   3.310   3.823  -4.941
   62    H    GLU  10           HN       GLU  10   1.864   5.461  -4.218
   63    HA   GLU  10           HA       GLU  10   0.876   6.146  -1.581
   64    HB2  GLU  10           HB2      GLU  10  -0.259   8.225  -2.826
   65    HB3  GLU  10           HB1      GLU  10   1.274   8.352  -1.975
   66    HG2  GLU  10           HG2      GLU  10   1.454   7.562  -4.803
   67    HG3  GLU  10           HG1      GLU  10   0.864   9.194  -4.497
   68    H    CYS  11           HN       CYS  11  -0.933   5.032  -1.360
   69    HA   CYS  11           HA       CYS  11  -2.607   4.568  -3.740
   70    HB2  CYS  11           HB2      CYS  11  -1.518   2.734  -1.900
   71    HB3  CYS  11           HB1      CYS  11  -3.241   2.811  -1.542
   72    HA   PRO  12           HA       PRO  12  -5.864   6.711  -1.645
   73    HB2  PRO  12           HB2      PRO  12  -8.017   5.836  -2.954
   74    HB3  PRO  12           HB1      PRO  12  -6.762   6.764  -3.786
   75    HG2  PRO  12           HG2      PRO  12  -7.240   3.809  -3.775
   76    HG3  PRO  12           HG1      PRO  12  -6.810   4.869  -5.130
   77    HD2  PRO  12           HD2      PRO  12  -5.013   3.309  -3.727
   78    HD3  PRO  12           HD1      PRO  12  -4.580   4.758  -4.654
   79    H    ASP  13           HN       ASP  13  -8.184   6.265  -0.740
   80    HA   ASP  13           HA       ASP  13  -7.929   4.508   1.437
   81    HB2  ASP  13           HB2      ASP  13  -9.641   6.567   0.732
   82    HB3  ASP  13           HB1      ASP  13 -10.694   5.155   0.752
   83    H    PHE  14           HN       PHE  14  -8.872   3.932  -1.788
   84    HA   PHE  14           HA       PHE  14 -10.686   1.818  -1.488
   85    HD1  PHE  14           HD2      PHE  14 -12.364   2.015  -3.262
   86    HD2  PHE  14           HD1      PHE  14  -9.125   4.421  -4.616
   87    HE1  PHE  14           HE2      PHE  14 -13.963   3.669  -4.134
   88    HE2  PHE  14           HE1      PHE  14 -10.719   6.080  -5.490
   89    HZ   PHE  14           HZ       PHE  14 -13.140   5.705  -5.251
   90    HB2  PHE  14           HB2      PHE  14  -8.674   2.385  -3.673
   91    HB3  PHE  14           HB1      PHE  14  -9.909   1.136  -3.779
   92    H    SER  15           HN       SER  15  -7.166   1.893  -1.459
   93    HA   SER  15           HA       SER  15  -7.183  -0.892  -0.514
   94    HG   SER  15           HG       SER  15  -6.133  -0.920  -3.973
   95    HB2  SER  15           HB2      SER  15  -5.157   0.285  -2.429
   96    HB3  SER  15           HB1      SER  15  -5.158  -1.360  -1.797
   97    H    THR  16           HN       THR  16  -4.647  -1.314   0.143
   98    HA   THR  16           HA       THR  16  -3.836   0.933   1.858
   99    HB   THR  16           HB       THR  16  -5.010  -0.583   3.318
  100    HG1  THR  16           HG1      THR  16  -3.405  -0.066   4.601
  101   HG21  THR  16          3HG2      THR  16  -3.162  -2.850   2.885
  102   HG22  THR  16          1HG2      THR  16  -4.360  -2.565   1.622
  103   HG23  THR  16          2HG2      THR  16  -4.880  -2.847   3.283
  104    H    CYS  17           HN       CYS  17  -1.593   0.414   2.861
  105    HA   CYS  17           HA       CYS  17   0.184  -0.157   0.647
  106    HB2  CYS  17           HB2      CYS  17   0.288   1.610   2.743
  107    HB3  CYS  17           HB1      CYS  17   1.389   0.347   3.282
  108    H    CYS  18           HN       CYS  18   0.621  -2.225   0.226
  109    HA   CYS  18           HA       CYS  18   0.937  -4.105   2.458
  110    HG   CYS  18           HG       CYS  18   0.025  -7.388   0.597
  111    HB2  CYS  18           HB2      CYS  18  -0.486  -4.366   0.135
  112    HB3  CYS  18           HB1      CYS  18   1.019  -5.178  -0.279
  113    H    VAL  19           HN       VAL  19   2.700  -5.635   2.410
  114    HA   VAL  19           HA       VAL  19   5.064  -4.639   0.956
  115    HB   VAL  19           HB       VAL  19   5.398  -6.004   3.591
  116   HG11  VAL  19          1HG1      VAL  19   7.162  -5.102   1.782
  117   HG12  VAL  19          2HG1      VAL  19   7.499  -5.177   3.511
  118   HG13  VAL  19          3HG1      VAL  19   6.991  -3.656   2.777
  119   HG21  VAL  19          3HG2      VAL  19   5.165  -3.040   3.589
  120   HG22  VAL  19          1HG2      VAL  19   4.890  -4.194   4.892
  121   HG23  VAL  19          2HG2      VAL  19   3.681  -3.993   3.623
  122    H    MET  20           HN       MET  20   5.815  -6.090  -0.429
  123    HA   MET  20           HA       MET  20   5.028  -8.865  -0.238
  124    HB2  MET  20           HB2      MET  20   6.958  -7.760  -2.260
  125    HB3  MET  20           HB1      MET  20   5.851  -9.116  -2.425
  126    HG2  MET  20           HG2      MET  20   4.934  -6.270  -2.125
  127    HG3  MET  20           HG1      MET  20   5.237  -7.035  -3.684
  128    HE1  MET  20           HE1      MET  20   1.681  -6.262  -3.272
  129    HE2  MET  20           HE2      MET  20   2.000  -7.402  -4.580
  130    HE3  MET  20           HE3      MET  20   3.164  -6.128  -4.218
  131    H    VAL  21           HN       VAL  21   6.501 -10.638  -0.220
  132    HA   VAL  21           HA       VAL  21   8.636 -10.307   1.637
  133    HB   VAL  21           HB       VAL  21   8.317 -12.779  -0.031
  134   HG11  VAL  21          1HG1      VAL  21  10.059 -13.094   1.433
  135   HG12  VAL  21          2HG1      VAL  21   8.709 -13.701   2.392
  136   HG13  VAL  21          3HG1      VAL  21   9.338 -12.079   2.681
  137   HG21  VAL  21          3HG2      VAL  21   6.084 -12.564   0.479
  138   HG22  VAL  21          1HG2      VAL  21   6.399 -11.695   1.982
  139   HG23  VAL  21          2HG2      VAL  21   6.669 -13.436   1.896
  140    H    ASP  22           HN       ASP  22   8.461  -9.732  -1.634
  141    HA   ASP  22           HA       ASP  22  10.951 -10.720  -2.545
  142    HB2  ASP  22           HB2      ASP  22   9.234  -8.436  -3.541
  143    HB3  ASP  22           HB1      ASP  22  10.653  -9.045  -4.389
  144    H    GLY  23           HN       GLY  23  10.120  -8.128  -0.494
  145    HA2  GLY  23           HA2      GLY  23  11.840  -7.062   0.803
  146    HA3  GLY  23           HA1      GLY  23  12.906  -7.179  -0.588
  147    H    SER  24           HN       SER  24   9.928  -6.275  -1.703
  148    HA   SER  24           HA       SER  24  10.651  -3.421  -1.581
  149    HG   SER  24           HG       SER  24  11.438  -4.974  -4.304
  150    HB2  SER  24           HB2      SER  24   8.853  -4.183  -3.759
  151    HB3  SER  24           HB1      SER  24  10.342  -3.237  -3.806
  152    H    TRP  25           HN       TRP  25   8.580  -2.062  -2.235
  153    HA   TRP  25           HA       TRP  25   6.446  -2.925  -0.401
  154    HD1  TRP  25           HD1      TRP  25   9.414  -1.091   0.771
  155    HE1  TRP  25           HE1      TRP  25   9.290  -1.004   3.340
  156    HE3  TRP  25           HE3      TRP  25   4.367  -0.491   1.319
  157    HZ2  TRP  25           HZ2      TRP  25   7.312  -0.720   5.336
  158    HZ3  TRP  25           HZ3      TRP  25   3.438  -0.321   3.591
  159    HH2  TRP  25           HH2      TRP  25   4.883  -0.434   5.558
  160    HB2  TRP  25           HB2      TRP  25   7.590  -0.257  -1.104
  161    HB3  TRP  25           HB1      TRP  25   5.897  -0.345  -0.628
  162    H    GLY  26           HN       GLY  26   4.230  -2.210  -0.962
  163    HA2  GLY  26           HA2      GLY  26   3.628  -1.494  -3.670
  164    HA3  GLY  26           HA1      GLY  26   3.343  -3.201  -3.363
  165    H    CYS  27           HN       CYS  27   1.142  -2.241  -4.061
  166    HA   CYS  27           HA       CYS  27  -0.315  -1.477  -1.616
  167    HB2  CYS  27           HB2      CYS  27  -0.255   0.397  -3.190
  168    HB3  CYS  27           HB1      CYS  27  -0.905  -0.633  -4.461
  169    H    CYS  28           HN       CYS  28  -2.252  -2.502  -1.201
  170    HA   CYS  28           HA       CYS  28  -3.303  -4.398  -3.145
  171    HG   CYS  28           HG       CYS  28  -1.231  -6.506  -3.324
  172    HB2  CYS  28           HB2      CYS  28  -1.642  -5.210  -0.958
  173    HB3  CYS  28           HB1      CYS  28  -3.276  -5.803  -0.681
  174    HA   PRO  29           HA       PRO  29  -7.064  -2.682  -1.483
  175    HB2  PRO  29           HB2      PRO  29  -8.305  -5.100  -2.660
  176    HB3  PRO  29           HB1      PRO  29  -8.660  -3.395  -2.957
  177    HG2  PRO  29           HG2      PRO  29  -7.375  -4.867  -4.774
  178    HG3  PRO  29           HG1      PRO  29  -6.946  -3.169  -4.496
  179    HD2  PRO  29           HD2      PRO  29  -5.558  -5.653  -3.565
  180    HD3  PRO  29           HD1      PRO  29  -4.865  -4.134  -4.173
  181    H    MET  30           HN       MET  30  -8.347  -2.999   0.286
  182    HA   MET  30           HA       MET  30  -7.595  -5.047   2.122
  183    HB2  MET  30           HB2      MET  30  -9.616  -2.830   2.144
  184    HB3  MET  30           HB1      MET  30  -9.631  -4.052   3.409
  185    HG2  MET  30           HG2      MET  30  -7.256  -2.342   2.710
  186    HG3  MET  30           HG1      MET  30  -8.392  -2.006   4.015
  187    HE1  MET  30           HE1      MET  30  -7.200  -2.134   6.169
  188    HE2  MET  30           HE2      MET  30  -5.736  -1.929   5.206
  189    HE3  MET  30           HE3      MET  30  -5.792  -3.150   6.477
  190    HA   PRO  31           HA       PRO  31 -10.533  -8.082   0.681
  191    HB2  PRO  31           HB2      PRO  31 -10.129  -9.938   2.595
  192    HB3  PRO  31           HB1      PRO  31  -8.945  -9.633   1.317
  193    HG2  PRO  31           HG2      PRO  31  -8.974  -8.643   4.145
  194    HG3  PRO  31           HG1      PRO  31  -7.622  -9.306   3.208
  195    HD2  PRO  31           HD2      PRO  31  -7.996  -6.640   3.565
  196    HD3  PRO  31           HD1      PRO  31  -7.249  -7.320   2.105
  197    H    GLN  32           HN       GLN  32 -12.405  -9.309   1.568
  198    HA   GLN  32           HA       GLN  32 -13.538  -8.565   4.078
  199    HB2  GLN  32           HB2      GLN  32 -15.603  -7.506   2.953
  200    HB3  GLN  32           HB1      GLN  32 -14.166  -6.514   3.155
  201    HG2  GLN  32           HG2      GLN  32 -14.087  -6.124   0.984
  202    HG3  GLN  32           HG1      GLN  32 -14.014  -7.852   0.644
  203   HE21  GLN  32          1HE2      GLN  32 -15.964  -5.032   0.686
  204   HE22  GLN  32          2HE2      GLN  32 -17.397  -5.741   0.030
  Start of MODEL    4
    1    H    ALA   1           HT1      ALA   1  -6.591   9.567  -2.358
    2    HA   ALA   1           HA       ALA   1  -3.925   8.501  -2.840
    3    HB1  ALA   1           HB1      ALA   1  -4.984  10.509  -3.974
    4    HB2  ALA   1           HB2      ALA   1  -3.377  10.747  -3.285
    5    HB3  ALA   1           HB3      ALA   1  -4.800  11.347  -2.432
    6    H    ILE   2           HN       ILE   2  -4.100   7.383  -0.637
    7    HA   ILE   2           HA       ILE   2  -3.722   9.144   1.642
    8    HB   ILE   2           HB       ILE   2  -3.245   6.229   1.921
    9   HG12  ILE   2          2HG1      ILE   2  -6.090   7.154   1.804
   10   HG13  ILE   2          1HG1      ILE   2  -5.271   6.721   0.307
   11   HG21  ILE   2          1HG2      ILE   2  -3.551   6.756   4.053
   12   HG22  ILE   2          2HG2      ILE   2  -5.177   7.344   3.702
   13   HG23  ILE   2          3HG2      ILE   2  -3.799   8.437   3.582
   14   HD11  ILE   2          3HD1      ILE   2  -5.101   4.504   0.888
   15   HD12  ILE   2          1HD1      ILE   2  -6.655   4.949   1.594
   16   HD13  ILE   2          2HD1      ILE   2  -5.222   4.837   2.615
   17    H    GLN   3           HN       GLN   3  -1.830   9.512   2.700
   18    HA   GLN   3           HA       GLN   3   0.605   8.632   1.332
   19    HB2  GLN   3           HB2      GLN   3   1.682  10.413   2.792
   20    HB3  GLN   3           HB1      GLN   3   0.558  10.981   1.565
   21    HG2  GLN   3           HG2      GLN   3  -1.201  11.042   3.355
   22    HG3  GLN   3           HG1      GLN   3   0.085  10.736   4.521
   23   HE21  GLN   3          1HE2      GLN   3  -1.044  12.883   5.163
   24   HE22  GLN   3          2HE2      GLN   3  -0.257  14.315   4.603
   25    H    CYS   4           HN       CYS   4   1.547   6.872   2.099
   26    HA   CYS   4           HA       CYS   4   1.078   5.894   4.749
   27    HB2  CYS   4           HB2      CYS   4   2.111   4.860   2.302
   28    HB3  CYS   4           HB1      CYS   4   3.320   4.593   3.554
   29    HA   PRO   5           HA       PRO   5   4.328   7.872   6.986
   30    HB2  PRO   5           HB2      PRO   5   5.135   5.816   8.625
   31    HB3  PRO   5           HB1      PRO   5   3.704   6.811   8.911
   32    HG2  PRO   5           HG2      PRO   5   3.910   4.094   7.678
   33    HG3  PRO   5           HG1      PRO   5   2.709   4.717   8.825
   34    HD2  PRO   5           HD2      PRO   5   2.169   4.491   6.204
   35    HD3  PRO   5           HD1      PRO   5   1.525   5.830   7.174
   36    H    ASP   6           HN       ASP   6   4.910   4.852   5.340
   37    HA   ASP   6           HA       ASP   6   7.763   5.557   5.116
   38    HB2  ASP   6           HB2      ASP   6   6.473   3.045   5.865
   39    HB3  ASP   6           HB1      ASP   6   7.615   2.851   4.539
   40    H    SER   7           HN       SER   7   8.302   3.515   3.176
   41    HA   SER   7           HA       SER   7   8.366   3.218   0.924
   42    HG   SER   7           HG       SER   7   4.806   3.927  -0.445
   43    HB2  SER   7           HB2      SER   7   6.385   2.517   0.138
   44    HB3  SER   7           HB1      SER   7   5.668   3.083   1.646
   45    H    GLN   8           HN       GLN   8   7.829   4.404  -1.263
   46    HA   GLN   8           HA       GLN   8   8.578   7.216  -0.855
   47    HB2  GLN   8           HB2      GLN   8   8.896   5.542  -3.351
   48    HB3  GLN   8           HB1      GLN   8   9.556   7.148  -3.069
   49    HG2  GLN   8           HG2      GLN   8  11.418   6.094  -2.472
   50    HG3  GLN   8           HG1      GLN   8  10.574   5.721  -0.970
   51   HE21  GLN   8          1HE2      GLN   8  11.478   4.512  -4.123
   52   HE22  GLN   8          2HE2      GLN   8  11.279   2.836  -3.752
   53    H    PHE   9           HN       PHE   9   6.590   5.180  -2.999
