*HEADER    DNA BINDING PROTEIN                     30-APR-03   1P7A              
*TITLE     SOLUTION STUCTURE OF THE THIRD ZINC FINGER FROM BKLF                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KRUPPEL-LIKE FACTOR 3;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 9-37;                                             
*COMPND   5 SYNONYM: BF3, BKLF;                                                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 GENE: BKLF;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-2T                                   
*KEYWDS    CLASSICAL ZINC FINGER, KRUPPEL-LIKE, TRANSCRIPTION FACTOR             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    R.J.Y.SIMPSON, E.D.CRAM, R.CZOLIJ, J.M.MATTHEWS, M.CROSSLEY,          
*AUTHOR   2 J.P.MACKAY                                                           
*REVDAT   1   30-DEC-03 1P7A    0                                                

 ASSI {    9}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HN  ))
      3.000     1.100     1.100 peak     9 spectrum    1 weight  0.10000E+01 volume  0.12325E-02 ppm1      4.258 ppm2      8.521 CV     1
 ASSI {   10}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      3.600     1.600     1.600 peak    10 spectrum    1 weight  0.10000E+01 volume  0.37530E-03 ppm1      1.230 ppm2      8.521 CV     1
 ASSI {   14}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.300     0.700     0.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.60068E-02 ppm1      4.349 ppm2      8.615 CV     1
 ASSI {   15}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 4    and name HN  ))
      4.200     2.200     2.200 peak    15 spectrum    1 weight  0.10000E+01 volume  0.16303E-03 ppm1      3.207 ppm2      8.614 CV     1
 OR {   15}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI {   16}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      3.700     1.700     1.700 peak    16 spectrum    1 weight  0.10000E+01 volume  0.34022E-03 ppm1      1.880 ppm2      8.622 CV     1
 ASSI {   17}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
      3.100     1.200     1.200 peak    17 spectrum    1 weight  0.10000E+01 volume  0.10286E-02 ppm1      1.785 ppm2      8.621 CV     1
 ASSI {   18}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.20360E-02 ppm1      1.664 ppm2      8.618 CV     1
 OR {   18}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI {   19}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 4    and name HB2 ))
      2.800     1.000     1.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.19159E-02 ppm1      3.206 ppm2      1.882 CV     1
 OR {   19}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {   21}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HG2 ))
      2.900     1.100     1.100 peak    21 spectrum    1 weight  0.10000E+01 volume  0.13539E-02 ppm1      3.203 ppm2      1.667 CV     1
 OR {   21}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   21}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {   22}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.000     1.100     1.100 peak    22 spectrum    1 weight  0.10000E+01 volume  0.12593E-02 ppm1      4.352 ppm2      1.875 CV     1
 ASSI {   23}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG3 ))
      2.800     1.000     1.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.16647E-02 ppm1      4.352 ppm2      1.669 CV     1
 OR {   23}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {   24}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB3 ))
      2.600     0.800     0.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.28654E-02 ppm1      4.352 ppm2      1.794 CV     1
 ASSI {   28}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HG2 ))
      2.700     0.900     0.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.21817E-02 ppm1      1.882 ppm2      1.674 CV     1
 OR {   28}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HG3 ))
 ASSI {   29}
   (( segid "    " and resid 5    and name HA1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.300     0.700     0.700 peak    29 spectrum    1 weight  0.10000E+01 volume  0.59539E-02 ppm1      4.001 ppm2      8.610 CV     1
 OR {   29}
   (( segid "    " and resid 5    and name HA2 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {   30}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.800     1.000     1.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.19099E-02 ppm1      3.932 ppm2      8.417 CV     1
 ASSI {   31}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.900     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.27211E-02 ppm1      3.885 ppm2      8.416 CV     1
 ASSI {   32}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.33427E-02 ppm1      4.562 ppm2      8.416 CV     1
 ASSI {   33}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.900     1.100     1.100 peak    33 spectrum    1 weight  0.10000E+01 volume  0.13731E-02 ppm1      4.560 ppm2      3.938 CV     1
 ASSI {   34}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
      3.000     1.100     1.100 peak    34 spectrum    1 weight  0.10000E+01 volume  0.12573E-02 ppm1      4.562 ppm2      3.874 CV     1
 ASSI {   35}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.500     0.800     0.800 peak    35 spectrum    1 weight  0.10000E+01 volume  0.32698E-02 ppm1      4.400 ppm2      8.375 CV     1
 ASSI {   37}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      2.600     0.800     0.800 peak    37 spectrum    1 weight  0.10000E+01 volume  0.29081E-02 ppm1      1.220 ppm2      8.375 CV     1
 ASSI {   39}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
      3.200     1.300     1.300 peak    39 spectrum    1 weight  0.10000E+01 volume  0.76451E-03 ppm1      4.399 ppm2      4.295 CV     1
 ASSI {   42}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.100     0.600     0.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.94488E-02 ppm1      3.953 ppm2      8.479 CV     1
 OR {   42}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {   43}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.17031E-02 ppm1      0.846 ppm2      8.071 CV     1
 ASSI {   44}
   (( segid "    " and resid 9    and name HG13))
   (( segid "    " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.33261E-02 ppm1      1.150 ppm2      8.072 CV     1
 ASSI {   45}
   (( segid "    " and resid 9    and name HG12))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.800     0.800 peak    45 spectrum    1 weight  0.10000E+01 volume  0.28601E-02 ppm1      1.432 ppm2      8.071 CV     1
 ASSI {   46}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 9    and name HN  ))
      2.100     0.600     0.600 peak    46 spectrum    1 weight  0.10000E+01 volume  0.99287E-02 ppm1      1.780 ppm2      8.071 CV     1
 ASSI {   47}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     0.700     0.700 peak    47 spectrum    1 weight  0.10000E+01 volume  0.46201E-02 ppm1      4.048 ppm2      8.072 CV     1
 ASSI {   48}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HD1%)
      3.000     1.100     1.100 peak    48 spectrum    1 weight  0.10000E+01 volume  0.11302E-02 ppm1      4.051 ppm2      0.843 CV     1
 ASSI {   49}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG13))