   54    HA   PHE   9           HA       PHE   9   5.140   7.492  -3.964
   55    HD1  PHE   9           HD2      PHE   9   3.014   3.866  -3.772
   56    HD2  PHE   9           HD1      PHE   9   6.997   4.022  -5.261
   57    HE1  PHE   9           HE2      PHE   9   3.285   1.469  -3.286
   58    HE2  PHE   9           HE1      PHE   9   7.275   1.625  -4.780
   59    HZ   PHE   9           HZ       PHE   9   5.418   0.346  -3.789
   60    HB2  PHE   9           HB2      PHE   9   3.818   5.718  -5.223
   61    HB3  PHE   9           HB1      PHE   9   5.530   5.837  -5.613
   62    H    GLU  10           HN       GLU  10   2.610   6.944  -4.179
   63    HA   GLU  10           HA       GLU  10   1.689   6.614  -1.410
   64    HB2  GLU  10           HB2      GLU  10   0.071   7.784  -3.661
   65    HB3  GLU  10           HB1      GLU  10  -0.153   7.994  -1.930
   66    HG2  GLU  10           HG2      GLU  10   2.172   9.068  -3.510
   67    HG3  GLU  10           HG1      GLU  10   0.746   9.993  -3.043
   68    H    CYS  11           HN       CYS  11  -0.804   5.932  -1.471
   69    HA   CYS  11           HA       CYS  11  -0.894   3.415  -2.996
   70    HB2  CYS  11           HB2      CYS  11  -1.457   4.063  -0.207
   71    HB3  CYS  11           HB1      CYS  11  -2.776   3.190  -0.979
   72    HA   PRO  12           HA       PRO  12  -4.487   5.299  -4.886
   73    HB2  PRO  12           HB2      PRO  12  -4.849   3.514  -6.836
   74    HB3  PRO  12           HB1      PRO  12  -3.459   4.607  -6.847
   75    HG2  PRO  12           HG2      PRO  12  -3.599   1.723  -6.088
   76    HG3  PRO  12           HG1      PRO  12  -2.330   2.591  -6.969
   77    HD2  PRO  12           HD2      PRO  12  -2.268   1.956  -4.259
   78    HD3  PRO  12           HD1      PRO  12  -1.272   3.195  -5.046
   79    H    ASP  13           HN       ASP  13  -6.728   4.822  -5.188
   80    HA   ASP  13           HA       ASP  13  -8.741   4.013  -4.517
   81    HB2  ASP  13           HB2      ASP  13  -7.172   1.474  -4.897
   82    HB3  ASP  13           HB1      ASP  13  -8.860   1.442  -4.398
   83    H    PHE  14           HN       PHE  14  -9.447   1.859  -2.872
   84    HA   PHE  14           HA       PHE  14  -8.595   2.914  -0.284
   85    HD1  PHE  14           HD2      PHE  14 -10.341  -0.543  -1.615
   86    HD2  PHE  14           HD1      PHE  14 -12.506   3.119  -1.725
   87    HE1  PHE  14           HE2      PHE  14 -11.747  -1.433  -3.428
   88    HE2  PHE  14           HE1      PHE  14 -13.915   2.235  -3.537
   89    HZ   PHE  14           HZ       PHE  14 -13.537  -0.043  -4.392
   90    HB2  PHE  14           HB2      PHE  14 -10.542   1.209   0.398
   91    HB3  PHE  14           HB1      PHE  14 -10.872   2.850  -0.145
   92    H    SER  15           HN       SER  15  -6.487   1.834  -0.551
   93    HA   SER  15           HA       SER  15  -6.597  -0.836   0.623
   94    HG   SER  15           HG       SER  15  -5.648   0.901  -2.050
   95    HB2  SER  15           HB2      SER  15  -4.500  -1.224  -1.037
   96    HB3  SER  15           HB1      SER  15  -6.150  -1.704  -1.435
   97    H    THR  16           HN       THR  16  -4.806  -1.373   1.888
   98    HA   THR  16           HA       THR  16  -3.257   0.924   2.777
   99    HB   THR  16           HB       THR  16  -4.386  -0.618   4.412
  100    HG1  THR  16           HG1      THR  16  -2.845   0.519   5.399
  101   HG21  THR  16          3HG2      THR  16  -2.470  -2.529   3.168
  102   HG22  THR  16          1HG2      THR  16  -4.110  -2.798   3.762
  103   HG23  THR  16          2HG2      THR  16  -2.771  -2.660   4.901
  104    H    CYS  17           HN       CYS  17  -0.914   0.528   3.343
  105    HA   CYS  17           HA       CYS  17   0.422  -0.493   0.988
  106    HB2  CYS  17           HB2      CYS  17   1.819   0.607   3.410
  107    HB3  CYS  17           HB1      CYS  17   2.323   0.664   1.724
  108    H    CYS  18           HN       CYS  18   0.779  -2.603   0.862
  109    HA   CYS  18           HA       CYS  18   1.506  -4.076   3.296
  110    HG   CYS  18           HG       CYS  18   1.522  -4.777  -0.636
  111    HB2  CYS  18           HB2      CYS  18   0.567  -5.973   2.382
  112    HB3  CYS  18           HB1      CYS  18  -0.444  -4.732   1.648
  113    H    VAL  19           HN       VAL  19   3.198  -5.664   3.186
  114    HA   VAL  19           HA       VAL  19   5.413  -4.766   1.502
  115    HB   VAL  19           HB       VAL  19   5.580  -6.811   3.706
  116   HG11  VAL  19          1HG1      VAL  19   7.792  -6.725   3.402
  117   HG12  VAL  19          2HG1      VAL  19   7.796  -4.966   3.275
  118   HG13  VAL  19          3HG1      VAL  19   7.424  -5.952   1.861
  119   HG21  VAL  19          3HG2      VAL  19   5.967  -3.840   4.036
  120   HG22  VAL  19          1HG2      VAL  19   6.050  -5.080   5.288
  121   HG23  VAL  19          2HG2      VAL  19   4.507  -4.706   4.519
  122    H    MET  20           HN       MET  20   5.629  -5.760  -0.390
  123    HA   MET  20           HA       MET  20   4.498  -8.288  -0.990
  124    HB2  MET  20           HB2      MET  20   6.596  -6.712  -2.491
  125    HB3  MET  20           HB1      MET  20   5.694  -8.079  -3.133
  126    HG2  MET  20           HG2      MET  20   3.771  -6.288  -2.181
  127    HG3  MET  20           HG1      MET  20   4.971  -5.307  -3.018
  128    HE1  MET  20           HE1      MET  20   4.292  -4.886  -5.864
  129    HE2  MET  20           HE2      MET  20   5.006  -6.350  -6.539
  130    HE3  MET  20           HE3      MET  20   5.770  -5.547  -5.166
  131    H    VAL  21           HN       VAL  21   5.364 -10.297  -1.052
  132    HA   VAL  21           HA       VAL  21   7.610 -10.878   0.558
  133    HB   VAL  21           HB       VAL  21   7.382 -13.195  -0.650
  134   HG11  VAL  21          1HG1      VAL  21   6.657 -13.439   1.455
  135   HG12  VAL  21          2HG1      VAL  21   5.044 -13.300   0.757
  136   HG13  VAL  21          3HG1      VAL  21   5.829 -11.882   1.451
  137   HG21  VAL  21          3HG2      VAL  21   6.058 -12.701  -2.509
  138   HG22  VAL  21          1HG2      VAL  21   4.957 -11.691  -1.574
  139   HG23  VAL  21          2HG2      VAL  21   4.931 -13.443  -1.374
  140    H    ASP  22           HN       ASP  22   7.327  -9.995  -2.727
  141    HA   ASP  22           HA       ASP  22   9.718 -11.273  -3.663
  142    HB2  ASP  22           HB2      ASP  22   8.078  -9.016  -4.836
  143    HB3  ASP  22           HB1      ASP  22   9.418  -9.809  -5.657
  144    H    GLY  23           HN       GLY  23   9.352  -8.938  -1.450
  145    HA2  GLY  23           HA2      GLY  23  10.984  -7.618  -0.458
  146    HA3  GLY  23           HA1      GLY  23  12.056  -7.988  -1.800
  147    H    SER  24           HN       SER  24   8.855  -6.433  -1.615
  148    HA   SER  24           HA       SER  24   9.989  -3.901  -2.459
  149    HG   SER  24           HG       SER  24   8.796  -6.537  -4.681
  150    HB2  SER  24           HB2      SER  24   7.736  -4.768  -4.179
  151    HB3  SER  24           HB1      SER  24   9.149  -3.790  -4.576
  152    H    TRP  25           HN       TRP  25   7.988  -2.351  -2.949
  153    HA   TRP  25           HA       TRP  25   6.182  -2.675  -0.651
  154    HD1  TRP  25           HD1      TRP  25   9.342  -0.073  -0.065
  155    HE1  TRP  25           HE1      TRP  25   9.360   0.046   2.506
  156    HE3  TRP  25           HE3      TRP  25   4.419  -1.118   0.830
  157    HZ2  TRP  25           HZ2      TRP  25   7.530  -0.262   4.632
  158    HZ3  TRP  25           HZ3      TRP  25   3.633  -1.186   3.161
  159    HH2  TRP  25           HH2      TRP  25   5.158  -0.767   5.022
  160    HB2  TRP  25           HB2      TRP  25   7.553  -0.358  -1.871
  161    HB3  TRP  25           HB1      TRP  25   5.895  -0.069  -1.349
  162    H    GLY  26           HN       GLY  26   4.063  -2.936  -0.981
  163    HA2  GLY  26           HA2      GLY  26   2.925  -2.066  -3.555
  164    HA3  GLY  26           HA1      GLY  26   2.675  -3.718  -3.012
  165    H    CYS  27           HN       CYS  27   0.411  -2.647  -3.438
  166    HA   CYS  27           HA       CYS  27  -0.581  -1.761  -0.812
  167    HB2  CYS  27           HB2      CYS  27  -0.509  -0.051  -2.860
  168    HB3  CYS  27           HB1      CYS  27  -2.021  -0.862  -3.260
  169    H    CYS  28           HN       CYS  28  -2.091  -3.039   0.010
  170    HA   CYS  28           HA       CYS  28  -3.603  -4.781  -1.825
  171    HG   CYS  28           HG       CYS  28  -3.901  -7.648  -1.326
  172    HB2  CYS  28           HB2      CYS  28  -1.938  -5.992  -0.413
  173    HB3  CYS  28           HB1      CYS  28  -2.793  -5.425   1.017
  174    HA   PRO  29           HA       PRO  29  -7.257  -2.767  -0.327
  175    HB2  PRO  29           HB2      PRO  29  -9.004  -4.879  -0.692
  176    HB3  PRO  29           HB1      PRO  29  -8.519  -3.742  -1.953
  177    HG2  PRO  29           HG2      PRO  29  -7.479  -6.483  -1.369
  178    HG3  PRO  29           HG1      PRO  29  -7.808  -5.718  -2.934
  179    HD2  PRO  29           HD2      PRO  29  -5.312  -5.939  -1.992
  180    HD3  PRO  29           HD1      PRO  29  -5.832  -4.499  -2.893
  181    H    MET  30           HN       MET  30  -7.851  -2.448   1.711
  182    HA   MET  30           HA       MET  30  -7.250  -4.320   3.773
  183    HB2  MET  30           HB2      MET  30  -9.032  -1.901   4.043
  184    HB3  MET  30           HB1      MET  30  -8.069  -2.678   5.292
  185    HG2  MET  30           HG2      MET  30  -6.029  -2.005   3.996
  186    HG3  MET  30           HG1      MET  30  -7.091  -1.039   2.973
  187    HE1  MET  30           HE1      MET  30  -8.188   1.104   3.579
  188    HE2  MET  30           HE2      MET  30  -8.269   1.822   5.187
  189    HE3  MET  30           HE3      MET  30  -9.182   0.357   4.829
  190    HA   PRO  31           HA       PRO  31 -10.968  -6.677   4.010
  191    HB2  PRO  31           HB2      PRO  31 -11.282  -6.980   6.701
  192    HB3  PRO  31           HB1      PRO  31 -10.067  -7.853   5.761
  193    HG2  PRO  31           HG2      PRO  31  -9.758  -5.385   7.429
  194    HG3  PRO  31           HG1      PRO  31  -8.701  -6.806   7.328
  195    HD2  PRO  31           HD2      PRO  31  -8.137  -4.512   6.032
  196    HD3  PRO  31           HD1      PRO  31  -7.732  -6.101   5.350
  197    H    GLN  32           HN       GLN  32 -10.777  -3.526   5.229
  198    HA   GLN  32           HA       GLN  32 -13.710  -3.399   5.461
  199    HB2  GLN  32           HB2      GLN  32 -11.762  -1.736   7.063
  200    HB3  GLN  32           HB1      GLN  32 -13.513  -1.741   7.211
  201    HG2  GLN  32           HG2      GLN  32 -13.460  -3.429   8.640
  202    HG3  GLN  32           HG1      GLN  32 -12.462  -4.395   7.554
  203   HE21  GLN  32          1HE2      GLN  32 -11.942  -1.395   9.379
  204   HE22  GLN  32          2HE2      GLN  32 -10.504  -1.927  10.175
  Start of MODEL    5
    1    H    ALA   1           HT1      ALA   1  -6.600   8.817   0.054
    2    HA   ALA   1           HA       ALA   1  -4.518   8.409  -1.330
    3    HB1  ALA   1           HB1      ALA   1  -4.200  11.268  -0.493
    4    HB2  ALA   1           HB2      ALA   1  -3.919  10.529  -2.070
    5    HB3  ALA   1           HB3      ALA   1  -2.793  10.235  -0.745
    6    H    ILE   2           HN       ILE   2  -3.617   6.917  -0.093
    7    HA   ILE   2           HA       ILE   2  -3.265   7.487   2.778
    8    HB   ILE   2           HB       ILE   2  -3.578   4.725   1.617
    9   HG12  ILE   2          2HG1      ILE   2  -5.760   6.376   2.906
   10   HG13  ILE   2          1HG1      ILE   2  -5.586   6.186   1.164
   11   HG21  ILE   2          1HG2      ILE   2  -4.039   4.082   3.894
   12   HG22  ILE   2          2HG2      ILE   2  -3.982   5.765   4.418
   13   HG23  ILE   2          3HG2      ILE   2  -2.517   4.972   3.840
   14   HD11  ILE   2          3HD1      ILE   2  -5.562   3.605   2.338
   15   HD12  ILE   2          1HD1      ILE   2  -6.757   4.318   1.254
   16   HD13  ILE   2          2HD1      ILE   2  -6.926   4.507   2.998
   17    H    GLN   3           HN       GLN   3  -1.180   7.997   3.029
   18    HA   GLN   3           HA       GLN   3   0.909   6.897   1.416
   19    HB2  GLN   3           HB2      GLN   3   0.609   9.038   3.286
   20    HB3  GLN   3           HB1      GLN   3   1.985   8.059   3.775
   21    HG2  GLN   3           HG2      GLN   3   3.035   8.356   1.648
   22    HG3  GLN   3           HG1      GLN   3   1.605   9.157   1.001
   23   HE21  GLN   3          1HE2      GLN   3   1.008  11.215   1.947
   24   HE22  GLN   3          2HE2      GLN   3   2.242  12.251   2.570
   25    H    CYS   4           HN       CYS   4   2.985   6.312   2.992
   26    HA   CYS   4           HA       CYS   4   2.360   4.513   5.119
   27    HB2  CYS   4           HB2      CYS   4   3.501   2.567   3.717
   28    HB3  CYS   4           HB1      CYS   4   1.762   2.833   3.678
   29    HA   PRO   5           HA       PRO   5   6.590   5.399   6.043
   30    HB2  PRO   5           HB2      PRO   5   7.242   3.302   7.628
   31    HB3  PRO   5           HB1      PRO   5   6.159   4.595   8.158
   32    HG2  PRO   5           HG2      PRO   5   5.483   1.875   7.099
   33    HG3  PRO   5           HG1      PRO   5   4.792   2.737   8.487
   34    HD2  PRO   5           HD2      PRO   5   3.555   2.638   6.084
   35    HD3  PRO   5           HD1      PRO   5   3.433   4.045   7.159
   36    H    ASP   6           HN       ASP   6   8.712   4.847   5.505
   37    HA   ASP   6           HA       ASP   6  10.345   3.998   4.166
   38    HB2  ASP   6           HB2      ASP   6   8.938   1.479   5.043
   39    HB3  ASP   6           HB1      ASP   6  10.402   1.447   4.064
   40    H    SER   7           HN       SER   7   8.366   5.088   2.683
   41    HA   SER   7           HA       SER   7   8.515   3.507   0.258
   42    HG   SER   7           HG       SER   7   5.702   4.048  -0.955
   43    HB2  SER   7           HB2      SER   7   6.373   2.852   1.485
   44    HB3  SER   7           HB1      SER   7   5.806   4.488   1.153
   45    H    GLN   8           HN       GLN   8   7.989   4.732  -1.657
   46    HA   GLN   8           HA       GLN   8   8.212   7.636  -1.216
   47    HB2  GLN   8           HB2      GLN   8   9.051   7.352  -3.764
   48    HB3  GLN   8           HB1      GLN   8  10.128   7.313  -2.377
   49    HG2  GLN   8           HG2      GLN   8  10.726   5.485  -3.728
   50    HG3  GLN   8           HG1      GLN   8   9.836   4.814  -2.363
   51   HE21  GLN   8          1HE2      GLN   8  10.092   4.968  -5.709
   52   HE22  GLN   8          2HE2      GLN   8   8.607   4.184  -6.115
   53    H    PHE   9           HN       PHE   9   5.875   5.616  -1.723
   54    HA   PHE   9           HA       PHE   9   4.379   7.462  -3.385
   55    HD1  PHE   9           HD1      PHE   9   5.731   3.671  -2.929
   56    HD2  PHE   9           HD2      PHE   9   2.357   4.316  -5.440
   57    HE1  PHE   9           HE1      PHE   9   5.046   1.332  -2.602
   58    HE2  PHE   9           HE2      PHE   9   1.665   1.977  -5.118
   59    HZ   PHE   9           HZ       PHE   9   3.011   0.481  -3.697
   60    HB2  PHE   9           HB2      PHE   9   3.832   6.028  -5.120
   61    HB3  PHE   9           HB1      PHE   9   5.507   5.582  -4.821
   62    H    GLU  10           HN       GLU  10   2.056   7.042  -3.338
   63    HA   GLU  10           HA       GLU  10   1.275   5.565  -0.911
   64    HB2  GLU  10           HB2      GLU  10  -0.793   7.226  -1.199
   65    HB3  GLU  10           HB1      GLU  10   0.657   7.675  -0.311
   66    HG2  GLU  10           HG2      GLU  10   1.490   8.936  -2.137
   67    HG3  GLU  10           HG1      GLU  10   0.256   8.297  -3.222
   68    H    CYS  11           HN       CYS  11  -1.184   5.037  -0.987
   69    HA   CYS  11           HA       CYS  11  -1.739   3.827  -3.615
   70    HB2  CYS  11           HB2      CYS  11  -2.401   2.854  -0.834
   71    HB3  CYS  11           HB1      CYS  11  -3.088   2.148  -2.293
   72    HA   PRO  12           HA       PRO  12  -5.374   6.430  -3.402
   73    HB2  PRO  12           HB2      PRO  12  -6.215   6.086  -5.910
   74    HB3  PRO  12           HB1      PRO  12  -4.733   6.987  -5.566
   75    HG2  PRO  12           HG2      PRO  12  -5.061   4.172  -6.521
   76    HG3  PRO  12           HG1      PRO  12  -3.881   5.396  -7.024
   77    HD2  PRO  12           HD2      PRO  12  -3.384   3.368  -5.203
   78    HD3  PRO  12           HD1      PRO  12  -2.454   4.875  -5.324
   79    H    ASP  13           HN       ASP  13  -7.743   6.064  -4.377
   80    HA   ASP  13           HA       ASP  13  -9.724   4.986  -4.092
   81    HB2  ASP  13           HB2      ASP  13  -7.988   3.207  -5.498
   82    HB3  ASP  13           HB1      ASP  13  -8.980   2.253  -4.398
   83    H    PHE  14           HN       PHE  14  -9.937   2.158  -3.133
   84    HA   PHE  14           HA       PHE  14  -9.526   2.738  -0.282
   85    HD1  PHE  14           HD1      PHE  14 -11.007  -0.675  -2.427
   86    HD2  PHE  14           HD2      PHE  14 -12.966   3.089  -2.119
   87    HE1  PHE  14           HE1      PHE  14 -12.183  -1.120  -4.540
   88    HE2  PHE  14           HE2      PHE  14 -14.148   2.651  -4.233
   89    HZ   PHE  14           HZ       PHE  14 -13.757   0.544  -5.446
   90    HB2  PHE  14           HB2      PHE  14 -11.177   0.592  -0.269
   91    HB3  PHE  14           HB1      PHE  14 -11.743   2.259  -0.299
   92    H    SER  15           HN       SER  15  -7.217   2.036  -1.183
   93    HA   SER  15           HA       SER  15  -6.927  -0.794  -0.437
   94    HG   SER  15           HG       SER  15  -4.858   1.390  -2.577
   95    HB2  SER  15           HB2      SER  15  -4.925  -0.788  -2.063
   96    HB3  SER  15           HB1      SER  15  -6.544  -0.881  -2.758
   97    H    THR  16           HN       THR  16  -5.314  -1.255   0.964
   98    HA   THR  16           HA       THR  16  -3.961   0.996   2.201
   99    HB   THR  16           HB       THR  16  -5.052  -0.734   3.605
  100    HG1  THR  16           HG1      THR  16  -2.982   0.504   4.148
  101   HG21  THR  16          3HG2      THR  16  -2.810  -2.543   2.704
  102   HG22  THR  16          1HG2      THR  16  -4.471  -2.662   2.124
  103   HG23  THR  16          2HG2      THR  16  -4.111  -2.934   3.829
  104    H    CYS  17           HN       CYS  17  -1.653   0.745   2.833
  105    HA   CYS  17           HA       CYS  17  -0.099   0.023   0.497
  106    HB2  CYS  17           HB2      CYS  17   0.134   2.104   2.131
  107    HB3  CYS  17           HB1      CYS  17   1.179   0.995   3.011
  108    H    CYS  18           HN       CYS  18  -0.023  -2.192   0.409
  109    HA   CYS  18           HA       CYS  18   0.785  -3.729   2.730
  110    HG   CYS  18           HG       CYS  18  -1.243  -6.828   1.361
  111    HB2  CYS  18           HB2      CYS  18  -0.779  -4.291   0.537
  112    HB3  CYS  18           HB1      CYS  18   0.728  -5.114   0.145
  113    H    VAL  19           HN       VAL  19   2.733  -4.722   3.039
  114    HA   VAL  19           HA       VAL  19   4.866  -4.019   1.129
  115    HB   VAL  19           HB       VAL  19   5.274  -2.921   3.219
  116   HG11  VAL  19          1HG1      VAL  19   5.437  -5.432   4.788
  117   HG12  VAL  19          2HG1      VAL  19   3.834  -4.790   4.428
  118   HG13  VAL  19          3HG1      VAL  19   5.006  -3.800   5.299
  119   HG21  VAL  19          3HG2      VAL  19   7.031  -4.857   2.124
  120   HG22  VAL  19          1HG2      VAL  19   7.226  -4.881   3.877
  121   HG23  VAL  19          2HG2      VAL  19   7.435  -3.373   2.988
  122    H    MET  20           HN       MET  20   6.053  -5.599   0.241
  123    HA   MET  20           HA       MET  20   5.430  -8.358   1.015
  124    HB2  MET  20           HB2      MET  20   7.033  -7.678  -1.416
  125    HB3  MET  20           HB1      MET  20   5.921  -9.013  -1.150
  126    HG2  MET  20           HG2      MET  20   4.347  -6.726  -0.975
  127    HG3  MET  20           HG1      MET  20   5.446  -6.425  -2.318
  128    HE1  MET  20           HE1      MET  20   5.073  -6.780  -4.293
  129    HE2  MET  20           HE2      MET  20   3.630  -7.504  -5.002
  130    HE3  MET  20           HE3      MET  20   5.110  -8.451  -4.854
  131    H    VAL  21           HN       VAL  21   7.006  -9.834   1.564
  132    HA   VAL  21           HA       VAL  21   9.356  -8.794   2.779
  133    HB   VAL  21           HB       VAL  21   8.841 -11.703   2.175
  134   HG11  VAL  21          1HG1      VAL  21  10.367 -10.314   4.376
  135   HG12  VAL  21          2HG1      VAL  21  11.065 -11.186   3.011
  136   HG13  VAL  21          3HG1      VAL  21  10.136 -12.057   4.231
  137   HG21  VAL  21          3HG2      VAL  21   6.933 -10.337   3.332
  138   HG22  VAL  21          1HG2      VAL  21   7.991 -10.433   4.739
  139   HG23  VAL  21          2HG2      VAL  21   7.412 -11.910   3.970
  140    H    ASP  22           HN       ASP  22   8.628  -9.707  -0.396
  141    HA   ASP  22           HA       ASP  22  11.051 -10.794  -1.291
  142    HB2  ASP  22           HB2      ASP  22   8.694 -10.415  -2.469
  143    HB3  ASP  22           HB1      ASP  22   9.511  -8.985  -3.093
  144    H    GLY  23           HN       GLY  23   9.908  -7.419  -1.521
  145    HA2  GLY  23           HA2      GLY  23  11.947  -5.982  -0.615
  146    HA3  GLY  23           HA1      GLY  23  12.620  -6.543  -2.137
  147    H    SER  24           HN       SER  24   9.217  -5.908  -1.861
  148    HA   SER  24           HA       SER  24   9.447  -3.221  -2.924
  149    HG   SER  24           HG       SER  24   6.856  -4.866  -5.033
  150    HB2  SER  24           HB2      SER  24   9.448  -4.003  -5.059
  151    HB3  SER  24           HB1      SER  24   8.786  -5.570  -4.593
  152    H    TRP  25           HN       TRP  25   7.328  -2.162  -3.137
  153    HA   TRP  25           HA       TRP  25   5.503  -3.144  -1.071
  154    HD1  TRP  25           HD1      TRP  25   8.332  -0.482  -1.093
  155    HE1  TRP  25           HE1      TRP  25   8.949  -0.038   1.365
  156    HE3  TRP  25           HE3      TRP  25   3.709  -1.043   1.018
  157    HZ2  TRP  25           HZ2      TRP  25   7.649   0.061   3.868
  158    HZ3  TRP  25           HZ3      TRP  25   3.482  -0.756   3.451
  159    HH2  TRP  25           HH2      TRP  25   5.412  -0.216   4.845
  160    HB2  TRP  25           HB2      TRP  25   5.920  -0.445  -2.344
  161    HB3  TRP  25           HB1      TRP  25   4.508  -0.793  -1.351
  162    H    GLY  26           HN       GLY  26   3.117  -2.438  -1.522
  163    HA2  GLY  26           HA2      GLY  26   2.209  -2.492  -4.224
  164    HA3  GLY  26           HA1      GLY  26   2.058  -4.075  -3.475
  165    H    CYS  27           HN       CYS  27   0.036  -2.076  -4.417
  166    HA   CYS  27           HA       CYS  27  -1.295  -1.294  -1.954
  167    HB2  CYS  27           HB2      CYS  27  -2.133  -0.926  -4.837
  168    HB3  CYS  27           HB1      CYS  27  -2.934  -0.217  -3.438
  169    H    CYS  28           HN       CYS  28  -2.833  -2.435  -0.983
  170    HA   CYS  28           HA       CYS  28  -4.236  -4.514  -2.525
  171    HG   CYS  28           HG       CYS  28  -3.956  -6.808  -2.558
  172    HB2  CYS  28           HB2      CYS  28  -2.374  -5.055  -0.581
  173    HB3  CYS  28           HB1      CYS  28  -3.881  -5.103   0.328
  174    HA   PRO  29           HA       PRO  29  -7.766  -2.065  -1.194
  175    HB2  PRO  29           HB2      PRO  29  -9.123  -4.608  -1.962
  176    HB3  PRO  29           HB1      PRO  29  -9.511  -2.944  -2.414
  177    HG2  PRO  29           HG2      PRO  29  -8.316  -4.568  -4.147
  178    HG3  PRO  29           HG1      PRO  29  -7.857  -2.858  -4.040
  179    HD2  PRO  29           HD2      PRO  29  -6.427  -5.274  -3.031
  180    HD3  PRO  29           HD1      PRO  29  -5.767  -3.769  -3.701
  181    H    MET  30           HN       MET  30  -8.620  -1.870   0.778
  182    HA   MET  30           HA       MET  30  -8.075  -3.697   2.844
  183    HB2  MET  30           HB2      MET  30  -9.510  -1.156   2.551
  184    HB3  MET  30           HB1      MET  30 -10.159  -2.192   3.814
  185    HG2  MET  30           HG2      MET  30  -7.349  -2.217   4.077
  186    HG3  MET  30           HG1      MET  30  -7.844  -0.539   3.860
  187    HE1  MET  30           HE1      MET  30  -6.603  -1.766   6.960
  188    HE2  MET  30           HE2      MET  30  -7.045  -3.163   5.978
  189    HE3  MET  30           HE3      MET  30  -7.812  -2.908   7.546
  190    HA   PRO  31           HA       PRO  31 -11.345  -6.647   2.543
  191    HB2  PRO  31           HB2      PRO  31 -11.752  -7.260   5.161
  192    HB3  PRO  31           HB1      PRO  31 -10.343  -7.814   4.248
  193    HG2  PRO  31           HG2      PRO  31 -10.588  -5.499   6.135
  194    HG3  PRO  31           HG1      PRO  31  -9.291  -6.704   6.006
  195    HD2  PRO  31           HD2      PRO  31  -9.062  -4.235   4.947
  196    HD3  PRO  31           HD1      PRO  31  -8.332  -5.660   4.180
  197    H    GLN  32           HN       GLN  32 -11.757  -4.009   4.857
  198    HA   GLN  32           HA       GLN  32 -14.674  -4.234   4.583
  199    HB2  GLN  32           HB2      GLN  32 -12.989  -2.760   6.615
  200    HB3  GLN  32           HB1      GLN  32 -14.746  -2.708   6.555
  201    HG2  GLN  32           HG2      GLN  32 -13.970  -5.429   6.562
  202    HG3  GLN  32           HG1      GLN  32 -13.062  -4.602   7.827
  203   HE21  GLN  32          1HE2      GLN  32 -14.031  -4.937   9.692
  204   HE22  GLN  32          2HE2      GLN  32 -15.728  -4.823   9.992
  Start of MODEL    6
    1    H    ALA   1           HT1      ALA   1  -4.356  11.699  -1.266
    2    HA   ALA   1           HA       ALA   1  -3.539   9.195  -2.279
    3    HB1  ALA   1           HB1      ALA   1  -1.523  10.720  -3.425
    4    HB2  ALA   1           HB2      ALA   1  -3.017  11.466  -3.991
    5    HB3  ALA   1           HB3      ALA   1  -2.726   9.749  -4.273
    6    H    ILE   2           HN       ILE   2  -3.274   9.135   0.023
    7    HA   ILE   2           HA       ILE   2  -1.159  10.819   1.136
    8    HB   ILE   2           HB       ILE   2  -2.732   8.749   2.651
    9   HG12  ILE   2          2HG1      ILE   2  -3.521  11.647   2.535
   10   HG13  ILE   2          1HG1      ILE   2  -4.142  10.504   1.348
   11   HG21  ILE   2          1HG2      ILE   2  -2.275  10.400   4.515
   12   HG22  ILE   2          2HG2      ILE   2  -1.165  11.200   3.404
   13   HG23  ILE   2          3HG2      ILE   2  -0.879   9.528   3.884
   14   HD11  ILE   2          3HD1      ILE   2  -5.803  10.309   2.850
   15   HD12  ILE   2          1HD1      ILE   2  -4.789  10.817   4.202
   16   HD13  ILE   2          2HD1      ILE   2  -4.693   9.162   3.601
   17    H    GLN   3           HN       GLN   3   0.779  10.037   0.484
   18    HA   GLN   3           HA       GLN   3   1.433   7.337   0.103
   19    HB2  GLN   3           HB2      GLN   3   3.279   9.629   0.798
   20    HB3  GLN   3           HB1      GLN   3   3.769   8.088   0.109
   21    HG2  GLN   3           HG2      GLN   3   3.208   8.701  -1.962
   22    HG3  GLN   3           HG1      GLN   3   1.706   9.459  -1.435
   23   HE21  GLN   3          1HE2      GLN   3   1.621  11.620  -1.213
   24   HE22  GLN   3          2HE2      GLN   3   2.954  12.685  -1.481
   25    H    CYS   4           HN       CYS   4   2.172   5.763   1.428
   26    HA   CYS   4           HA       CYS   4   1.717   5.937   4.199
   27    HB2  CYS   4           HB2      CYS   4   2.644   3.919   2.306
   28    HB3  CYS   4           HB1      CYS   4   3.431   3.780   3.874
   29    HA   PRO   5           HA       PRO   5   5.546   7.718   5.557
   30    HB2  PRO   5           HB2      PRO   5   5.347   7.232   8.194
   31    HB3  PRO   5           HB1      PRO   5   4.310   8.411   7.379
   32    HG2  PRO   5           HG2      PRO   5   3.703   5.602   8.209
   33    HG3  PRO   5           HG1      PRO   5   2.686   7.050   8.325
   34    HD2  PRO   5           HD2      PRO   5   2.449   5.165   6.347
   35    HD3  PRO   5           HD1      PRO   5   1.966   6.862   6.161
   36    H    ASP   6           HN       ASP   6   5.520   4.846   4.638
   37    HA   ASP   6           HA       ASP   6   7.904   4.007   6.133
   38    HB2  ASP   6           HB2      ASP   6   6.421   1.713   5.188