      2.700     0.900     0.900 peak    49 spectrum    1 weight  0.10000E+01 volume  0.24117E-02 ppm1      4.048 ppm2      1.150 CV     1
 ASSI {   51}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB  ))
      2.200     2.200     3.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.72215E-02 ppm1      4.048 ppm2      1.793 CV     1
 ASSI {   52}
   (( segid "    " and resid 9    and name HG12))
   (  segid "    " and resid 9    and name HD1%)
      2.200     0.600     0.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.74862E-02 ppm1      1.429 ppm2      0.841 CV     1
 ASSI {   53}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 9    and name HD1%)
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.40674E-02 ppm1      1.784 ppm2      0.842 CV     1
 ASSI {   54}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 9    and name HG13))
      2.800     0.900     0.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.19775E-02 ppm1      1.783 ppm2      1.142 CV     1
 ASSI {   55}
   (( segid "    " and resid 9    and name HG12))
   (( segid "    " and resid 9    and name HG13))
      1.900     0.500     0.500 peak    55 spectrum    1 weight  0.10000E+01 volume  0.16819E-01 ppm1      1.432 ppm2      1.147 CV     1
 ASSI {   56}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 9    and name HG12))
      2.500     0.800     0.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.34618E-02 ppm1      1.784 ppm2      1.430 CV     1
 ASSI {   57}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.900     0.900 peak    57 spectrum    1 weight  0.10000E+01 volume  0.26318E-02 ppm1      4.491 ppm2      8.504 CV     1
 ASSI {   58}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
      4.000     2.000     2.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.19857E-03 ppm1      1.336 ppm2      8.497 CV     1
 ASSI {   60}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HN  ))
      4.000     2.100     2.100 peak    60 spectrum    1 weight  0.10000E+01 volume  0.19543E-03 ppm1      1.270 ppm2      8.500 CV     1
 ASSI {   61}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.900     1.900     1.900 peak    61 spectrum    1 weight  0.10000E+01 volume  0.22773E-03 ppm1      1.617 ppm2      8.492 CV     1
 ASSI {   63}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HD2 ))
      3.400     1.400     1.400 peak    63 spectrum    1 weight  0.10000E+01 volume  0.60730E-03 ppm1      4.493 ppm2      1.602 CV     1
 ASSI {   64}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.200     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.74300E-02 ppm1      4.493 ppm2      1.525 CV     1
 OR {   64}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {   65}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG2 ))
      2.600     0.800     0.800 peak    65 spectrum    1 weight  0.10000E+01 volume  0.30478E-02 ppm1      4.493 ppm2      1.335 CV     1
 ASSI {   67}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HG2 ))
      2.400     0.700     0.700 peak    67 spectrum    1 weight  0.10000E+01 volume  0.47095E-02 ppm1      1.522 ppm2      1.342 CV     1
 ASSI {   68}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HG3 ))
      2.300     0.700     0.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.57123E-02 ppm1      1.523 ppm2      1.263 CV     1
 OR {   68}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HG3 ))
 ASSI {   69}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HG3 ))
      3.300     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.71884E-03 ppm1      1.617 ppm2      1.262 CV     1
 ASSI {   70}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HG2 ))
      3.100     1.200     1.200 peak    70 spectrum    1 weight  0.10000E+01 volume  0.90715E-03 ppm1      1.616 ppm2      1.349 CV     1
 ASSI {   71}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.300     0.700     0.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.54012E-02 ppm1      1.351 ppm2      1.271 CV     1
 ASSI {   72}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.600     2.600     3.400 peak    72 spectrum    1 weight  0.10000E+01 volume  0.27085E-02 ppm1      3.745 ppm2      2.029 CV     1
 ASSI {   73}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak    73 spectrum    1 weight  0.10000E+01 volume  0.10554E-02 ppm1      3.657 ppm2      2.025 CV     1
 ASSI {   74}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.400     0.700     0.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.41700E-02 ppm1      3.658 ppm2      1.879 CV     1
 ASSI {   75}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.700     0.900     0.900 peak    75 spectrum    1 weight  0.10000E+01 volume  0.23518E-02 ppm1      3.746 ppm2      1.878 CV     1
 ASSI {   76}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG3 ))
      2.700     0.900     0.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.21737E-02 ppm1      3.742 ppm2      1.797 CV     1
 ASSI {   77}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HG3 ))
      2.500     0.800     0.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.33493E-02 ppm1      3.657 ppm2      1.797 CV     1
 ASSI {   80}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB3 ))
      2.600     2.600     3.400 peak    80 spectrum    1 weight  0.10000E+01 volume  0.25623E-02 ppm1      3.743 ppm2      1.269 CV     1
 ASSI {   81}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HB3 ))
      2.600     0.900     0.900 peak    81 spectrum    1 weight  0.10000E+01 volume  0.26179E-02 ppm1      3.655 ppm2      1.268 CV     1
 ASSI {   83}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.200     0.600     0.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.85817E-02 ppm1      4.233 ppm2      2.025 CV     1
 ASSI {   84}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      2.600     2.600     3.400 peak    84 spectrum    1 weight  0.10000E+01 volume  0.26026E-02 ppm1      4.233 ppm2      1.879 CV     1
 ASSI {   85}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG3 ))
      2.800     1.000     1.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.16799E-02 ppm1      4.234 ppm2      1.795 CV     1
 ASSI {   86}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.400     0.700     0.700 peak    86 spectrum    1 weight  0.10000E+01 volume  0.46830E-02 ppm1      4.234 ppm2      1.273 CV     1
 ASSI {   87}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD3 ))
      3.100     1.200     1.200 peak    87 spectrum    1 weight  0.10000E+01 volume  0.10518E-02 ppm1      4.234 ppm2      3.663 CV     1
 ASSI {   89}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HD3 ))
      2.000     0.500     0.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.11683E-01 ppm1      3.742 ppm2      3.662 CV     1
 ASSI {   90}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB3 ))
      1.900     0.500     0.500 peak    90 spectrum    1 weight  0.10000E+01 volume  0.16263E-01 ppm1      2.013 ppm2      1.268 CV     1
 ASSI {   91}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB3 ))
      2.600     0.800     0.800 peak    91 spectrum    1 weight  0.10000E+01 volume  0.28187E-02 ppm1      1.880 ppm2      1.268 CV     1
 ASSI {   93}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG3 ))
      2.600     0.900     0.900 peak    93 spectrum    1 weight  0.10000E+01 volume  0.27218E-02 ppm1      2.015 ppm2      1.794 CV     1
 ASSI {   94}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.500     0.800     0.800 peak    94 spectrum    1 weight  0.10000E+01 volume  0.33261E-02 ppm1      2.014 ppm2      1.876 CV     1
 ASSI {   95}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HG3 ))
      1.900     0.500     0.500 peak    95 spectrum    1 weight  0.10000E+01 volume  0.17557E-01 ppm1      1.875 ppm2      1.800 CV     1
 ASSI {  100}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak   100 spectrum    1 weight  0.10000E+01 volume  0.44811E-02 ppm1      4.700 ppm2      8.231 CV     1
 ASSI {  101}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.100     0.600     0.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.90417E-02 ppm1      3.022 ppm2      8.230 CV     1
 ASSI {  102}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      2.100     0.600     0.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.88663E-02 ppm1      4.704 ppm2      3.027 CV     1
 OR {  102}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  104}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     2.700     3.300 peak   104 spectrum    1 weight  0.10000E+01 volume  0.20397E-02 ppm1      2.177 ppm2      8.667 CV     1
 ASSI {  105}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.16482E-02 ppm1      2.296 ppm2      8.667 CV     1
 ASSI {  113}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.24405E-02 ppm1      4.329 ppm2      8.667 CV     1
 ASSI {  119}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
      3.000     1.100     1.100 peak   119 spectrum    1 weight  0.10000E+01 volume  0.12967E-02 ppm1      4.329 ppm2      2.308 CV     1
 ASSI {  120}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG3 ))
      2.600     0.900     0.900 peak   120 spectrum    1 weight  0.10000E+01 volume  0.26936E-02 ppm1      4.328 ppm2      2.179 CV     1
 ASSI {  121}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
      2.300     0.700     0.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.51497E-02 ppm1      4.327 ppm2      2.053 CV     1
 OR {  121}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  122}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HB3 ))
      1.700     0.300     0.500 peak   122 spectrum    1 weight  0.10000E+01 volume  0.41303E-01 ppm1      2.180 ppm2      2.057 CV     1
 ASSI {  123}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HB2 ))
      2.100     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.95779E-02 ppm1      2.305 ppm2      2.053 CV     1
 OR {  123}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HB3 ))
 ASSI {  124}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HG3 ))
      1.900     0.400     0.400 peak   124 spectrum    1 weight  0.10000E+01 volume  0.19831E-01 ppm1      2.304 ppm2      2.178 CV     1
 ASSI {  125}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      2.200     0.600     0.600 peak   125 spectrum    1 weight  0.10000E+01 volume  0.67846E-02 ppm1      2.808 ppm2      8.995 CV     1
 ASSI {  127}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.35214E-02 ppm1      4.774 ppm2      8.995 CV     1
 ASSI {  128}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.800     0.900     0.900 peak   128 spectrum    1 weight  0.10000E+01 volume  0.19814E-02 ppm1      4.773 ppm2      3.577 CV     1
 ASSI {  129}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      2.400     0.700     0.700 peak   129 spectrum    1 weight  0.10000E+01 volume  0.46698E-02 ppm1      4.773 ppm2      2.805 CV     1
 ASSI {  130}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB3 ))
      2.000     0.500     0.500 peak   130 spectrum    1 weight  0.10000E+01 volume  0.13788E-01 ppm1      3.580 ppm2      2.805 CV     1
 ASSI {  133}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 15   and name HG2 ))
      2.400     0.700     0.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.47360E-02 ppm1      4.119 ppm2      2.092 CV     1
 OR {  133}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 15   and name HG3 ))
 ASSI {  134}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HG3 ))
      2.500     0.800     0.800 peak   134 spectrum    1 weight  0.10000E+01 volume  0.34287E-02 ppm1      4.294 ppm2      2.095 CV     1
 ASSI {  136}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HB3 ))
      2.600     2.600     3.400 peak   136 spectrum    1 weight  0.10000E+01 volume  0.26811E-02 ppm1      4.295 ppm2      2.026 CV     1
 ASSI {  138}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
      2.300     2.300     3.700 peak   138 spectrum    1 weight  0.10000E+01 volume  0.54773E-02 ppm1      4.656 ppm2      2.097 CV     1
 OR {  138}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG3 ))
 ASSI {  139}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.100     0.500     0.500 peak   139 spectrum    1 weight  0.10000E+01 volume  0.11163E-01 ppm1      4.657 ppm2      2.027 CV     1
 ASSI {  140}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HD3 ))
      3.500     1.500     1.500 peak   140 spectrum    1 weight  0.10000E+01 volume  0.47128E-03 ppm1      4.655 ppm2      4.126 CV     1
 ASSI {  141}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HD3 ))
      2.100     0.600     0.600 peak   141 spectrum    1 weight  0.10000E+01 volume  0.94885E-02 ppm1      4.283 ppm2      4.126 CV     1
 ASSI {  143}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.300     0.700     0.700 peak   143 spectrum    1 weight  0.10000E+01 volume  0.55435E-02 ppm1      4.797 ppm2      9.293 CV     1
 ASSI {  144}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.400     0.700     0.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.43057E-02 ppm1      2.085 ppm2      9.294 CV     1
 ASSI {  145}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak   145 spectrum    1 weight  0.10000E+01 volume  0.35114E-02 ppm1      1.456 ppm2      9.294 CV     1
 ASSI {  147}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.500     0.800     0.800 peak   147 spectrum    1 weight  0.10000E+01 volume  0.37233E-02 ppm1      4.794 ppm2      1.466 CV     1
 ASSI {  149}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak   149 spectrum    1 weight  0.10000E+01 volume  0.38821E-02 ppm1      4.913 ppm2      7.849 CV     1
 ASSI {  150}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak   150 spectrum    1 weight  0.10000E+01 volume  0.12864E-02 ppm1      3.278 ppm2      7.849 CV     1
 ASSI {  151}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak   151 spectrum    1 weight  0.10000E+01 volume  0.10458E-02 ppm1      3.349 ppm2      7.849 CV     1
 ASSI {  152}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.200     2.200     3.800 peak   152 spectrum    1 weight  0.10000E+01 volume  0.71122E-02 ppm1      4.913 ppm2      3.348 CV     1
 ASSI {  153}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.300     0.600     0.600 peak   153 spectrum    1 weight  0.10000E+01 volume  0.63411E-02 ppm1      4.913 ppm2      3.278 CV     1
 ASSI {  154}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.60499E-02 ppm1      4.608 ppm2      8.240 CV     1
 ASSI {  155}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     2.400     3.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.43620E-02 ppm1      2.854 ppm2      8.240 CV     1