   39    HB3  ASP   6           HB1      ASP   6   6.999   2.074   6.812
   40    H    SER   7           HN       SER   7   6.475   4.730   3.215
   41    HA   SER   7           HA       SER   7   8.796   3.975   1.735
   42    HG   SER   7           HG       SER   7   7.784   1.382  -0.329
   43    HB2  SER   7           HB2      SER   7   7.520   1.810   1.856
   44    HB3  SER   7           HB1      SER   7   6.223   2.592   0.953
   45    H    GLN   8           HN       GLN   8   8.663   4.655  -0.540
   46    HA   GLN   8           HA       GLN   8   6.992   7.039  -0.773
   47    HB2  GLN   8           HB2      GLN   8   9.638   6.619  -1.328
   48    HB3  GLN   8           HB1      GLN   8   8.916   6.464  -2.923
   49    HG2  GLN   8           HG2      GLN   8   9.385   8.701  -2.856
   50    HG3  GLN   8           HG1      GLN   8   7.715   8.685  -2.292
   51   HE21  GLN   8          1HE2      GLN   8  10.662   7.825  -0.555
   52   HE22  GLN   8          2HE2      GLN   8  10.512   9.040   0.665
   53    H    PHE   9           HN       PHE   9   5.242   5.211  -1.032
   54    HA   PHE   9           HA       PHE   9   4.911   4.733  -3.923
   55    HD1  PHE   9           HD1      PHE   9   6.754   2.336  -1.892
   56    HD2  PHE   9           HD2      PHE   9   3.906   1.943  -5.028
   57    HE1  PHE   9           HE1      PHE   9   8.301   0.855  -3.104
   58    HE2  PHE   9           HE2      PHE   9   5.446   0.460  -6.247
   59    HZ   PHE   9           HZ       PHE   9   7.648  -0.085  -5.284
   60    HB2  PHE   9           HB2      PHE   9   4.423   2.969  -1.578
   61    HB3  PHE   9           HB1      PHE   9   3.276   2.872  -2.910
   62    H    GLU  10           HN       GLU  10   2.351   4.072  -4.148
   63    HA   GLU  10           HA       GLU  10   0.849   6.269  -2.890
   64    HB2  GLU  10           HB2      GLU  10   1.201   7.007  -5.103
   65    HB3  GLU  10           HB1      GLU  10   0.903   5.410  -5.775
   66    HG2  GLU  10           HG2      GLU  10  -1.399   5.597  -5.520
   67    HG3  GLU  10           HG1      GLU  10  -1.260   6.899  -4.340
   68    H    CYS  11           HN       CYS  11  -1.288   5.881  -2.375
   69    HA   CYS  11           HA       CYS  11  -2.446   3.272  -2.955
   70    HB2  CYS  11           HB2      CYS  11  -1.273   3.984  -0.405
   71    HB3  CYS  11           HB1      CYS  11  -2.991   3.647  -0.229
   72    HA   PRO  12           HA       PRO  12  -5.890   6.142  -3.086
   73    HB2  PRO  12           HB2      PRO  12  -7.633   4.565  -4.353
   74    HB3  PRO  12           HB1      PRO  12  -6.220   5.220  -5.190
   75    HG2  PRO  12           HG2      PRO  12  -6.666   2.483  -4.076
   76    HG3  PRO  12           HG1      PRO  12  -5.875   2.963  -5.587
   77    HD2  PRO  12           HD2      PRO  12  -4.555   2.301  -3.241
   78    HD3  PRO  12           HD1      PRO  12  -3.861   3.258  -4.564
   79    H    ASP  13           HN       ASP  13  -8.290   5.993  -2.518
   80    HA   ASP  13           HA       ASP  13  -8.519   4.938   0.136
   81    HB2  ASP  13           HB2      ASP  13  -9.840   6.913  -1.441
   82    HB3  ASP  13           HB1      ASP  13 -11.057   5.794  -0.832
   83    H    PHE  14           HN       PHE  14  -8.134   2.869  -1.780
   84    HA   PHE  14           HA       PHE  14 -10.566   1.324  -1.283
   85    HD1  PHE  14           HD1      PHE  14 -11.577  -0.889  -3.506
   86    HD2  PHE  14           HD2      PHE  14 -11.847   3.352  -3.726
   87    HE1  PHE  14           HE1      PHE  14 -14.003  -1.066  -3.882
   88    HE2  PHE  14           HE2      PHE  14 -14.272   3.183  -4.102
   89    HZ   PHE  14           HZ       PHE  14 -15.353   0.972  -4.180
   90    HB2  PHE  14           HB2      PHE  14  -9.718   2.240  -3.868
   91    HB3  PHE  14           HB1      PHE  14  -9.598   0.484  -3.809
   92    H    SER  15           HN       SER  15  -7.323   1.609  -0.960
   93    HA   SER  15           HA       SER  15  -7.024  -1.181  -0.272
   94    HG   SER  15           HG       SER  15  -5.258  -0.020  -3.681
   95    HB2  SER  15           HB2      SER  15  -4.701  -0.844  -1.729
   96    HB3  SER  15           HB1      SER  15  -6.111  -1.770  -2.246
   97    H    THR  16           HN       THR  16  -4.756  -1.584   0.614
   98    HA   THR  16           HA       THR  16  -3.808   0.830   2.015
   99    HB   THR  16           HB       THR  16  -4.999  -0.777   3.508
  100    HG1  THR  16           HG1      THR  16  -3.112   0.595   4.141
  101   HG21  THR  16          3HG2      THR  16  -2.840  -2.603   2.510
  102   HG22  THR  16          1HG2      THR  16  -4.567  -2.913   2.691
  103   HG23  THR  16          2HG2      THR  16  -3.532  -2.827   4.117
  104    H    CYS  17           HN       CYS  17  -1.525   0.338   3.011
  105    HA   CYS  17           HA       CYS  17   0.178  -0.326   0.766
  106    HB2  CYS  17           HB2      CYS  17   1.129   0.446   3.517
  107    HB3  CYS  17           HB1      CYS  17   1.938   0.684   1.971
  108    H    CYS  18           HN       CYS  18   0.428  -2.453   0.426
  109    HA   CYS  18           HA       CYS  18   0.971  -4.196   2.727
  110    HG   CYS  18           HG       CYS  18   0.246  -5.131  -1.586
  111    HB2  CYS  18           HB2      CYS  18  -0.076  -5.882   1.634
  112    HB3  CYS  18           HB1      CYS  18  -0.805  -4.572   0.712
  113    H    VAL  19           HN       VAL  19   2.562  -5.975   2.317
  114    HA   VAL  19           HA       VAL  19   4.823  -5.005   0.693
  115    HB   VAL  19           HB       VAL  19   5.236  -6.626   3.184
  116   HG11  VAL  19          1HG1      VAL  19   7.301  -6.512   2.329
  117   HG12  VAL  19          2HG1      VAL  19   7.299  -4.851   2.923
  118   HG13  VAL  19          3HG1      VAL  19   6.879  -5.187   1.244
  119   HG21  VAL  19          3HG2      VAL  19   3.891  -4.683   3.847
  120   HG22  VAL  19          1HG2      VAL  19   5.064  -3.615   3.075
  121   HG23  VAL  19          2HG2      VAL  19   5.537  -4.582   4.472
  122    H    MET  20           HN       MET  20   6.203  -6.611  -0.210
  123    HA   MET  20           HA       MET  20   4.920  -9.252  -0.458
  124    HB2  MET  20           HB2      MET  20   6.813  -8.253  -2.537
  125    HB3  MET  20           HB1      MET  20   5.438  -9.336  -2.703
  126    HG2  MET  20           HG2      MET  20   3.983  -7.659  -3.050
  127    HG3  MET  20           HG1      MET  20   4.789  -6.580  -1.912
  128    HE1  MET  20           HE1      MET  20   5.226  -6.921  -6.375
  129    HE2  MET  20           HE2      MET  20   3.823  -6.232  -5.560
  130    HE3  MET  20           HE3      MET  20   4.279  -7.909  -5.263
  131    H    VAL  21           HN       VAL  21   6.551 -10.970  -1.210
  132    HA   VAL  21           HA       VAL  21   8.516 -11.257   0.806
  133    HB   VAL  21           HB       VAL  21   9.291 -13.214  -0.674
  134   HG11  VAL  21          1HG1      VAL  21   7.806 -13.394   1.300
  135   HG12  VAL  21          2HG1      VAL  21   7.463 -14.599   0.059
  136   HG13  VAL  21          3HG1      VAL  21   6.416 -13.191   0.234
  137   HG21  VAL  21          3HG2      VAL  21   6.673 -12.808  -2.073
  138   HG22  VAL  21          1HG2      VAL  21   8.022 -13.853  -2.515
  139   HG23  VAL  21          2HG2      VAL  21   8.158 -12.106  -2.713
  140    H    ASP  22           HN       ASP  22   8.572  -9.888  -2.363
  141    HA   ASP  22           HA       ASP  22  11.328 -10.133  -2.925
  142    HB2  ASP  22           HB2      ASP  22   9.296  -9.382  -4.427
  143    HB3  ASP  22           HB1      ASP  22   9.759  -7.773  -3.882
  144    H    GLY  23           HN       GLY  23   9.691  -8.304  -0.605
  145    HA2  GLY  23           HA2      GLY  23  10.743  -7.050   1.080
  146    HA3  GLY  23           HA1      GLY  23  12.155  -6.889   0.048
  147    H    SER  24           HN       SER  24   9.758  -6.193  -1.986
  148    HA   SER  24           HA       SER  24  10.118  -3.329  -1.627
  149    HG   SER  24           HG       SER  24   8.113  -4.446  -4.919
  150    HB2  SER  24           HB2      SER  24   9.834  -3.171  -3.862
  151    HB3  SER  24           HB1      SER  24  10.001  -4.927  -3.867
  152    H    TRP  25           HN       TRP  25   8.067  -1.990  -2.259
  153    HA   TRP  25           HA       TRP  25   5.893  -2.931  -0.516
  154    HD1  TRP  25           HD1      TRP  25   8.989  -0.864   0.408
  155    HE1  TRP  25           HE1      TRP  25   9.165  -0.892   2.975
  156    HE3  TRP  25           HE3      TRP  25   4.010  -0.833   1.563
  157    HZ2  TRP  25           HZ2      TRP  25   7.423  -0.902   5.196
  158    HZ3  TRP  25           HZ3      TRP  25   3.348  -0.852   3.933
  159    HH2  TRP  25           HH2      TRP  25   5.021  -0.886   5.710
  160    HB2  TRP  25           HB2      TRP  25   6.897  -0.180  -1.208
  161    HB3  TRP  25           HB1      TRP  25   5.284  -0.419  -0.543
  162    H    GLY  26           HN       GLY  26   3.698  -2.466  -1.121
  163    HA2  GLY  26           HA2      GLY  26   3.116  -1.586  -3.805
  164    HA3  GLY  26           HA1      GLY  26   2.892  -3.313  -3.573
  165    H    CYS  27           HN       CYS  27   0.977  -1.066  -4.118
  166    HA   CYS  27           HA       CYS  27  -0.635  -0.958  -1.711
  167    HB2  CYS  27           HB2      CYS  27  -0.339   0.956  -3.389
  168    HB3  CYS  27           HB1      CYS  27  -1.439   0.060  -4.433
  169    H    CYS  28           HN       CYS  28  -2.058  -2.461  -1.186
  170    HA   CYS  28           HA       CYS  28  -3.604  -3.791  -3.281
  171    HG   CYS  28           HG       CYS  28  -1.784  -6.907  -3.879
  172    HB2  CYS  28           HB2      CYS  28  -1.895  -5.189  -1.230
  173    HB3  CYS  28           HB1      CYS  28  -3.263  -5.987  -2.001
  174    HA   PRO  29           HA       PRO  29  -7.093  -3.033  -0.685
  175    HB2  PRO  29           HB2      PRO  29  -7.866  -5.836  -1.354
  176    HB3  PRO  29           HB1      PRO  29  -8.811  -4.346  -1.481
  177    HG2  PRO  29           HG2      PRO  29  -7.779  -5.479  -3.653
  178    HG3  PRO  29           HG1      PRO  29  -7.796  -3.715  -3.469
  179    HD2  PRO  29           HD2      PRO  29  -5.528  -5.632  -3.187
  180    HD3  PRO  29           HD1      PRO  29  -5.533  -3.971  -3.816
  181    H    MET  30           HN       MET  30  -8.004  -3.608   1.324
  182    HA   MET  30           HA       MET  30  -6.221  -5.168   3.002
  183    HB2  MET  30           HB2      MET  30  -8.701  -3.914   4.079
  184    HB3  MET  30           HB1      MET  30  -7.104  -4.037   4.802
  185    HG2  MET  30           HG2      MET  30  -6.295  -2.326   3.215
  186    HG3  MET  30           HG1      MET  30  -7.939  -2.161   2.604
  187    HE1  MET  30           HE1      MET  30  -8.717  -0.255   2.839
  188    HE2  MET  30           HE2      MET  30  -8.474   0.947   4.106
  189    HE3  MET  30           HE3      MET  30  -9.798  -0.211   4.232
  190    HA   PRO  31           HA       PRO  31  -8.897  -8.735   2.637
  191    HB2  PRO  31           HB2      PRO  31  -7.216  -9.945   4.698
  192    HB3  PRO  31           HB1      PRO  31  -7.412 -10.408   3.006
  193    HG2  PRO  31           HG2      PRO  31  -5.132  -9.307   3.961
  194    HG3  PRO  31           HG1      PRO  31  -5.694  -9.054   2.300
  195    HD2  PRO  31           HD2      PRO  31  -5.909  -7.238   4.673
  196    HD3  PRO  31           HD1      PRO  31  -5.519  -6.845   2.983
  197    H    GLN  32           HN       GLN  32  -8.533  -6.672   5.235
  198    HA   GLN  32           HA       GLN  32 -10.687  -8.037   6.704
  199    HB2  GLN  32           HB2      GLN  32  -8.058  -7.500   7.640
  200    HB3  GLN  32           HB1      GLN  32  -9.154  -6.430   8.501
  201    HG2  GLN  32           HG2      GLN  32  -9.170  -8.253   9.871
  202    HG3  GLN  32           HG1      GLN  32 -10.552  -8.611   8.836
  203   HE21  GLN  32          1HE2      GLN  32 -10.291 -10.819   9.377
  204   HE22  GLN  32          2HE2      GLN  32  -9.073 -11.780   8.619
  Start of MODEL    7
    1    H    ALA   1           HT1      ALA   1  -7.777  10.547  -0.838
    2    HA   ALA   1           HA       ALA   1  -5.821   8.787  -1.111
    3    HB1  ALA   1           HB1      ALA   1  -4.378  10.641  -1.558
    4    HB2  ALA   1           HB2      ALA   1  -5.345  11.708  -0.541
    5    HB3  ALA   1           HB3      ALA   1  -6.011  11.088  -2.052
    6    H    ILE   2           HN       ILE   2  -5.476   7.443   0.682
    7    HA   ILE   2           HA       ILE   2  -4.284   8.652   3.067
    8    HB   ILE   2           HB       ILE   2  -5.050   5.770   2.587
    9   HG12  ILE   2          2HG1      ILE   2  -6.993   7.318   2.539
   10   HG13  ILE   2          1HG1      ILE   2  -7.037   6.213   3.909
   11   HG21  ILE   2          1HG2      ILE   2  -4.411   5.286   4.708
   12   HG22  ILE   2          2HG2      ILE   2  -4.784   6.901   5.309
   13   HG23  ILE   2          3HG2      ILE   2  -3.295   6.618   4.407
   14   HD11  ILE   2          3HD1      ILE   2  -5.702   8.494   4.821
   15   HD12  ILE   2          1HD1      ILE   2  -7.336   7.966   5.220
   16   HD13  ILE   2          2HD1      ILE   2  -7.073   9.076   3.875
   17    H    GLN   3           HN       GLN   3  -2.154   8.751   3.280
   18    HA   GLN   3           HA       GLN   3  -0.470   7.065   1.568
   19    HB2  GLN   3           HB2      GLN   3   0.487   9.385   3.231
   20    HB3  GLN   3           HB1      GLN   3   1.242   8.673   1.812
   21    HG2  GLN   3           HG2      GLN   3  -0.445   9.588   0.380
   22    HG3  GLN   3           HG1      GLN   3  -1.374  10.157   1.765
   23   HE21  GLN   3          1HE2      GLN   3  -1.323  12.278   1.021
   24   HE22  GLN   3          2HE2      GLN   3   0.104  13.247   1.111
   25    H    CYS   4           HN       CYS   4   1.881   7.031   2.911
   26    HA   CYS   4           HA       CYS   4   1.604   6.254   5.645
   27    HB2  CYS   4           HB2      CYS   4   2.485   3.850   5.040
   28    HB3  CYS   4           HB1      CYS   4   0.759   4.194   5.038
   29    HA   PRO   5           HA       PRO   5   5.910   7.178   5.715
   30    HB2  PRO   5           HB2      PRO   5   6.858   5.272   7.465
   31    HB3  PRO   5           HB1      PRO   5   6.051   6.765   7.955
   32    HG2  PRO   5           HG2      PRO   5   4.932   4.005   7.689
   33    HG3  PRO   5           HG1      PRO   5   4.633   5.220   8.946
   34    HD2  PRO   5           HD2      PRO   5   2.862   4.774   6.982
   35    HD3  PRO   5           HD1      PRO   5   3.145   6.407   7.622
   36    H    ASP   6           HN       ASP   6   8.115   6.163   5.435
   37    HA   ASP   6           HA       ASP   6   9.567   5.010   4.121
   38    HB2  ASP   6           HB2      ASP   6   8.041   3.107   5.515
   39    HB3  ASP   6           HB1      ASP   6   8.123   2.520   3.857
   40    H    SER   7           HN       SER   7   9.194   3.030   2.188
   41    HA   SER   7           HA       SER   7   8.791   2.836  -0.042
   42    HG   SER   7           HG       SER   7   5.037   4.195  -0.101
   43    HB2  SER   7           HB2      SER   7   6.565   2.705  -0.644
   44    HB3  SER   7           HB1      SER   7   6.416   2.640   1.112
   45    H    GLN   8           HN       GLN   8   7.328   4.389  -1.841
   46    HA   GLN   8           HA       GLN   8   8.497   7.071  -1.606
   47    HB2  GLN   8           HB2      GLN   8   8.693   5.311  -4.056
   48    HB3  GLN   8           HB1      GLN   8   9.228   6.982  -3.952
   49    HG2  GLN   8           HG2      GLN   8  10.863   6.336  -2.239
   50    HG3  GLN   8           HG1      GLN   8  10.341   4.659  -2.395
   51   HE21  GLN   8          1HE2      GLN   8  12.726   6.653  -3.199
   52   HE22  GLN   8          2HE2      GLN   8  13.235   5.966  -4.699
   53    H    PHE   9           HN       PHE   9   6.132   4.936  -3.074
   54    HA   PHE   9           HA       PHE   9   4.667   7.228  -4.153
   55    HD1  PHE   9           HD1      PHE   9   6.358   3.572  -4.945
   56    HD2  PHE   9           HD2      PHE   9   2.213   3.750  -3.998
   57    HE1  PHE   9           HE1      PHE   9   6.407   1.197  -4.302
   58    HE2  PHE   9           HE2      PHE   9   2.255   1.377  -3.352
   59    HZ   PHE   9           HZ       PHE   9   4.353   0.097  -3.502
   60    HB2  PHE   9           HB2      PHE   9   3.262   5.497  -5.268
   61    HB3  PHE   9           HB1      PHE   9   4.963   5.412  -5.712
   62    H    GLU  10           HN       GLU  10   2.165   6.855  -4.024
   63    HA   GLU  10           HA       GLU  10   1.411   5.982  -1.323
   64    HB2  GLU  10           HB2      GLU  10  -0.216   8.137  -1.660
   65    HB3  GLU  10           HB1      GLU  10   1.286   8.158  -0.746
   66    HG2  GLU  10           HG2      GLU  10   1.718   8.613  -3.577
   67    HG3  GLU  10           HG1      GLU  10   0.624   9.796  -2.862
   68    H    CYS  11           HN       CYS  11  -0.284   4.664  -1.359
   69    HA   CYS  11           HA       CYS  11  -1.777   4.303  -3.815
   70    HB2  CYS  11           HB2      CYS  11  -0.932   2.545  -1.938
   71    HB3  CYS  11           HB1      CYS  11  -2.581   2.813  -1.388
   72    HA   PRO  12           HA       PRO  12  -5.259   6.684  -2.447
   73    HB2  PRO  12           HB2      PRO  12  -7.092   5.935  -4.235
   74    HB3  PRO  12           HB1      PRO  12  -5.646   6.824  -4.730
   75    HG2  PRO  12           HG2      PRO  12  -6.239   3.901  -4.941
   76    HG3  PRO  12           HG1      PRO  12  -5.440   4.970  -6.109
   77    HD2  PRO  12           HD2      PRO  12  -4.128   3.272  -4.357
   78    HD3  PRO  12           HD1      PRO  12  -3.401   4.693  -5.128
   79    H    ASP  13           HN       ASP  13  -7.800   6.266  -2.236
   80    HA   ASP  13           HA       ASP  13  -8.165   4.612  -0.016
   81    HB2  ASP  13           HB2      ASP  13 -10.271   5.663  -1.916
   82    HB3  ASP  13           HB1      ASP  13 -10.560   5.066  -0.285
   83    H    PHE  14           HN       PHE  14  -7.977   3.768  -3.285
   84    HA   PHE  14           HA       PHE  14  -9.790   1.665  -3.523
   85    HD1  PHE  14           HD1      PHE  14  -9.893   0.278  -6.220
   86    HD2  PHE  14           HD2      PHE  14  -8.426   4.257  -5.855
   87    HE1  PHE  14           HE1      PHE  14 -11.441   1.006  -7.988
   88    HE2  PHE  14           HE2      PHE  14  -9.972   4.992  -7.621
   89    HZ   PHE  14           HZ       PHE  14 -11.482   3.366  -8.691
   90    HB2  PHE  14           HB2      PHE  14  -7.249   2.424  -4.861
   91    HB3  PHE  14           HB1      PHE  14  -7.792   0.763  -5.073
   92    H    SER  15           HN       SER  15  -6.433   1.630  -2.356
   93    HA   SER  15           HA       SER  15  -7.017  -0.683  -0.720
   94    HG   SER  15           HG       SER  15  -5.021   0.140  -3.435
   95    HB2  SER  15           HB2      SER  15  -4.715  -1.635  -1.787
   96    HB3  SER  15           HB1      SER  15  -6.319  -2.111  -2.345
   97    H    THR  16           HN       THR  16  -5.101  -1.278   0.655
   98    HA   THR  16           HA       THR  16  -3.753   1.183   1.477
   99    HB   THR  16           HB       THR  16  -5.010  -0.088   3.192
  100    HG1  THR  16           HG1      THR  16  -2.880   1.121   3.532
  101   HG21  THR  16          3HG2      THR  16  -2.875  -2.164   3.247
  102   HG22  THR  16          1HG2      THR  16  -4.187  -2.337   2.081
  103   HG23  THR  16          2HG2      THR  16  -4.546  -2.249   3.805
  104    H    CYS  17           HN       CYS  17  -1.496   0.952   2.316
  105    HA   CYS  17           HA       CYS  17   0.122  -0.329   0.289
  106    HB2  CYS  17           HB2      CYS  17   1.960   0.758   1.896
  107    HB3  CYS  17           HB1      CYS  17   1.063   1.710   0.717
  108    H    CYS  18           HN       CYS  18   1.086  -2.235   0.479
  109    HA   CYS  18           HA       CYS  18   1.556  -3.329   3.168
  110    HG   CYS  18           HG       CYS  18   1.191  -6.036   3.903
  111    HB2  CYS  18           HB2      CYS  18  -0.341  -4.295   1.384
  112    HB3  CYS  18           HB1      CYS  18   1.033  -5.373   1.156
  113    H    VAL  19           HN       VAL  19   3.222  -4.999   3.249
  114    HA   VAL  19           HA       VAL  19   5.433  -4.318   1.485
  115    HB   VAL  19           HB       VAL  19   5.447  -6.182   3.862
  116   HG11  VAL  19          1HG1      VAL  19   7.863  -4.703   3.064
  117   HG12  VAL  19          2HG1      VAL  19   7.326  -5.946   1.935
  118   HG13  VAL  19          3HG1      VAL  19   7.679  -6.370   3.610
  119   HG21  VAL  19          3HG2      VAL  19   6.570  -3.449   4.060
  120   HG22  VAL  19          1HG2      VAL  19   5.785  -4.446   5.285
  121   HG23  VAL  19          2HG2      VAL  19   4.813  -3.597   4.084
  122    H    MET  20           HN       MET  20   6.245  -5.605  -0.060
  123    HA   MET  20           HA       MET  20   4.779  -7.898  -0.900
  124    HB2  MET  20           HB2      MET  20   7.214  -6.456  -1.846
  125    HB3  MET  20           HB1      MET  20   6.935  -8.090  -2.433
  126    HG2  MET  20           HG2      MET  20   5.088  -5.733  -2.719
  127    HG3  MET  20           HG1      MET  20   6.037  -6.497  -3.992
  128    HE1  MET  20           HE1      MET  20   3.830  -8.860  -5.519
  129    HE2  MET  20           HE2      MET  20   5.292  -9.422  -4.707
  130    HE3  MET  20           HE3      MET  20   5.273  -7.845  -5.498
  131    H    VAL  21           HN       VAL  21   5.783 -10.029  -1.311
  132    HA   VAL  21           HA       VAL  21   6.952 -11.051   1.088
  133    HB   VAL  21           HB       VAL  21   7.050 -13.218  -0.196
  134   HG11  VAL  21          1HG1      VAL  21   5.168 -12.857   1.186
  135   HG12  VAL  21          2HG1      VAL  21   4.534 -13.408  -0.364
  136   HG13  VAL  21          3HG1      VAL  21   4.468 -11.697   0.057
  137   HG21  VAL  21          3HG2      VAL  21   5.737 -13.249  -2.332
  138   HG22  VAL  21          1HG2      VAL  21   7.300 -12.439  -2.436
  139   HG23  VAL  21          2HG2      VAL  21   5.819 -11.488  -2.333
  140    H    ASP  22           HN       ASP  22   8.133 -10.231  -2.108
  141    HA   ASP  22           HA       ASP  22  10.678 -11.483  -1.825
  142    HB2  ASP  22           HB2      ASP  22  10.010 -11.121  -4.048
  143    HB3  ASP  22           HB1      ASP  22   9.536  -9.455  -3.728
  144    H    GLY  23           HN       GLY  23   9.399  -8.289  -1.118
  145    HA2  GLY  23           HA2      GLY  23  10.686  -7.330   0.874
  146    HA3  GLY  23           HA1      GLY  23  12.073  -7.451  -0.198
  147    H    SER  24           HN       SER  24   9.626  -6.756  -2.207
  148    HA   SER  24           HA       SER  24  10.383  -3.971  -2.376
  149    HG   SER  24           HG       SER  24  10.238  -3.368  -4.710
  150    HB2  SER  24           HB2      SER  24   9.228  -5.956  -4.146
  151    HB3  SER  24           HB1      SER  24   8.322  -4.444  -4.212
  152    H    TRP  25           HN       TRP  25   8.208  -2.651  -3.226
  153    HA   TRP  25           HA       TRP  25   6.423  -2.712  -0.884
  154    HD1  TRP  25           HD1      TRP  25   9.433   0.072  -0.699
  155    HE1  TRP  25           HE1      TRP  25   9.419   0.617   1.817
  156    HE3  TRP  25           HE3      TRP  25   4.529  -0.952   0.330
  157    HZ2  TRP  25           HZ2      TRP  25   7.574   0.613   3.955
  158    HZ3  TRP  25           HZ3      TRP  25   3.720  -0.656   2.635
  159    HH2  TRP  25           HH2      TRP  25   5.212   0.110   4.408
  160    HB2  TRP  25           HB2      TRP  25   7.651  -0.521  -2.447
  161    HB3  TRP  25           HB1      TRP  25   5.976  -0.268  -1.968
  162    H    GLY  26           HN       GLY  26   4.235  -2.824  -1.156
  163    HA2  GLY  26           HA2      GLY  26   3.178  -2.636  -3.891
  164    HA3  GLY  26           HA1      GLY  26   2.906  -4.115  -2.984
  165    H    CYS  27           HN       CYS  27   0.657  -3.275  -3.653
  166    HA   CYS  27           HA       CYS  27  -0.467  -1.937  -1.309
  167    HB2  CYS  27           HB2      CYS  27  -0.184  -0.193  -3.041
  168    HB3  CYS  27           HB1      CYS  27  -1.144  -1.157  -4.155
  169    H    CYS  28           HN       CYS  28  -2.084  -3.121  -0.518
  170    HA   CYS  28           HA       CYS  28  -3.650  -4.783  -2.378
  171    HG   CYS  28           HG       CYS  28  -5.245  -6.307   0.220
  172    HB2  CYS  28           HB2      CYS  28  -2.224  -6.353  -1.344
  173    HB3  CYS  28           HB1      CYS  28  -2.375  -5.581   0.229
  174    HA   PRO  29           HA       PRO  29  -7.275  -2.880  -0.707
  175    HB2  PRO  29           HB2      PRO  29  -8.407  -5.635  -0.846
  176    HB3  PRO  29           HB1      PRO  29  -9.052  -4.120  -1.489
  177    HG2  PRO  29           HG2      PRO  29  -7.927  -5.895  -3.112
  178    HG3  PRO  29           HG1      PRO  29  -7.653  -4.157  -3.342
  179    HD2  PRO  29           HD2      PRO  29  -5.837  -6.228  -2.187
  180    HD3  PRO  29           HD1      PRO  29  -5.449  -4.820  -3.196
  181    H    MET  30           HN       MET  30  -7.752  -2.402   1.335
  182    HA   MET  30           HA       MET  30  -6.928  -4.163   3.471
  183    HB2  MET  30           HB2      MET  30  -8.024  -2.204   4.848
  184    HB3  MET  30           HB1      MET  30  -6.460  -1.994   4.073
  185    HG2  MET  30           HG2      MET  30  -7.224  -0.304   2.874
  186    HG3  MET  30           HG1      MET  30  -8.542  -1.288   2.242
  187    HE1  MET  30           HE1      MET  30  -8.295   2.202   3.968
  188    HE2  MET  30           HE2      MET  30  -9.960   2.166   3.386
  189    HE3  MET  30           HE3      MET  30  -8.658   1.542   2.373
  190    HA   PRO  31           HA       PRO  31 -10.677  -6.332   4.283
  191    HB2  PRO  31           HB2      PRO  31 -10.232  -5.574   7.130
  192    HB3  PRO  31           HB1      PRO  31 -10.514  -7.167   6.421
  193    HG2  PRO  31           HG2      PRO  31  -8.076  -6.440   7.209
  194    HG3  PRO  31           HG1      PRO  31  -8.311  -7.397   5.735
  195    HD2  PRO  31           HD2      PRO  31  -7.666  -4.502   6.036
  196    HD3  PRO  31           HD1      PRO  31  -7.143  -5.654   4.790
  197    H    GLN  32           HN       GLN  32 -10.199  -3.168   5.762
  198    HA   GLN  32           HA       GLN  32 -12.907  -2.734   6.484
  199    HB2  GLN  32           HB2      GLN  32 -10.434  -1.131   6.353
  200    HB3  GLN  32           HB1      GLN  32 -11.924  -0.218   6.168
  201    HG2  GLN  32           HG2      GLN  32 -12.614  -0.630   8.299
  202    HG3  GLN  32           HG1      GLN  32 -11.752  -2.164   8.399
  203   HE21  GLN  32          1HE2      GLN  32  -9.313  -1.922   8.309
  204   HE22  GLN  32          2HE2      GLN  32  -8.633  -0.651   9.260
  Start of MODEL    8
    1    H    ALA   1           HT1      ALA   1  -6.625  11.721   0.577
    2    HA   ALA   1           HA       ALA   1  -6.031   8.824   0.412
    3    HB1  ALA   1           HB1      ALA   1  -4.103  10.156  -1.013
    4    HB2  ALA   1           HB2      ALA   1  -5.569  11.055  -1.406
    5    HB3  ALA   1           HB3      ALA   1  -5.495   9.317  -1.698
    6    H    ILE   2           HN       ILE   2  -4.539   8.129   1.791
    7    HA   ILE   2           HA       ILE   2  -2.877  10.133   3.174
    8    HB   ILE   2           HB       ILE   2  -2.755   7.915   4.780
    9   HG12  ILE   2          2HG1      ILE   2  -5.683   8.146   4.421
   10   HG13  ILE   2          1HG1      ILE   2  -4.829   7.268   3.156
   11   HG21  ILE   2          1HG2      ILE   2  -4.941   9.618   5.576
   12   HG22  ILE   2          2HG2      ILE   2  -3.597  10.563   4.936
   13   HG23  ILE   2          3HG2      ILE   2  -3.332   9.450   6.277
   14   HD11  ILE   2          3HD1      ILE   2  -4.362   5.526   4.501
   15   HD12  ILE   2          1HD1      ILE   2  -5.767   6.124   5.382
   16   HD13  ILE   2          2HD1      ILE   2  -4.143   6.541   5.926
   17    H    GLN   3           HN       GLN   3  -0.710   9.879   3.188
   18    HA   GLN   3           HA       GLN   3   0.396   7.780   1.512
   19    HB2  GLN   3           HB2      GLN   3   2.013   9.897   2.899
   20    HB3  GLN   3           HB1      GLN   3   2.350   9.068   1.386
   21    HG2  GLN   3           HG2      GLN   3   1.515  10.810   0.317
   22    HG3  GLN   3           HG1      GLN   3  -0.068  10.399   0.976
   23   HE21  GLN   3          1HE2      GLN   3   2.207  12.775   0.723