 ASSI {  156}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     2.400     3.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.47360E-02 ppm1      2.761 ppm2      8.237 CV     1
 ASSI {  157}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.100     2.100     3.900 peak   157 spectrum    1 weight  0.10000E+01 volume  0.10001E-01 ppm1      4.608 ppm2      2.841 CV     1
 ASSI {  158}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.400     0.700     0.700 peak   158 spectrum    1 weight  0.10000E+01 volume  0.50074E-02 ppm1      4.609 ppm2      2.762 CV     1
 ASSI {  159}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HB3 ))
      2.500     0.800     0.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.33129E-02 ppm1      2.846 ppm2      2.760 CV     1
 ASSI {  163}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak   163 spectrum    1 weight  0.10000E+01 volume  0.46896E-02 ppm1      4.096 ppm2      8.732 CV     1
 ASSI {  164}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.900     0.900 peak   164 spectrum    1 weight  0.10000E+01 volume  0.27347E-02 ppm1      1.734 ppm2      8.732 CV     1
 ASSI {  167}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HE  ))
      3.000     1.200     1.200 peak   167 spectrum    1 weight  0.10000E+01 volume  0.11021E-02 ppm1      1.734 ppm2      7.212 CV     1
 ASSI {  168}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HE  ))
      3.200     1.300     1.300 peak   168 spectrum    1 weight  0.10000E+01 volume  0.75458E-03 ppm1      1.687 ppm2      7.212 CV     1
 ASSI {  169}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HE  ))
      2.800     1.000     1.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.18398E-02 ppm1      1.273 ppm2      7.210 CV     1
 ASSI {  170}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HE  ))
      2.800     1.000     1.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.18474E-02 ppm1      1.357 ppm2      7.211 CV     1
 ASSI {  173}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.900     2.900     3.100 peak   173 spectrum    1 weight  0.10000E+01 volume  0.14175E-02 ppm1      3.580 ppm2      7.720 CV     1
 ASSI {  174}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     1.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.10174E-35 ppm1      3.759 ppm2      7.723 CV     1
 ASSI {  175}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.300     0.700     0.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.56262E-02 ppm1      5.147 ppm2      3.763 CV     1
 ASSI {  176}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.200     0.600     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.74961E-02 ppm1      5.145 ppm2      3.575 CV     1
 ASSI {  177}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB3 ))
      1.900     0.500     0.500 peak   177 spectrum    1 weight  0.10000E+01 volume  0.18457E-01 ppm1      3.767 ppm2      3.576 CV     1
 ASSI {  189}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      2.800     1.000     1.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.18395E-02 ppm1      4.938 ppm2      2.775 CV     1
 ASSI {  190}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HB3 ))
      2.300     0.600     0.600 peak   190 spectrum    1 weight  0.10000E+01 volume  0.61889E-02 ppm1      3.675 ppm2      2.776 CV     1
 ASSI {  198}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.32526E-02 ppm1      4.699 ppm2      9.831 CV     1
 ASSI {  199}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.800     0.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.28505E-02 ppm1      4.183 ppm2      9.830 CV     1
 ASSI {  200}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.800     0.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.29806E-02 ppm1      4.092 ppm2      9.832 CV     1
 ASSI {  202}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.600     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.26708E-02 ppm1      4.703 ppm2      4.090 CV     1
 ASSI {  203}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.800     1.000     1.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.17898E-02 ppm1      4.704 ppm2      4.183 CV     1
 ASSI {  205}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     2.600     3.400 peak   205 spectrum    1 weight  0.10000E+01 volume  0.29071E-02 ppm1      1.450 ppm2      7.536 CV     1
 ASSI {  206}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.18252E-02 ppm1      1.613 ppm2      7.538 CV     1
 ASSI {  207}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak   207 spectrum    1 weight  0.10000E+01 volume  0.20837E-02 ppm1      2.065 ppm2      7.535 CV     1
 ASSI {  208}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.400     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.43256E-02 ppm1      4.657 ppm2      7.547 CV     1
 ASSI {  209}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HE  ))
      2.700     0.900     0.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.21036E-02 ppm1      1.174 ppm2      8.099 CV     1
 ASSI {  210}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HE  ))
      3.100     1.200     1.200 peak   210 spectrum    1 weight  0.10000E+01 volume  0.10468E-02 ppm1      1.453 ppm2      8.101 CV     1
 ASSI {  211}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HE  ))
      2.800     1.000     1.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.18805E-02 ppm1      1.616 ppm2      8.101 CV     1
 ASSI {  212}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HE  ))
      2.400     2.400     3.600 peak   212 spectrum    1 weight  0.10000E+01 volume  0.45705E-02 ppm1      2.062 ppm2      8.094 CV     1
 ASSI {  215}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG3 ))
      2.500     0.800     0.800 peak   215 spectrum    1 weight  0.10000E+01 volume  0.37994E-02 ppm1      4.656 ppm2      1.613 CV     1
 ASSI {  216}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.600     0.900     0.900 peak   216 spectrum    1 weight  0.10000E+01 volume  0.25629E-02 ppm1      4.655 ppm2      1.443 CV     1
 ASSI {  217}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.700     0.900     0.900 peak   217 spectrum    1 weight  0.10000E+01 volume  0.23117E-02 ppm1      4.655 ppm2      1.165 CV     1
 ASSI {  218}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HG3 ))
      2.600     0.800     0.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      2.061 ppm2      1.612 CV     1
 ASSI {  221}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
      2.400     0.700     0.700 peak   221 spectrum    1 weight  0.10000E+01 volume  0.47260E-02 ppm1      1.443 ppm2      1.167 CV     1
 ASSI {  222}
   (( segid "    " and resid 27   and name HG  ))
   (  segid "    " and resid 27   and name HD1%)
      2.200     0.600     0.600 peak   222 spectrum    1 weight  0.10000E+01 volume  0.70692E-02 ppm1      1.608 ppm2      1.153 CV     1
 ASSI {  224}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.47625E-02 ppm1      3.441 ppm2      8.674 CV     1
 ASSI {  225}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak   225 spectrum    1 weight  0.10000E+01 volume  0.28796E-02 ppm1      3.112 ppm2      8.674 CV     1
 ASSI {  228}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD2 ))
      3.600     1.600     1.600 peak   228 spectrum    1 weight  0.10000E+01 volume  0.39582E-03 ppm1      4.651 ppm2      3.180 CV     1