   24   HE22  GLN   3          2HE2      GLN   3   1.714  13.783   2.035
   25    H    CYS   4           HN       CYS   4   0.829   5.885   2.428
   26    HA   CYS   4           HA       CYS   4   1.153   5.451   5.187
   27    HB2  CYS   4           HB2      CYS   4   1.728   3.188   4.612
   28    HB3  CYS   4           HB1      CYS   4   0.468   3.724   3.507
   29    HA   PRO   5           HA       PRO   5   5.291   6.588   6.190
   30    HB2  PRO   5           HB2      PRO   5   5.509   3.892   7.442
   31    HB3  PRO   5           HB1      PRO   5   5.850   5.484   8.130
   32    HG2  PRO   5           HG2      PRO   5   3.627   4.170   8.782
   33    HG3  PRO   5           HG1      PRO   5   3.613   5.928   8.551
   34    HD2  PRO   5           HD2      PRO   5   2.604   3.770   6.756
   35    HD3  PRO   5           HD1      PRO   5   1.961   5.401   7.035
   36    H    ASP   6           HN       ASP   6   7.400   6.261   5.512
   37    HA   ASP   6           HA       ASP   6   9.068   5.567   4.133
   38    HB2  ASP   6           HB2      ASP   6   7.848   2.831   4.564
   39    HB3  ASP   6           HB1      ASP   6   9.470   3.157   3.959
   40    H    SER   7           HN       SER   7   9.165   3.536   2.196
   41    HA   SER   7           HA       SER   7   8.665   3.124   0.018
   42    HG   SER   7           HG       SER   7   5.415   2.798  -1.138
   43    HB2  SER   7           HB2      SER   7   6.598   2.185   0.515
   44    HB3  SER   7           HB1      SER   7   5.953   3.692   1.164
   45    H    GLN   8           HN       GLN   8   7.961   4.170  -2.045
   46    HA   GLN   8           HA       GLN   8   8.255   7.095  -1.837
   47    HB2  GLN   8           HB2      GLN   8   9.076   6.712  -4.324
   48    HB3  GLN   8           HB1      GLN   8  10.170   6.533  -2.960
   49    HG2  GLN   8           HG2      GLN   8   9.860   4.126  -3.002
   50    HG3  GLN   8           HG1      GLN   8   8.718   4.285  -4.335
   51   HE21  GLN   8          1HE2      GLN   8  10.289   2.743  -5.292
   52   HE22  GLN   8          2HE2      GLN   8  11.642   3.400  -6.142
   53    H    PHE   9           HN       PHE   9   5.762   5.532  -1.820
   54    HA   PHE   9           HA       PHE   9   4.328   7.097  -3.735
   55    HD1  PHE   9           HD2      PHE   9   6.399   3.457  -4.107
   56    HD2  PHE   9           HD1      PHE   9   2.147   3.543  -3.947
   57    HE1  PHE   9           HE2      PHE   9   6.380   1.097  -3.408
   58    HE2  PHE   9           HE1      PHE   9   2.121   1.183  -3.247
   59    HZ   PHE   9           HZ       PHE   9   4.241  -0.042  -2.977
   60    HB2  PHE   9           HB2      PHE   9   3.370   5.292  -5.040
   61    HB3  PHE   9           HB1      PHE   9   5.124   5.240  -5.173
   62    H    GLU  10           HN       GLU  10   1.924   6.419  -3.719
   63    HA   GLU  10           HA       GLU  10   1.179   5.424  -1.052
   64    HB2  GLU  10           HB2      GLU  10  -0.599   7.135  -0.955
   65    HB3  GLU  10           HB1      GLU  10   1.009   7.843  -0.982
   66    HG2  GLU  10           HG2      GLU  10   0.775   8.557  -3.206
   67    HG3  GLU  10           HG1      GLU  10  -0.636   7.533  -3.470
   68    H    CYS  11           HN       CYS  11  -1.347   5.117  -1.030
   69    HA   CYS  11           HA       CYS  11  -2.057   3.704  -3.516
   70    HB2  CYS  11           HB2      CYS  11  -2.896   3.031  -0.689
   71    HB3  CYS  11           HB1      CYS  11  -3.346   2.140  -2.139
   72    HA   PRO  12           HA       PRO  12  -5.352   6.847  -2.965
   73    HB2  PRO  12           HB2      PRO  12  -5.291   7.898  -5.414
   74    HB3  PRO  12           HB1      PRO  12  -4.054   8.313  -4.219
   75    HG2  PRO  12           HG2      PRO  12  -3.901   6.425  -6.528
   76    HG3  PRO  12           HG1      PRO  12  -2.678   7.555  -5.921
   77    HD2  PRO  12           HD2      PRO  12  -2.773   4.828  -5.365
   78    HD3  PRO  12           HD1      PRO  12  -1.878   6.036  -4.424
   79    H    ASP  13           HN       ASP  13  -6.735   4.922  -2.799
   80    HA   ASP  13           HA       ASP  13  -8.639   4.803  -4.887
   81    HB2  ASP  13           HB2      ASP  13  -6.633   3.326  -5.682
   82    HB3  ASP  13           HB1      ASP  13  -7.269   2.159  -4.527
   83    H    PHE  14           HN       PHE  14  -7.685   2.003  -2.973
   84    HA   PHE  14           HA       PHE  14  -9.411   2.556  -0.778
   85    HD1  PHE  14           HD1      PHE  14  -9.327   0.731  -4.391
   86    HD2  PHE  14           HD2      PHE  14 -11.522  -1.158  -1.271
   87    HE1  PHE  14           HE1      PHE  14  -9.134  -1.422  -5.564
   88    HE2  PHE  14           HE2      PHE  14 -11.331  -3.315  -2.438
   89    HZ   PHE  14           HZ       PHE  14 -10.135  -3.449  -4.588
   90    HB2  PHE  14           HB2      PHE  14 -11.217   1.107  -1.192
   91    HB3  PHE  14           HB1      PHE  14 -10.995   1.961  -2.715
   92    H    SER  15           HN       SER  15  -6.816   1.176  -2.036
   93    HA   SER  15           HA       SER  15  -6.842  -1.213  -0.335
   94    HG   SER  15           HG       SER  15  -3.935  -0.667  -3.105
   95    HB2  SER  15           HB2      SER  15  -4.878  -1.939  -1.582
   96    HB3  SER  15           HB1      SER  15  -6.164  -1.495  -2.706
   97    H    THR  16           HN       THR  16  -4.869  -1.699   0.903
   98    HA   THR  16           HA       THR  16  -3.809   0.749   2.130
   99    HB   THR  16           HB       THR  16  -5.024  -0.797   3.632
  100    HG1  THR  16           HG1      THR  16  -3.570  -0.510   5.230
  101   HG21  THR  16          3HG2      THR  16  -2.744  -2.708   3.124
  102   HG22  THR  16          1HG2      THR  16  -4.365  -2.892   2.456
  103   HG23  THR  16          2HG2      THR  16  -4.118  -2.956   4.201
  104    H    CYS  17           HN       CYS  17  -1.565   0.432   3.122
  105    HA   CYS  17           HA       CYS  17   0.216  -0.385   0.990
  106    HB2  CYS  17           HB2      CYS  17   0.378   1.328   3.380
  107    HB3  CYS  17           HB1      CYS  17   1.849   0.427   3.030
  108    H    CYS  18           HN       CYS  18   1.019  -2.362   0.855
  109    HA   CYS  18           HA       CYS  18   1.539  -3.853   3.341
  110    HG   CYS  18           HG       CYS  18   2.428  -6.329   0.760
  111    HB2  CYS  18           HB2      CYS  18   0.327  -5.615   2.652
  112    HB3  CYS  18           HB1      CYS  18  -0.379  -4.520   1.469
  113    H    VAL  19           HN       VAL  19   3.308  -5.318   3.293
  114    HA   VAL  19           HA       VAL  19   5.310  -4.637   1.245
  115    HB   VAL  19           HB       VAL  19   6.103  -5.998   3.776
  116   HG11  VAL  19          1HG1      VAL  19   8.166  -5.187   3.305
  117   HG12  VAL  19          2HG1      VAL  19   7.542  -3.677   2.639
  118   HG13  VAL  19          3HG1      VAL  19   7.509  -5.150   1.669
  119   HG21  VAL  19          3HG2      VAL  19   6.337  -3.252   4.286
  120   HG22  VAL  19          1HG2      VAL  19   5.297  -4.413   5.111
  121   HG23  VAL  19          2HG2      VAL  19   4.682  -3.501   3.732
  122    H    MET  20           HN       MET  20   5.198  -6.138  -0.316
  123    HA   MET  20           HA       MET  20   4.404  -8.807   0.013
  124    HB2  MET  20           HB2      MET  20   6.021  -7.456  -2.147
  125    HB3  MET  20           HB1      MET  20   5.511  -9.136  -2.242
  126    HG2  MET  20           HG2      MET  20   3.143  -8.080  -1.767
  127    HG3  MET  20           HG1      MET  20   3.909  -6.649  -2.453
  128    HE1  MET  20           HE1      MET  20   5.749  -7.513  -4.793
  129    HE2  MET  20           HE2      MET  20   4.492  -6.275  -4.813
  130    HE3  MET  20           HE3      MET  20   4.553  -7.489  -6.090
  131    H    VAL  21           HN       VAL  21   5.801 -10.718  -0.530
  132    HA   VAL  21           HA       VAL  21   7.965 -10.843   1.337
  133    HB   VAL  21           HB       VAL  21   7.323 -12.962  -0.701
  134   HG11  VAL  21          1HG1      VAL  21   8.970 -12.761   1.685
  135   HG12  VAL  21          2HG1      VAL  21   8.991 -13.962   0.393
  136   HG13  VAL  21          3HG1      VAL  21   7.861 -14.131   1.737
  137   HG21  VAL  21          3HG2      VAL  21   6.015 -13.383   1.829
  138   HG22  VAL  21          1HG2      VAL  21   5.336 -13.390   0.201
  139   HG23  VAL  21          2HG2      VAL  21   5.476 -11.875   1.093
  140    H    ASP  22           HN       ASP  22   7.698 -10.199  -2.033
  141    HA   ASP  22           HA       ASP  22  10.135 -11.084  -3.022
  142    HB2  ASP  22           HB2      ASP  22   8.441  -8.696  -3.744
  143    HB3  ASP  22           HB1      ASP  22   9.905  -9.112  -4.629
  144    H    GLY  23           HN       GLY  23   9.392  -7.824  -1.757
  145    HA2  GLY  23           HA2      GLY  23  11.239  -7.202  -0.043
  146    HA3  GLY  23           HA1      GLY  23  12.279  -7.363  -1.450
  147    H    SER  24           HN       SER  24   9.033  -6.088  -1.660
  148    HA   SER  24           HA       SER  24   9.988  -3.340  -1.675
  149    HG   SER  24           HG       SER  24   8.780  -5.756  -3.708
  150    HB2  SER  24           HB2      SER  24   8.504  -3.256  -3.954
  151    HB3  SER  24           HB1      SER  24  10.261  -3.412  -3.928
  152    H    TRP  25           HN       TRP  25   8.087  -1.814  -2.114
  153    HA   TRP  25           HA       TRP  25   5.892  -2.678  -0.413
  154    HD1  TRP  25           HD1      TRP  25   8.969  -0.427   0.084
  155    HE1  TRP  25           HE1      TRP  25   9.268  -0.129   2.623
  156    HE3  TRP  25           HE3      TRP  25   4.052  -0.389   1.479
  157    HZ2  TRP  25           HZ2      TRP  25   7.633   0.091   4.914
  158    HZ3  TRP  25           HZ3      TRP  25   3.504  -0.130   3.864
  159    HH2  TRP  25           HH2      TRP  25   5.258   0.105   5.545
  160    HB2  TRP  25           HB2      TRP  25   6.782  -0.012  -1.492
  161    HB3  TRP  25           HB1      TRP  25   5.210  -0.208  -0.721
  162    H    GLY  26           HN       GLY  26   3.702  -2.566  -0.987
  163    HA2  GLY  26           HA2      GLY  26   2.981  -1.966  -3.735
  164    HA3  GLY  26           HA1      GLY  26   2.833  -3.657  -3.279
  165    H    CYS  27           HN       CYS  27   0.758  -1.754  -4.087
  166    HA   CYS  27           HA       CYS  27  -0.762  -1.230  -1.675
  167    HB2  CYS  27           HB2      CYS  27  -1.371  -0.785  -4.602
  168    HB3  CYS  27           HB1      CYS  27  -2.487  -0.379  -3.302
  169    H    CYS  28           HN       CYS  28  -1.814  -2.841  -0.727
  170    HA   CYS  28           HA       CYS  28  -3.166  -4.826  -2.437
  171    HG   CYS  28           HG       CYS  28  -0.259  -7.194  -1.219
  172    HB2  CYS  28           HB2      CYS  28  -1.418  -5.165  -0.084
  173    HB3  CYS  28           HB1      CYS  28  -2.881  -6.145  -0.076
  174    HA   PRO  29           HA       PRO  29  -7.008  -3.424  -0.742
  175    HB2  PRO  29           HB2      PRO  29  -7.731  -6.312  -0.852
  176    HB3  PRO  29           HB1      PRO  29  -8.588  -4.911  -1.505
  177    HG2  PRO  29           HG2      PRO  29  -7.226  -6.536  -3.112
  178    HG3  PRO  29           HG1      PRO  29  -7.223  -4.783  -3.376
  179    HD2  PRO  29           HD2      PRO  29  -5.101  -6.531  -2.216
  180    HD3  PRO  29           HD1      PRO  29  -4.941  -5.094  -3.246
  181    H    MET  30           HN       MET  30  -8.168  -3.451   1.186
  182    HA   MET  30           HA       MET  30  -7.033  -5.128   3.327
  183    HB2  MET  30           HB2      MET  30  -7.916  -3.109   4.780
  184    HB3  MET  30           HB1      MET  30  -6.337  -3.046   4.009
  185    HG2  MET  30           HG2      MET  30  -7.030  -1.544   2.404
  186    HG3  MET  30           HG1      MET  30  -8.729  -1.979   2.583
  187    HE1  MET  30           HE1      MET  30  -6.219   0.648   3.132
  188    HE2  MET  30           HE2      MET  30  -7.292   1.820   3.899
  189    HE3  MET  30           HE3      MET  30  -7.764   1.051   2.382
  190    HA   PRO  31           HA       PRO  31 -11.198  -6.847   3.334
  191    HB2  PRO  31           HB2      PRO  31 -10.187  -7.782   5.983
  192    HB3  PRO  31           HB1      PRO  31 -11.005  -8.690   4.706
  193    HG2  PRO  31           HG2      PRO  31  -8.383  -8.933   5.058
  194    HG3  PRO  31           HG1      PRO  31  -9.077  -8.883   3.426
  195    HD2  PRO  31           HD2      PRO  31  -7.604  -6.767   4.927
  196    HD3  PRO  31           HD1      PRO  31  -7.591  -7.138   3.191
  197    H    GLN  32           HN       GLN  32 -12.657  -5.258   3.669
  198    HA   GLN  32           HA       GLN  32 -12.662  -3.745   6.149
  199    HB2  GLN  32           HB2      GLN  32 -13.068  -2.655   3.940
  200    HB3  GLN  32           HB1      GLN  32 -14.564  -3.569   3.806
  201    HG2  GLN  32           HG2      GLN  32 -15.557  -1.847   4.784
  202    HG3  GLN  32           HG1      GLN  32 -14.769  -2.360   6.276
  203   HE21  GLN  32          1HE2      GLN  32 -15.520   0.313   5.078
  204   HE22  GLN  32          2HE2      GLN  32 -14.075   1.252   5.204
  Start of MODEL    9
    1    H    ALA   1           HT1      ALA   1  -7.041   7.832  -1.434
    2    HA   ALA   1           HA       ALA   1  -4.903   7.187  -1.555
    3    HB1  ALA   1           HB1      ALA   1  -3.948   8.484  -3.134
    4    HB2  ALA   1           HB2      ALA   1  -4.081   9.951  -2.164
    5    HB3  ALA   1           HB3      ALA   1  -5.484   9.347  -3.045
    6    H    ILE   2           HN       ILE   2  -4.027   6.582   0.375
    7    HA   ILE   2           HA       ILE   2  -2.891   8.635   2.122
    8    HB   ILE   2           HB       ILE   2  -2.701   5.726   2.760
    9   HG12  ILE   2          2HG1      ILE   2  -5.122   6.735   3.868
   10   HG13  ILE   2          1HG1      ILE   2  -5.170   7.018   2.132
   11   HG21  ILE   2          1HG2      ILE   2  -1.810   6.791   4.528
   12   HG22  ILE   2          2HG2      ILE   2  -3.493   7.013   5.004
   13   HG23  ILE   2          3HG2      ILE   2  -2.637   8.307   4.165
   14   HD11  ILE   2          3HD1      ILE   2  -4.894   4.709   1.668
   15   HD12  ILE   2          1HD1      ILE   2  -6.154   4.854   2.894
   16   HD13  ILE   2          2HD1      ILE   2  -4.527   4.352   3.356
   17    H    GLN   3           HN       GLN   3  -0.703   8.493   2.869
   18    HA   GLN   3           HA       GLN   3   1.078   7.102   0.978
   19    HB2  GLN   3           HB2      GLN   3   1.449   9.777   2.332
   20    HB3  GLN   3           HB1      GLN   3   2.709   8.951   1.425
   21    HG2  GLN   3           HG2      GLN   3   1.930   9.726  -0.494
   22    HG3  GLN   3           HG1      GLN   3   0.307   9.137  -0.140
   23   HE21  GLN   3          1HE2      GLN   3  -1.161  10.664  -0.203
   24   HE22  GLN   3          2HE2      GLN   3  -0.942  12.317   0.248
   25    H    CYS   4           HN       CYS   4   2.376   5.630   1.833
   26    HA   CYS   4           HA       CYS   4   2.412   5.082   4.612
   27    HB2  CYS   4           HB2      CYS   4   3.339   3.832   2.198
   28    HB3  CYS   4           HB1      CYS   4   4.623   3.800   3.401
   29    HA   PRO   5           HA       PRO   5   5.569   7.880   5.976
   30    HB2  PRO   5           HB2      PRO   5   6.124   5.898   8.092
   31    HB3  PRO   5           HB1      PRO   5   5.590   7.575   8.235
   32    HG2  PRO   5           HG2      PRO   5   3.933   5.535   8.751
   33    HG3  PRO   5           HG1      PRO   5   3.358   7.026   7.980
   34    HD2  PRO   5           HD2      PRO   5   3.986   4.372   6.743
   35    HD3  PRO   5           HD1      PRO   5   2.642   5.484   6.404
   36    H    ASP   6           HN       ASP   6   6.181   4.509   5.355
   37    HA   ASP   6           HA       ASP   6   9.036   4.709   5.627
   38    HB2  ASP   6           HB2      ASP   6   7.324   2.545   4.386
   39    HB3  ASP   6           HB1      ASP   6   9.052   2.416   4.703
   40    H    SER   7           HN       SER   7   7.467   3.379   2.763
   41    HA   SER   7           HA       SER   7   9.439   4.401   1.020
   42    HG   SER   7           HG       SER   7   8.936   4.006  -1.167
   43    HB2  SER   7           HB2      SER   7   8.131   2.362   0.541
   44    HB3  SER   7           HB1      SER   7   6.681   3.347   0.346
   45    H    GLN   8           HN       GLN   8   8.692   5.633  -1.047
   46    HA   GLN   8           HA       GLN   8   7.248   8.035  -0.144
   47    HB2  GLN   8           HB2      GLN   8   9.764   7.659  -1.524
   48    HB3  GLN   8           HB1      GLN   8   8.685   8.681  -2.460
   49    HG2  GLN   8           HG2      GLN   8   9.119  10.404  -1.153
   50    HG3  GLN   8           HG1      GLN   8   8.605   9.499   0.271
   51   HE21  GLN   8          1HE2      GLN   8  11.296  10.474  -1.696
   52   HE22  GLN   8          2HE2      GLN   8  12.537  10.027  -0.580
   53    H    PHE   9           HN       PHE   9   5.569   6.136  -0.941
   54    HA   PHE   9           HA       PHE   9   4.612   7.158  -3.508
   55    HD1  PHE   9           HD1      PHE   9   5.527   4.257  -1.057
   56    HD2  PHE   9           HD2      PHE   9   3.199   3.050  -4.409
   57    HE1  PHE   9           HE1      PHE   9   4.835   2.233   0.156
   58    HE2  PHE   9           HE2      PHE   9   2.502   1.024  -3.200
   59    HZ   PHE   9           HZ       PHE   9   3.321   0.613  -0.915
   60    HB2  PHE   9           HB2      PHE   9   4.293   5.052  -4.495
   61    HB3  PHE   9           HB1      PHE   9   5.892   4.943  -3.770
   62    H    GLU  10           HN       GLU  10   2.326   6.727  -3.888
   63    HA   GLU  10           HA       GLU  10   0.846   6.480  -1.354
   64    HB2  GLU  10           HB2      GLU  10  -0.943   7.790  -2.549
   65    HB3  GLU  10           HB1      GLU  10   0.544   8.673  -2.233
   66    HG2  GLU  10           HG2      GLU  10   0.370   7.303  -4.838
   67    HG3  GLU  10           HG1      GLU  10  -0.712   8.674  -4.596
   68    H    CYS  11           HN       CYS  11  -1.559   5.870  -1.836
   69    HA   CYS  11           HA       CYS  11  -1.753   3.818  -3.907
   70    HB2  CYS  11           HB2      CYS  11  -1.087   2.437  -2.133
   71    HB3  CYS  11           HB1      CYS  11  -2.005   3.355  -0.948
   72    HA   PRO  12           HA       PRO  12  -5.747   5.826  -4.011
   73    HB2  PRO  12           HB2      PRO  12  -6.584   4.851  -6.351
   74    HB3  PRO  12           HB1      PRO  12  -5.262   6.021  -6.270
   75    HG2  PRO  12           HG2      PRO  12  -5.150   3.060  -6.648
   76    HG3  PRO  12           HG1      PRO  12  -4.185   4.326  -7.426
   77    HD2  PRO  12           HD2      PRO  12  -3.357   2.785  -5.272
   78    HD3  PRO  12           HD1      PRO  12  -2.663   4.351  -5.732
   79    H    ASP  13           HN       ASP  13  -8.047   4.947  -4.777
   80    HA   ASP  13           HA       ASP  13  -9.852   3.688  -4.207
   81    HB2  ASP  13           HB2      ASP  13  -7.926   1.359  -4.291
   82    HB3  ASP  13           HB1      ASP  13  -9.676   1.289  -4.470
   83    H    PHE  14           HN       PHE  14 -10.210   1.455  -2.647
   84    HA   PHE  14           HA       PHE  14  -9.583   2.526  -0.005
   85    HD1  PHE  14           HD1      PHE  14 -11.184  -1.293  -1.332
   86    HD2  PHE  14           HD2      PHE  14 -13.004   2.529  -1.764
   87    HE1  PHE  14           HE1      PHE  14 -12.452  -2.119  -3.274
   88    HE2  PHE  14           HE2      PHE  14 -14.276   1.710  -3.704
   89    HZ   PHE  14           HZ       PHE  14 -14.001  -0.617  -4.462
   90    HB2  PHE  14           HB2      PHE  14 -11.182   0.383   0.491
   91    HB3  PHE  14           HB1      PHE  14 -11.778   2.011   0.190
   92    H    SER  15           HN       SER  15  -7.288   1.728  -0.746
   93    HA   SER  15           HA       SER  15  -6.913  -0.927   0.463
   94    HG   SER  15           HG       SER  15  -5.814  -0.165  -3.273
   95    HB2  SER  15           HB2      SER  15  -4.801  -0.827  -1.222
   96    HB3  SER  15           HB1      SER  15  -6.341  -1.577  -1.642
   97    H    THR  16           HN       THR  16  -4.337  -1.167   0.760
   98    HA   THR  16           HA       THR  16  -3.278   1.321   1.896
   99    HB   THR  16           HB       THR  16  -4.403  -0.083   3.688
  100    HG1  THR  16           HG1      THR  16  -3.018   1.183   4.688
  101   HG21  THR  16          3HG2      THR  16  -2.798  -2.112   2.517
  102   HG22  THR  16          1HG2      THR  16  -3.912  -2.245   3.879
  103   HG23  THR  16          2HG2      THR  16  -2.217  -1.845   4.161
  104    H    CYS  17           HN       CYS  17  -0.911   0.955   2.605
  105    HA   CYS  17           HA       CYS  17   0.452  -0.258   0.355
  106    HB2  CYS  17           HB2      CYS  17   2.471   0.633   1.924
  107    HB3  CYS  17           HB1      CYS  17   1.615   1.643   0.765
  108    H    CYS  18           HN       CYS  18   0.589  -2.412   0.460
  109    HA   CYS  18           HA       CYS  18   1.309  -3.689   2.993
  110    HG   CYS  18           HG       CYS  18  -1.556  -6.115   2.532
  111    HB2  CYS  18           HB2      CYS  18  -0.461  -4.392   0.948
  112    HB3  CYS  18           HB1      CYS  18   0.893  -5.503   0.768
  113    H    VAL  19           HN       VAL  19   2.895  -5.478   2.920
  114    HA   VAL  19           HA       VAL  19   5.163  -4.746   1.194
  115    HB   VAL  19           HB       VAL  19   5.471  -6.499   3.599
  116   HG11  VAL  19          1HG1      VAL  19   7.607  -4.923   3.597
  117   HG12  VAL  19          2HG1      VAL  19   7.172  -4.765   1.895
  118   HG13  VAL  19          3HG1      VAL  19   7.500  -6.358   2.578
  119   HG21  VAL  19          3HG2      VAL  19   4.396  -4.845   4.761
  120   HG22  VAL  19          1HG2      VAL  19   4.838  -3.591   3.602
  121   HG23  VAL  19          2HG2      VAL  19   6.034  -4.192   4.749
  122    H    MET  20           HN       MET  20   5.642  -6.073  -0.415
  123    HA   MET  20           HA       MET  20   4.370  -8.593  -0.749
  124    HB2  MET  20           HB2      MET  20   6.375  -6.988  -2.251
  125    HB3  MET  20           HB1      MET  20   6.285  -8.708  -2.606
  126    HG2  MET  20           HG2      MET  20   3.710  -8.197  -2.776
  127    HG3  MET  20           HG1      MET  20   4.292  -6.562  -3.090
  128    HE1  MET  20           HE1      MET  20   3.051  -9.062  -5.998
  129    HE2  MET  20           HE2      MET  20   3.082  -7.313  -6.221
  130    HE3  MET  20           HE3      MET  20   2.501  -8.000  -4.702
  131    H    VAL  21           HN       VAL  21   5.762 -10.563  -1.376
  132    HA   VAL  21           HA       VAL  21   7.238 -11.329   0.947
  133    HB   VAL  21           HB       VAL  21   7.680 -13.444  -0.395
  134   HG11  VAL  21          1HG1      VAL  21   5.143 -12.398   0.620
  135   HG12  VAL  21          2HG1      VAL  21   5.961 -13.923   0.959
  136   HG13  VAL  21          3HG1      VAL  21   4.971 -13.756  -0.492
  137   HG21  VAL  21          3HG2      VAL  21   7.527 -12.799  -2.630
  138   HG22  VAL  21          1HG2      VAL  21   6.038 -11.892  -2.366
  139   HG23  VAL  21          2HG2      VAL  21   6.012 -13.655  -2.345
  140    H    ASP  22           HN       ASP  22   8.067 -10.344  -2.316
  141    HA   ASP  22           HA       ASP  22  10.795 -11.124  -2.217
  142    HB2  ASP  22           HB2      ASP  22   9.047  -9.966  -4.120
  143    HB3  ASP  22           HB1      ASP  22  10.411  -8.866  -3.950
  144    H    GLY  23           HN       GLY  23   9.037  -8.404  -1.004
  145    HA2  GLY  23           HA2      GLY  23  10.126  -7.181   0.823
  146    HA3  GLY  23           HA1      GLY  23  11.593  -7.195  -0.145
  147    H    SER  24           HN       SER  24   9.323  -6.715  -2.377
  148    HA   SER  24           HA       SER  24   9.856  -3.893  -2.533
  149    HG   SER  24           HG       SER  24  10.654  -5.339  -4.856
  150    HB2  SER  24           HB2      SER  24   7.900  -5.332  -4.305
  151    HB3  SER  24           HB1      SER  24   8.966  -3.982  -4.695
  152    H    TRP  25           HN       TRP  25   8.072  -2.322  -2.942
  153    HA   TRP  25           HA       TRP  25   6.026  -2.669  -0.897
  154    HD1  TRP  25           HD1      TRP  25   9.161  -0.028  -0.634
  155    HE1  TRP  25           HE1      TRP  25   9.310   0.327   1.911
  156    HE3  TRP  25           HE3      TRP  25   4.276  -0.902   0.593
  157    HZ2  TRP  25           HZ2      TRP  25   7.582   0.246   4.145
  158    HZ3  TRP  25           HZ3      TRP  25   3.606  -0.744   2.955
  159    HH2  TRP  25           HH2      TRP  25   5.225  -0.182   4.693
  160    HB2  TRP  25           HB2      TRP  25   7.229  -0.343  -2.320
  161    HB3  TRP  25           HB1      TRP  25   5.591  -0.170  -1.699
  162    H    GLY  26           HN       GLY  26   3.914  -2.946  -1.286
  163    HA2  GLY  26           HA2      GLY  26   2.832  -2.346  -3.936
  164    HA3  GLY  26           HA1      GLY  26   2.749  -4.018  -3.398
  165    H    CYS  27           HN       CYS  27   0.932  -1.377  -3.725
  166    HA   CYS  27           HA       CYS  27  -0.452  -1.497  -1.177
  167    HB2  CYS  27           HB2      CYS  27  -0.838   0.639  -1.700
  168    HB3  CYS  27           HB1      CYS  27  -0.239   0.398  -3.335
  169    H    CYS  28           HN       CYS  28  -2.224  -2.642  -0.762
  170    HA   CYS  28           HA       CYS  28  -3.924  -3.573  -2.941
  171    HG   CYS  28           HG       CYS  28  -4.013  -6.796  -0.166
  172    HB2  CYS  28           HB2      CYS  28  -3.685  -5.851  -2.545
  173    HB3  CYS  28           HB1      CYS  28  -2.035  -5.273  -2.346
  174    HA   PRO  29           HA       PRO  29  -7.228  -2.773  -0.140
  175    HB2  PRO  29           HB2      PRO  29  -8.896  -4.905  -0.669
  176    HB3  PRO  29           HB1      PRO  29  -8.793  -3.443  -1.654
  177    HG2  PRO  29           HG2      PRO  29  -7.498  -6.105  -2.072
  178    HG3  PRO  29           HG1      PRO  29  -8.251  -5.025  -3.261
  179    HD2  PRO  29           HD2      PRO  29  -5.588  -5.172  -3.002
  180    HD3  PRO  29           HD1      PRO  29  -6.398  -3.629  -3.351
  181    H    MET  30           HN       MET  30  -8.121  -3.402   1.843
  182    HA   MET  30           HA       MET  30  -6.723  -5.643   3.128
  183    HB2  MET  30           HB2      MET  30  -7.833  -3.051   4.130
  184    HB3  MET  30           HB1      MET  30  -7.680  -4.404   5.241
  185    HG2  MET  30           HG2      MET  30  -5.538  -2.881   3.820
  186    HG3  MET  30           HG1      MET  30  -5.714  -3.223   5.540
  187    HE1  MET  30           HE1      MET  30  -4.193  -4.608   6.641
  188    HE2  MET  30           HE2      MET  30  -3.689  -6.226   6.152
  189    HE3  MET  30           HE3      MET  30  -5.386  -5.900   6.502
  190    HA   PRO  31           HA       PRO  31 -10.633  -7.784   3.217
  191    HB2  PRO  31           HB2      PRO  31  -9.883  -9.877   4.746
  192    HB3  PRO  31           HB1      PRO  31  -9.366  -9.705   3.064
  193    HG2  PRO  31           HG2      PRO  31  -7.877  -9.045   5.579
  194    HG3  PRO  31           HG1      PRO  31  -7.299  -9.878   4.124
  195    HD2  PRO  31           HD2      PRO  31  -6.811  -7.251   4.607
  196    HD3  PRO  31           HD1      PRO  31  -6.990  -7.911   2.968
  197    H    GLN  32           HN       GLN  32 -11.458  -9.326   5.381
  198    HA   GLN  32           HA       GLN  32 -11.625  -7.432   7.622
  199    HB2  GLN  32           HB2      GLN  32 -14.020  -7.795   7.823
  200    HB3  GLN  32           HB1      GLN  32 -13.641  -7.168   6.225
  201    HG2  GLN  32           HG2      GLN  32 -14.949  -8.813   5.487
  202    HG3  GLN  32           HG1      GLN  32 -13.557  -9.852   5.791
  203   HE21  GLN  32          1HE2      GLN  32 -13.772 -11.467   7.194
  204   HE22  GLN  32          2HE2      GLN  32 -15.118 -11.702   8.250
  Start of MODEL   10
    1    H    ALA   1           HT1      ALA   1  -6.570   9.847   1.270
    2    HA   ALA   1           HA       ALA   1  -5.292   8.035  -0.442
    3    HB1  ALA   1           HB1      ALA   1  -4.979  10.345  -1.639
    4    HB2  ALA   1           HB2      ALA   1  -3.628   9.221  -1.488
    5    HB3  ALA   1           HB3      ALA   1  -3.762  10.591  -0.386
    6    H    ILE   2           HN       ILE   2  -3.804   6.971   0.758
    7    HA   ILE   2           HA       ILE   2  -3.109   8.149   3.370