 ASSI {  229}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HB3 ))
      1.900     0.400     0.400 peak   229 spectrum    1 weight  0.10000E+01 volume  0.19914E-01 ppm1      3.439 ppm2      3.152 CV     1
 ASSI {  230}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
      2.100     2.100     3.900 peak   230 spectrum    1 weight  0.10000E+01 volume  0.11458E-01 ppm1      3.440 ppm2      3.104 CV     1
 ASSI {  231}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.24322E-02 ppm1      3.150 ppm2      8.677 CV     1
 ASSI {  232}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.200     0.600     0.600 peak   232 spectrum    1 weight  0.10000E+01 volume  0.69468E-02 ppm1      4.329 ppm2      8.894 CV     1
 ASSI {  233}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.700     0.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.54641E-02 ppm1      2.761 ppm2      8.894 CV     1
 ASSI {  234}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     0.700     0.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.48154E-02 ppm1      2.645 ppm2      8.895 CV     1
 ASSI {  235}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.100     2.100     3.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.99651E-02 ppm1      4.329 ppm2      2.760 CV     1
 ASSI {  237}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.400     0.700     0.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.42693E-02 ppm1      4.411 ppm2      7.427 CV     1
 ASSI {  238}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.20380E-02 ppm1      3.397 ppm2      7.438 CV     1
 ASSI {  239}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   239 spectrum    1 weight  0.10000E+01 volume  0.24047E-02 ppm1      3.267 ppm2      7.438 CV     1
 ASSI {  240}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.900     1.100     1.100 peak   240 spectrum    1 weight  0.10000E+01 volume  0.14042E-02 ppm1      3.272 ppm2      7.051 CV     1
 ASSI {  241}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.200     1.300     1.300 peak   241 spectrum    1 weight  0.10000E+01 volume  0.82838E-03 ppm1      3.388 ppm2      7.048 CV     1
 ASSI {  243}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.400     0.700     0.700 peak   243 spectrum    1 weight  0.10000E+01 volume  0.45705E-02 ppm1      4.399 ppm2      3.391 CV     1
 ASSI {  246}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.300     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.51695E-02 ppm1      3.321 ppm2      7.200 CV     1
 ASSI {  247}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.300     1.300     1.300 peak   247 spectrum    1 weight  0.10000E+01 volume  0.71122E-03 ppm1      1.942 ppm2      7.206 CV     1
 ASSI {  248}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.23001E-02 ppm1      3.323 ppm2      1.941 CV     1
 ASSI {  249}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     1.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.10174E-35 ppm1      1.382 ppm2      7.201 CV     1
 ASSI {  250}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.500     0.800     0.800 peak   250 spectrum    1 weight  0.10000E+01 volume  0.34949E-02 ppm1      3.327 ppm2      1.384 CV     1
 ASSI {  255}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HD2%)
      2.300     2.300     3.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.51927E-02 ppm1      3.322 ppm2      1.069 CV     1
 ASSI {  258}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 27   and name HD2%)
      2.600     0.800     0.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.30974E-02 ppm1      1.944 ppm2      1.072 CV     1
 ASSI {  259}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
      2.800     1.000     1.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.16445E-02 ppm1      1.945 ppm2      1.151 CV     1
 ASSI {  260}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB3 ))
      2.300     0.700     0.700 peak   260 spectrum    1 weight  0.10000E+01 volume  0.53648E-02 ppm1      1.943 ppm2      1.384 CV     1
 ASSI {  261}
   (( segid "    " and resid 27   and name HG  ))
   (  segid "    " and resid 27   and name HD2%)
      2.300     0.700     0.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.60432E-02 ppm1      1.605 ppm2      1.071 CV     1
 ASSI {  262}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 27   and name HD2%)
      2.400     0.700     0.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.50405E-02 ppm1      1.385 ppm2      1.071 CV     1
 ASSI {  263}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
      3.000     1.100     1.100 peak   263 spectrum    1 weight  0.10000E+01 volume  0.11779E-02 ppm1      1.382 ppm2      1.138 CV     1
 ASSI {  276}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HE  ))
      2.300     0.700     0.700 peak   276 spectrum    1 weight  0.10000E+01 volume  0.51265E-02 ppm1      3.132 ppm2      7.203 CV     1
 ASSI {  277}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HE  ))
      2.600     0.800     0.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.28753E-02 ppm1      3.050 ppm2      7.210 CV     1
 ASSI {  279}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HD3 ))
      2.600     2.600     3.400 peak   279 spectrum    1 weight  0.10000E+01 volume  0.31341E-02 ppm1      4.094 ppm2      3.058 CV     1
 ASSI {  280}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HG2 ))
      2.500     0.800     0.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.31454E-02 ppm1      3.051 ppm2      1.738 CV     1
 ASSI {  281}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HG3 ))
      2.700     0.900     0.900 peak   281 spectrum    1 weight  0.10000E+01 volume  0.24554E-02 ppm1      3.056 ppm2      1.680 CV     1
 ASSI {  282}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HG2 ))
      2.600     0.800     0.800 peak   282 spectrum    1 weight  0.10000E+01 volume  0.27890E-02 ppm1      3.135 ppm2      1.738 CV     1
 ASSI {  283}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HG3 ))
      2.600     0.800     0.800 peak   283 spectrum    1 weight  0.10000E+01 volume  0.31332E-02 ppm1      3.133 ppm2      1.682 CV     1
 ASSI {  284}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HB2 ))
      3.000     1.100     1.100 peak   284 spectrum    1 weight  0.10000E+01 volume  0.11908E-02 ppm1      3.130 ppm2      1.357 CV     1
 ASSI {  285}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HB2 ))
      2.900     2.900     3.100 peak   285 spectrum    1 weight  0.10000E+01 volume  0.14992E-02 ppm1      3.052 ppm2      1.357 CV     1
 ASSI {  286}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.800     1.000     1.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.17365E-02 ppm1      3.042 ppm2      1.268 CV     1
 ASSI {  287}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HB3 ))
      3.200     1.300     1.300 peak   287 spectrum    1 weight  0.10000E+01 volume  0.77741E-03 ppm1      3.135 ppm2      1.268 CV     1
 ASSI {  289}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.300     1.300 peak   289 spectrum    1 weight  0.10000E+01 volume  0.71155E-03 ppm1      0.926 ppm2      7.759 CV     1
 ASSI {  291}
   (( segid "    " and resid 37   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      2.800     1.000     1.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.17349E-02 ppm1      2.106 ppm2      7.761 CV     1
 ASSI {  292}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB  ))
      3.900     1.900     1.900 peak   292 spectrum    1 weight  0.10000E+01 volume  0.23690E-03 ppm1      4.071 ppm2      2.109 CV     1
 ASSI {  293}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HG1%)
      3.000     1.100     1.100 peak   293 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      4.071 ppm2      0.918 CV     1
 ASSI {  295}
   (( segid "    " and resid 37   and name HB  ))
   (  segid "    " and resid 37   and name HG1%)
      2.700     0.900     0.900 peak   295 spectrum    1 weight  0.10000E+01 volume  0.23958E-02 ppm1      2.094 ppm2      0.916 CV     1
 ASSI {  296}
   (( segid "    " and resid 37   and name HB  ))
   (  segid "    " and resid 37   and name HG2%)
      2.600     0.900     0.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.26834E-02 ppm1      2.098 ppm2      0.894 CV     1
 ASSI {  297}
   (  segid "    " and resid 28   and name HB% )
   (( segid "    " and resid 28   and name HN  ))
      1.900     0.400     0.400 peak   297 spectrum    1 weight  0.10000E+01 volume  0.18937E-01 ppm1      1.429 ppm2      7.995 CV     1
 ASSI {  298}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.300     0.600     0.600 peak   298 spectrum    1 weight  0.10000E+01 volume  0.62683E-02 ppm1      3.959 ppm2      7.995 CV     1
 ASSI {  299}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HB% )
      1.900     0.500     0.500 peak   299 spectrum    1 weight  0.10000E+01 volume  0.17617E-01 ppm1      3.955 ppm2      1.437 CV     1
 ASSI {  300}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HN  ))
      3.500     1.600     1.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.43885E-03 ppm1      0.938 ppm2      8.242 CV     1
 ASSI {  301}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HN  ))
      3.200     1.300     1.300 peak   301 spectrum    1 weight  0.10000E+01 volume  0.79694E-03 ppm1      0.892 ppm2      8.241 CV     1
 ASSI {  302}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.400     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.48915E-02 ppm1      4.440 ppm2      8.242 CV     1
 ASSI {  303}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
      2.400     0.700     0.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.41634E-02 ppm1      1.687 ppm2      8.241 CV     1
 OR {  303}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {  304}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.300     0.700     0.700 peak   304 spectrum    1 weight  0.10000E+01 volume  0.51364E-02 ppm1      4.423 ppm2      1.686 CV     1
 ASSI {  305}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 29   and name HG  ))
      2.500     0.800     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.39682E-02 ppm1      4.422 ppm2      1.619 CV     1
 ASSI {  307}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
      2.200     2.200     3.800 peak   307 spectrum    1 weight  0.10000E+01 volume  0.82011E-02 ppm1      4.422 ppm2      0.888 CV     1
 ASSI {  308}
   (( segid "    " and resid 36   and name HG  ))
   (  segid "    " and resid 36   and name HD1%)
      2.600     0.800     0.800 peak   308 spectrum    1 weight  0.10000E+01 volume  0.30335E-02 ppm1      1.654 ppm2      0.942 CV     1
 ASSI {  309}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
      2.700     0.900     0.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.22207E-02 ppm1      1.688 ppm2      0.943 CV     1
 ASSI {  310}
   (( segid "    " and resid 36   and name HB3 ))
   (  segid "    " and resid 36   and name HD2%)
      2.100     0.600     0.600 peak   310 spectrum    1 weight  0.10000E+01 volume  0.93197E-02 ppm1      1.686 ppm2      0.882 CV     1
 ASSI {  312}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 36   and name HN  ))
      2.300     0.700     0.700 peak   312 spectrum    1 weight  0.10000E+01 volume  0.51265E-02 ppm1      1.651 ppm2      8.240 CV     1
 ASSI {  313}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      2.200     2.200     3.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.72347E-02 ppm1      2.061 ppm2      7.649 CV     1
 ASSI {  314}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.35876E-02 ppm1      2.181 ppm2      7.650 CV     1
 ASSI {  315}
   (( segid "    " and resid 35   and name HG3 ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.16584E-02 ppm1      2.576 ppm2      7.650 CV     1
 ASSI {  316}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.17041E-02 ppm1      2.648 ppm2      7.649 CV     1
 ASSI {  317}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     0.900     0.900 peak   317 spectrum    1 weight  0.10000E+01 volume  0.25977E-02 ppm1      4.493 ppm2      7.649 CV     1
 ASSI {  318}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HG2 ))
      3.100     1.200     1.200 peak   318 spectrum    1 weight  0.10000E+01 volume  0.94355E-03 ppm1      4.491 ppm2      2.664 CV     1
 ASSI {  319}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HG3 ))
      2.600     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.27456E-02 ppm1      4.492 ppm2      2.583 CV     1
 ASSI {  320}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.300     0.700     0.700 peak   320 spectrum    1 weight  0.10000E+01 volume  0.58612E-02 ppm1      4.492 ppm2      2.190 CV     1
 ASSI {  321}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
      2.600     0.900     0.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.27314E-02 ppm1      4.492 ppm2      2.057 CV     1
 ASSI {  323}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 35   and name HB2 ))
      2.600     0.900     0.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.25553E-02 ppm1      2.656 ppm2      2.177 CV     1
 ASSI {  324}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HG2 ))
      2.700     0.900     0.900 peak   324 spectrum    1 weight  0.10000E+01 volume  0.20817E-02 ppm1      2.665 ppm2      2.061 CV     1
 ASSI {  325}
   (( segid "    " and resid 35   and name HG3 ))
   (( segid "    " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak   325 spectrum    1 weight  0.10000E+01 volume  0.23673E-02 ppm1      2.575 ppm2      2.181 CV     1
 ASSI {  327}
   (( segid "    " and resid 9    and name HG13))
   (  segid "    " and resid 9    and name HD1%)
      2.200     0.600     0.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.77841E-02 ppm1      1.149 ppm2      0.841 CV     1
 ASSI {  328}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 10   and name HD2 ))
      2.500     0.800     0.800 peak   328 spectrum    1 weight  0.10000E+01 volume  0.37497E-02 ppm1      2.928 ppm2      1.602 CV     1
 OR {  328}
   (( segid "    " and resid 10   and name HE2 ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI {  329}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 10   and name HB2 ))
      3.000     1.100     1.100 peak   329 spectrum    1 weight  0.10000E+01 volume  0.12821E-02 ppm1      2.926 ppm2      1.511 CV     1
 OR {  329}
   (( segid "    " and resid 10   and name HE2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {  329}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 10   and name HB3 ))
 ASSI {  330}
   (( segid "    " and resid 10   and name HE2 ))