    8    HB   ILE   2           HB       ILE   2  -2.821   5.241   3.141
    9   HG12  ILE   2          2HG1      ILE   2  -5.562   5.522   3.684
   10   HG13  ILE   2          1HG1      ILE   2  -5.274   6.474   2.232
   11   HG21  ILE   2          1HG2      ILE   2  -4.437   5.780   5.277
   12   HG22  ILE   2          2HG2      ILE   2  -3.520   7.279   5.113
   13   HG23  ILE   2          3HG2      ILE   2  -2.675   5.744   5.315
   14   HD11  ILE   2          3HD1      ILE   2  -4.295   3.655   2.490
   15   HD12  ILE   2          1HD1      ILE   2  -4.527   4.617   1.029
   16   HD13  ILE   2          2HD1      ILE   2  -5.926   4.038   1.935
   17    H    GLN   3           HN       GLN   3  -1.126   9.000   3.032
   18    HA   GLN   3           HA       GLN   3   0.863   7.746   1.408
   19    HB2  GLN   3           HB2      GLN   3   0.479  10.285   2.333
   20    HB3  GLN   3           HB1      GLN   3   1.771   9.728   3.387
   21    HG2  GLN   3           HG2      GLN   3   3.293   9.827   1.765
   22    HG3  GLN   3           HG1      GLN   3   2.217   9.079   0.584
   23   HE21  GLN   3          1HE2      GLN   3   3.912  11.779   1.224
   24   HE22  GLN   3          2HE2      GLN   3   2.993  12.937   0.331
   25    H    CYS   4           HN       CYS   4   1.189   5.678   2.235
   26    HA   CYS   4           HA       CYS   4   1.779   5.148   4.959
   27    HB2  CYS   4           HB2      CYS   4   2.817   2.995   3.789
   28    HB3  CYS   4           HB1      CYS   4   1.077   3.224   3.931
   29    HA   PRO   5           HA       PRO   5   5.984   6.576   5.139
   30    HB2  PRO   5           HB2      PRO   5   6.281   4.587   7.309
   31    HB3  PRO   5           HB1      PRO   5   6.521   6.336   7.347
   32    HG2  PRO   5           HG2      PRO   5   4.399   5.212   8.517
   33    HG3  PRO   5           HG1      PRO   5   4.271   6.771   7.682
   34    HD2  PRO   5           HD2      PRO   5   3.449   4.046   6.746
   35    HD3  PRO   5           HD1      PRO   5   2.609   5.601   6.563
   36    H    ASP   6           HN       ASP   6   8.179   5.741   4.995
   37    HA   ASP   6           HA       ASP   6   9.788   4.445   4.055
   38    HB2  ASP   6           HB2      ASP   6   8.015   2.493   5.413
   39    HB3  ASP   6           HB1      ASP   6   9.142   1.837   4.230
   40    H    SER   7           HN       SER   7   7.054   5.065   2.632
   41    HA   SER   7           HA       SER   7   7.583   3.326   0.311
   42    HG   SER   7           HG       SER   7   4.924   4.992  -0.632
   43    HB2  SER   7           HB2      SER   7   5.447   2.657   0.895
   44    HB3  SER   7           HB1      SER   7   5.010   4.243   1.529
   45    H    GLN   8           HN       GLN   8   7.476   4.263  -1.754
   46    HA   GLN   8           HA       GLN   8   7.939   7.154  -1.746
   47    HB2  GLN   8           HB2      GLN   8   9.255   5.040  -2.994
   48    HB3  GLN   8           HB1      GLN   8   8.367   5.824  -4.292
   49    HG2  GLN   8           HG2      GLN   8  10.151   7.158  -4.418
   50    HG3  GLN   8           HG1      GLN   8   9.442   7.966  -3.021
   51   HE21  GLN   8          1HE2      GLN   8  11.653   5.361  -3.925
   52   HE22  GLN   8          2HE2      GLN   8  12.698   5.534  -2.559
   53    H    PHE   9           HN       PHE   9   5.959   4.681  -3.312
   54    HA   PHE   9           HA       PHE   9   4.530   6.676  -4.863
   55    HD1  PHE   9           HD2      PHE   9   3.628   2.964  -3.129
   56    HD2  PHE   9           HD1      PHE   9   6.292   3.424  -6.415
   57    HE1  PHE   9           HE2      PHE   9   4.789   0.896  -2.473
   58    HE2  PHE   9           HE1      PHE   9   7.457   1.357  -5.765
   59    HZ   PHE   9           HZ       PHE   9   6.707   0.091  -3.792
   60    HB2  PHE   9           HB2      PHE   9   3.114   4.384  -5.246
   61    HB3  PHE   9           HB1      PHE   9   4.506   4.863  -6.210
   62    H    GLU  10           HN       GLU  10   2.359   7.194  -4.647
   63    HA   GLU  10           HA       GLU  10   1.287   6.785  -1.955
   64    HB2  GLU  10           HB2      GLU  10   0.355   8.698  -4.102
   65    HB3  GLU  10           HB1      GLU  10  -0.172   8.672  -2.425
   66    HG2  GLU  10           HG2      GLU  10   1.465  10.048  -1.879
   67    HG3  GLU  10           HG1      GLU  10   2.655   8.878  -2.447
   68    H    CYS  11           HN       CYS  11  -0.574   5.722  -1.553
   69    HA   CYS  11           HA       CYS  11  -1.939   4.501  -3.858
   70    HB2  CYS  11           HB2      CYS  11  -1.869   3.514  -1.003
   71    HB3  CYS  11           HB1      CYS  11  -2.554   2.675  -2.391
   72    HA   PRO  12           HA       PRO  12  -5.573   6.701  -2.581
   73    HB2  PRO  12           HB2      PRO  12  -7.392   5.534  -4.145
   74    HB3  PRO  12           HB1      PRO  12  -6.083   6.500  -4.837
   75    HG2  PRO  12           HG2      PRO  12  -6.345   3.528  -4.639
   76    HG3  PRO  12           HG1      PRO  12  -5.739   4.512  -5.983
   77    HD2  PRO  12           HD2      PRO  12  -4.145   3.214  -4.127
   78    HD3  PRO  12           HD1      PRO  12  -3.633   4.598  -5.111
   79    H    ASP  13           HN       ASP  13  -8.031   6.048  -2.142
   80    HA   ASP  13           HA       ASP  13  -7.970   4.381   0.184
   81    HB2  ASP  13           HB2      ASP  13  -9.371   6.470  -0.100
   82    HB3  ASP  13           HB1      ASP  13 -10.416   5.532  -1.162
   83    H    PHE  14           HN       PHE  14  -8.154   3.642  -3.020
   84    HA   PHE  14           HA       PHE  14 -10.169   1.611  -2.972
   85    HD1  PHE  14           HD1      PHE  14  -9.665   4.477  -5.149
   86    HD2  PHE  14           HD2      PHE  14 -10.966   0.482  -5.825
   87    HE1  PHE  14           HE1      PHE  14 -11.668   5.327  -6.295
   88    HE2  PHE  14           HE2      PHE  14 -12.972   1.326  -6.972
   89    HZ   PHE  14           HZ       PHE  14 -13.325   3.752  -7.209
   90    HB2  PHE  14           HB2      PHE  14  -8.144   2.585  -4.916
   91    HB3  PHE  14           HB1      PHE  14  -8.720   0.935  -5.125
   92    H    SER  15           HN       SER  15  -6.888   1.779  -1.996
   93    HA   SER  15           HA       SER  15  -6.951  -0.982  -1.156
   94    HG   SER  15           HG       SER  15  -5.380  -0.328  -4.592
   95    HB2  SER  15           HB2      SER  15  -4.510  -1.104  -2.311
   96    HB3  SER  15           HB1      SER  15  -5.982  -1.687  -3.091
   97    H    THR  16           HN       THR  16  -5.314  -1.513   0.356
   98    HA   THR  16           HA       THR  16  -4.212   0.832   1.714
   99    HB   THR  16           HB       THR  16  -5.597  -0.917   2.946
  100    HG1  THR  16           HG1      THR  16  -2.961  -0.397   3.905
  101   HG21  THR  16          3HG2      THR  16  -4.945  -3.054   3.037
  102   HG22  THR  16          1HG2      THR  16  -3.308  -2.597   3.506
  103   HG23  THR  16          2HG2      THR  16  -3.750  -2.667   1.800
  104    H    CYS  17           HN       CYS  17  -2.043   0.485   2.801
  105    HA   CYS  17           HA       CYS  17  -0.148  -0.340   0.774
  106    HB2  CYS  17           HB2      CYS  17  -0.162   1.668   2.662
  107    HB3  CYS  17           HB1      CYS  17   0.953   0.495   3.354
  108    H    CYS  18           HN       CYS  18   0.517  -2.366   0.647
  109    HA   CYS  18           HA       CYS  18   0.779  -3.927   3.133
  110    HG   CYS  18           HG       CYS  18  -1.065  -7.169   1.984
  111    HB2  CYS  18           HB2      CYS  18  -0.610  -4.514   0.718
  112    HB3  CYS  18           HB1      CYS  18   0.747  -5.629   0.841
  113    H    VAL  19           HN       VAL  19   2.517  -5.516   3.179
  114    HA   VAL  19           HA       VAL  19   4.877  -4.530   1.734
  115    HB   VAL  19           HB       VAL  19   5.020  -6.433   4.049
  116   HG11  VAL  19          1HG1      VAL  19   7.214  -5.693   4.270
  117   HG12  VAL  19          2HG1      VAL  19   6.903  -4.199   3.386
  118   HG13  VAL  19          3HG1      VAL  19   6.977  -5.735   2.523
  119   HG21  VAL  19          3HG2      VAL  19   5.124  -3.474   4.485
  120   HG22  VAL  19          1HG2      VAL  19   4.846  -4.769   5.650
  121   HG23  VAL  19          2HG2      VAL  19   3.577  -4.322   4.510
  122    H    MET  20           HN       MET  20   6.096  -5.840   0.458
  123    HA   MET  20           HA       MET  20   4.963  -8.472  -0.149
  124    HB2  MET  20           HB2      MET  20   6.522  -6.461  -1.690
  125    HB3  MET  20           HB1      MET  20   6.743  -8.153  -2.110
  126    HG2  MET  20           HG2      MET  20   4.040  -7.992  -1.998
  127    HG3  MET  20           HG1      MET  20   4.459  -6.376  -2.561
  128    HE1  MET  20           HE1      MET  20   3.034  -6.795  -4.477
  129    HE2  MET  20           HE2      MET  20   3.588  -7.534  -5.979
  130    HE3  MET  20           HE3      MET  20   4.390  -6.091  -5.358
  131    H    VAL  21           HN       VAL  21   6.139 -10.340  -0.061
  132    HA   VAL  21           HA       VAL  21   8.308 -10.433   1.770
  133    HB   VAL  21           HB       VAL  21   8.460 -12.861   0.997
  134   HG11  VAL  21          1HG1      VAL  21   6.490 -13.499   2.240
  135   HG12  VAL  21          2HG1      VAL  21   5.785 -11.902   2.004
  136   HG13  VAL  21          3HG1      VAL  21   7.229 -12.089   2.997
  137   HG21  VAL  21          3HG2      VAL  21   7.540 -12.711  -1.194
  138   HG22  VAL  21          1HG2      VAL  21   6.064 -11.961  -0.590
  139   HG23  VAL  21          2HG2      VAL  21   6.410 -13.649  -0.217
  140    H    ASP  22           HN       ASP  22   8.101 -10.156  -1.671
  141    HA   ASP  22           HA       ASP  22  10.525 -11.227  -2.495
  142    HB2  ASP  22           HB2      ASP  22   8.676 -10.318  -3.962
  143    HB3  ASP  22           HB1      ASP  22   9.301  -8.706  -3.625
  144    H    GLY  23           HN       GLY  23   9.836  -7.885  -1.461
  145    HA2  GLY  23           HA2      GLY  23  11.758  -7.174   0.133
  146    HA3  GLY  23           HA1      GLY  23  12.731  -7.397  -1.312
  147    H    SER  24           HN       SER  24   9.495  -5.986  -0.940
  148    HA   SER  24           HA       SER  24  10.424  -3.301  -1.270
  149    HG   SER  24           HG       SER  24  11.292  -3.149  -4.037
  150    HB2  SER  24           HB2      SER  24  10.048  -4.794  -3.638
  151    HB3  SER  24           HB1      SER  24   8.668  -3.704  -3.515
  152    H    TRP  25           HN       TRP  25   8.412  -1.843  -1.817
  153    HA   TRP  25           HA       TRP  25   6.331  -2.668   0.054
  154    HD1  TRP  25           HD1      TRP  25   9.047  -0.186   1.082
  155    HE1  TRP  25           HE1      TRP  25   8.726   0.072   3.623
  156    HE3  TRP  25           HE3      TRP  25   3.962  -0.652   1.308
  157    HZ2  TRP  25           HZ2      TRP  25   6.598   0.078   5.477
  158    HZ3  TRP  25           HZ3      TRP  25   2.861  -0.507   3.504
  159    HH2  TRP  25           HH2      TRP  25   4.153  -0.149   5.544
  160    HB2  TRP  25           HB2      TRP  25   7.364  -0.083  -0.961
  161    HB3  TRP  25           HB1      TRP  25   5.639  -0.143  -0.606
  162    H    GLY  26           HN       GLY  26   4.088  -2.456  -0.439
  163    HA2  GLY  26           HA2      GLY  26   3.357  -2.191  -3.254
  164    HA3  GLY  26           HA1      GLY  26   3.037  -3.744  -2.496
  165    H    CYS  27           HN       CYS  27   0.848  -2.811  -3.385
  166    HA   CYS  27           HA       CYS  27  -0.603  -1.911  -1.039
  167    HB2  CYS  27           HB2      CYS  27  -0.174  -0.241  -3.449
  168    HB3  CYS  27           HB1      CYS  27  -1.815  -0.272  -2.809
  169    H    CYS  28           HN       CYS  28  -2.489  -2.942  -0.866
  170    HA   CYS  28           HA       CYS  28  -3.859  -3.896  -3.262
  171    HG   CYS  28           HG       CYS  28  -4.473  -6.575  -4.030
  172    HB2  CYS  28           HB2      CYS  28  -2.294  -5.594  -1.583
  173    HB3  CYS  28           HB1      CYS  28  -3.989  -6.015  -1.365
  174    HA   PRO  29           HA       PRO  29  -7.646  -2.738  -1.351
  175    HB2  PRO  29           HB2      PRO  29  -9.019  -5.195  -1.597
  176    HB3  PRO  29           HB1      PRO  29  -9.062  -3.839  -2.725
  177    HG2  PRO  29           HG2      PRO  29  -7.452  -6.337  -2.824
  178    HG3  PRO  29           HG1      PRO  29  -8.121  -5.372  -4.152
  179    HD2  PRO  29           HD2      PRO  29  -5.510  -5.314  -3.575
  180    HD3  PRO  29           HD1      PRO  29  -6.369  -3.844  -4.088
  181    H    MET  30           HN       MET  30  -8.130  -2.541   0.722
  182    HA   MET  30           HA       MET  30  -7.176  -4.516   2.623
  183    HB2  MET  30           HB2      MET  30  -8.166  -2.747   4.266
  184    HB3  MET  30           HB1      MET  30  -6.680  -2.390   3.397
  185    HG2  MET  30           HG2      MET  30  -7.636  -0.775   2.139
  186    HG3  MET  30           HG1      MET  30  -9.205  -1.576   2.099
  187    HE1  MET  30           HE1      MET  30  -9.348   2.139   3.685
  188    HE2  MET  30           HE2      MET  30  -8.861   1.335   2.192
  189    HE3  MET  30           HE3      MET  30  -7.657   1.708   3.426
  190    HA   PRO  31           HA       PRO  31 -11.202  -6.365   3.044
  191    HB2  PRO  31           HB2      PRO  31 -10.688  -8.002   5.107
  192    HB3  PRO  31           HB1      PRO  31  -9.988  -8.282   3.507
  193    HG2  PRO  31           HG2      PRO  31  -8.744  -7.024   5.924
  194    HG3  PRO  31           HG1      PRO  31  -8.053  -8.211   4.800
  195    HD2  PRO  31           HD2      PRO  31  -7.538  -5.528   4.671
  196    HD3  PRO  31           HD1      PRO  31  -7.489  -6.605   3.262
  197    H    GLN  32           HN       GLN  32  -9.562  -4.718   5.656
  198    HA   GLN  32           HA       GLN  32 -10.284  -3.585   7.488
  199    HB2  GLN  32           HB2      GLN  32 -11.650  -2.542   5.538
  200    HB3  GLN  32           HB1      GLN  32 -13.011  -3.403   6.244
  201    HG2  GLN  32           HG2      GLN  32 -13.252  -1.885   7.841
  202    HG3  GLN  32           HG1      GLN  32 -11.539  -1.940   8.250
  203   HE21  GLN  32          1HE2      GLN  32 -13.961  -0.003   7.166
  204   HE22  GLN  32          2HE2      GLN  32 -13.025   1.223   6.387