   (( segid "    " and resid 10   and name HG2 ))
      2.500     0.800     0.800 peak   330 spectrum    1 weight  0.10000E+01 volume  0.34188E-02 ppm1      2.927 ppm2      1.354 CV     1
 OR {  330}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 10   and name HG2 ))
 ASSI {  331}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 10   and name HG3 ))
      2.500     0.800     0.800 peak   331 spectrum    1 weight  0.10000E+01 volume  0.36868E-02 ppm1      2.926 ppm2      1.269 CV     1
 OR {  331}
   (( segid "    " and resid 10   and name HE2 ))
   (( segid "    " and resid 10   and name HG3 ))
 ASSI {  332}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.18391E-02 ppm1      3.180 ppm2      7.404 CV     1
 ASSI {  333}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     0.900     0.900 peak   333 spectrum    1 weight  0.10000E+01 volume  0.21823E-02 ppm1      3.274 ppm2      7.404 CV     1
 ASSI {  334}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.800     0.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.27572E-02 ppm1      4.696 ppm2      7.397 CV     1
 ASSI {  335}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
      2.500     0.800     0.800 peak   335 spectrum    1 weight  0.10000E+01 volume  0.31385E-02 ppm1      4.703 ppm2      3.191 CV     1
 ASSI {  337}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HE  ))
      2.300     0.700     0.700 peak   337 spectrum    1 weight  0.10000E+01 volume  0.57752E-02 ppm1      3.087 ppm2      7.277 CV     1
 OR {  337}
   (( segid "    " and resid 33   and name HD3 ))
   (( segid "    " and resid 33   and name HE  ))
 ASSI {  339}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.22435E-02 ppm1      1.570 ppm2      7.755 CV     1
 OR {  339}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  340}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.900     0.900 peak   340 spectrum    1 weight  0.10000E+01 volume  0.26132E-02 ppm1      1.499 ppm2      7.755 CV     1
 ASSI {  341}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.100     1.100 peak   341 spectrum    1 weight  0.10000E+01 volume  0.13831E-02 ppm1      1.429 ppm2      7.755 CV     1
 ASSI {  342}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HE  ))
      3.000     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.11511E-02 ppm1      1.435 ppm2      7.283 CV     1
 ASSI {  344}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 33   and name HE  ))
      3.100     1.200     1.200 peak   344 spectrum    1 weight  0.10000E+01 volume  0.92734E-03 ppm1      1.572 ppm2      7.282 CV     1
 OR {  344}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 33   and name HE  ))
 ASSI {  347}
   (( segid "    " and resid 33   and name HD3 ))
   (( segid "    " and resid 33   and name HG2 ))
      3.300     1.400     1.400 peak   347 spectrum    1 weight  0.10000E+01 volume  0.63808E-03 ppm1      3.089 ppm2      1.566 CV     1
 OR {  347}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  347}
   (( segid "    " and resid 33   and name HD3 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  347}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HG3 ))
 ASSI {  348}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak   348 spectrum    1 weight  0.10000E+01 volume  0.34088E-02 ppm1      3.090 ppm2      1.496 CV     1
 OR {  348}
   (( segid "    " and resid 33   and name HD3 ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  349}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HB3 ))
      2.700     0.900     0.900 peak   349 spectrum    1 weight  0.10000E+01 volume  0.24014E-02 ppm1      3.089 ppm2      1.426 CV     1
 OR {  349}
   (( segid "    " and resid 33   and name HD3 ))
   (( segid "    " and resid 33   and name HB3 ))
 ASSI {  350}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
      2.800     1.000     1.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.17600E-02 ppm1      4.069 ppm2      1.573 CV     1
 OR {  350}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG2 ))
 ASSI {  351}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.200     2.200     3.800 peak   351 spectrum    1 weight  0.10000E+01 volume  0.84162E-02 ppm1      4.070 ppm2      1.508 CV     1
 ASSI {  352}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
      2.400     0.700     0.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.44514E-02 ppm1      4.065 ppm2      1.436 CV     1
 ASSI {  356}
   (( segid "    " and resid 32   and name HE2 ))
   (  segid "    " and resid 32   and name HZ% )
      3.200     3.200     2.800 peak   356 spectrum    1 weight  0.10000E+01 volume  0.86479E-03 ppm1      2.973 ppm2      7.643 CV     1
 OR {  356}
   (( segid "    " and resid 32   and name HE3 ))
   (  segid "    " and resid 32   and name HZ% )
 ASSI {  359}
   (( segid "    " and resid 32   and name HD3 ))
   (  segid "    " and resid 32   and name HZ% )
      2.900     1.100     1.100 peak   359 spectrum    1 weight  0.10000E+01 volume  0.13665E-02 ppm1      1.691 ppm2      7.651 CV     1
 OR {  359}
   (( segid "    " and resid 32   and name HD2 ))
   (  segid "    " and resid 32   and name HZ% )
 ASSI {  360}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.200     0.600     0.600 peak   360 spectrum    1 weight  0.10000E+01 volume  0.81779E-02 ppm1      1.711 ppm2      7.295 CV     1
 ASSI {  361}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      2.000     0.500     0.500 peak   361 spectrum    1 weight  0.10000E+01 volume  0.12652E-01 ppm1      1.897 ppm2      7.300 CV     1
 ASSI {  362}
   (( segid "    " and resid 32   and name HG2 ))
   (  segid "    " and resid 32   and name HZ% )
      3.900     1.900     1.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.25523E-03 ppm1      1.526 ppm2      7.650 CV     1
 OR {  362}
   (( segid "    " and resid 32   and name HG3 ))
   (  segid "    " and resid 32   and name HZ% )
 ASSI {  365}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HE3 ))
      3.000     1.100     1.100 peak   365 spectrum    1 weight  0.10000E+01 volume  0.11865E-02 ppm1      4.049 ppm2      2.981 CV     1
 OR {  365}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HE2 ))
 ASSI {  366}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.000     0.500     0.500 peak   366 spectrum    1 weight  0.10000E+01 volume  0.12729E-01 ppm1      4.060 ppm2      1.898 CV     1
 OR {  366}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {  368}
   (( segid "    " and resid 32   and name HE3 ))
   (( segid "    " and resid 32   and name HB3 ))
      3.300     1.300     1.300 peak   368 spectrum    1 weight  0.10000E+01 volume  0.71288E-03 ppm1      2.972 ppm2      1.902 CV     1
 OR {  368}
   (( segid "    " and resid 32   and name HE2 ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 32   and name HE3 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 32   and name HE2 ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {  369}
   (( segid "    " and resid 32   and name HE3 ))
   (( segid "    " and resid 32   and name HD2 ))
      2.200     0.600     0.600 peak   369 spectrum    1 weight  0.10000E+01 volume  0.67052E-02 ppm1      2.976 ppm2      1.711 CV     1
 OR {  369}
   (( segid "    " and resid 32   and name HE2 ))
   (( segid "    " and resid 32   and name HD3 ))
 OR {  369}
   (( segid "    " and resid 32   and name HE2 ))
   (( segid "    " and resid 32   and name HD2 ))
 ASSI {  370}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HG3 ))
      2.500     0.800     0.800 peak   370 spectrum    1 weight  0.10000E+01 volume  0.31441E-02 ppm1      1.890 ppm2      1.512 CV     1
 OR {  370}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  370}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI {  371}
   (( segid "    " and resid 32   and name HD3 ))
   (( segid "    " and resid 32   and name HG3 ))
      2.200     0.600     0.600 peak   371 spectrum    1 weight  0.10000E+01 volume  0.67085E-02 ppm1      1.708 ppm2      1.508 CV     1
 OR {  371}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  371}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 32   and name HG3 ))
 ASSI {  372}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 4    and name HE  ))
      3.300     1.400     1.400 peak   372 spectrum    1 weight  0.10000E+01 volume  0.62153E-03 ppm1      1.665 ppm2      7.241 CV     1
 OR {  372}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HE  ))
 ASSI {  374}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HE  ))
      3.600     1.700     1.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.37166E-03 ppm1      1.892 ppm2      7.239 CV     1
 ASSI {  375}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 4    and name HE  ))
      3.100     1.200     1.200 peak   375 spectrum    1 weight  0.10000E+01 volume  0.92568E-03 ppm1      3.206 ppm2      7.247 CV     1
 OR {  375}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HE  ))
 ASSI {  376}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HE  ))
      6.500     5.300     0.500 peak   376 spectrum    1 weight  0.10000E+01 volume  0.11153E-04 ppm1      4.355 ppm2      7.238 CV     1
 ASSI {  378}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.100     0.500     0.500 peak   378 spectrum    1 weight  0.10000E+01 volume  0.11332E-01 ppm1      1.687 ppm2      7.493 CV     1
 ASSI {  379}
   (( segid "    " and resid 29   and name HG  ))
   (( segid "    " and resid 29   and name HN  ))
      2.300     0.600     0.600 peak   379 spectrum    1 weight  0.10000E+01 volume  0.63543E-02 ppm1      1.610 ppm2      7.492 CV     1
 ASSI {  382}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.400     0.700     0.700 peak   382 spectrum    1 weight  0.10000E+01 volume  0.44878E-02 ppm1      4.094 ppm2      1.356 CV     1
 ASSI {  385}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG  ))
      2.700     0.900     0.900 peak   385 spectrum    1 weight  0.10000E+01 volume  0.20605E-02 ppm1      4.048 ppm2      1.595 CV     1
 ASSI {  386}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HE  ))
      3.100     1.200     1.200 peak   386 spectrum    1 weight  0.10000E+01 volume  0.99916E-03 ppm1      3.300 ppm2      8.035 CV     1
 OR {  386}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 31   and name HE  ))
 ASSI {  387}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 31   and name HE  ))
      3.300     1.400     1.400 peak   387 spectrum    1 weight  0.10000E+01 volume  0.62385E-03 ppm1      2.250 ppm2      8.024 CV     1
 ASSI {  388}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HE  ))
      3.300     1.300     1.300 peak   388 spectrum    1 weight  0.10000E+01 volume  0.68839E-03 ppm1      2.318 ppm2      8.029 CV     1
 ASSI {  393}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HG2 ))
      2.500     0.800     0.800 peak   393 spectrum    1 weight  0.10000E+01 volume  0.37597E-02 ppm1      3.300 ppm2      2.325 CV     1
 OR {  393}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 31   and name HG2 ))
 ASSI {  394}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 31   and name HG3 ))
      2.400     0.700     0.700 peak   394 spectrum    1 weight  0.10000E+01 volume  0.41436E-02 ppm1      3.299 ppm2      2.256 CV     1
 OR {  394}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HG3 ))
 ASSI {  395}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak   395 spectrum    1 weight  0.10000E+01 volume  0.33890E-02 ppm1      3.767 ppm2      8.585 CV     1
 ASSI {  397}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HG3 ))
      2.400     0.700     0.700 peak   397 spectrum    1 weight  0.10000E+01 volume  0.43322E-02 ppm1      2.669 ppm2      1.612 CV     1
 ASSI {  399}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.200     2.200     3.800 peak   399 spectrum    1 weight  0.10000E+01 volume  0.70791E-02 ppm1      2.666 ppm2      1.443 CV     1
 ASSI {  400}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HB3 ))
      2.600     0.900     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.25765E-02 ppm1      2.670 ppm2      1.167 CV     1
 ASSI {  401}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HE  ))
      2.300     0.600     0.600 peak   401 spectrum    1 weight  0.10000E+01 volume  0.65430E-02 ppm1      2.670 ppm2      8.100 CV     1
 ASSI {  402}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HE  ))
      2.400     0.700     0.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.45275E-02 ppm1      3.182 ppm2      8.099 CV     1
 ASSI {  403}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.37563E-03 ppm1      2.669 ppm2      7.535 CV     1
 ASSI {  404}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG2 ))
      3.100     1.200     1.200 peak   404 spectrum    1 weight  0.10000E+01 volume  0.92767E-03 ppm1      3.182 ppm2      2.074 CV     1
 ASSI {  406}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.500     2.500     3.500 peak   406 spectrum    1 weight  0.10000E+01 volume  0.39847E-02 ppm1      3.182 ppm2      1.443 CV     1
 ASSI {  409}
   (( segid "    " and resid 9    and name HG12))
   (  segid "    " and resid 9    and name HG2%)
      2.700     0.900     0.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.21770E-02 ppm1      1.429 ppm2      0.869 CV     1
 ASSI {  410}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 9    and name HG2%)
      2.200     0.600     0.600 peak   410 spectrum    1 weight  0.10000E+01 volume  0.82342E-02 ppm1      1.782 ppm2      0.869 CV     1
 ASSI {  411}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      2.700     2.700     3.300 peak   411 spectrum    1 weight  0.10000E+01 volume  0.24358E-02 ppm1      0.869 ppm2      8.071 CV     1
 ASSI {  412}
   (( segid "    " and resid 10   and name HE2 ))
   (( segid "    " and resid 10   and name HD3 ))
      2.600     0.900     0.900 peak   412 spectrum    1 weight  0.10000E+01 volume  0.25037E-02 ppm1      2.927 ppm2      1.486 CV     1
 OR {  412}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 10   and name HD3 ))
 ASSI {  416}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
      2.000     0.500     0.500 peak   416 spectrum    1 weight  0.10000E+01 volume  0.12295E-01 ppm1      2.153 ppm2      1.873 CV     1
 ASSI {  417}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 31   and name HB3 ))
      3.100     1.200     1.200 peak   417 spectrum    1 weight  0.10000E+01 volume  0.10243E-02 ppm1      2.247 ppm2      1.871 CV     1
 ASSI {  418}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HB3 ))
      2.500     0.800     0.800 peak   418 spectrum    1 weight  0.10000E+01 volume  0.38920E-02 ppm1      2.318 ppm2      1.870 CV     1
 ASSI {  419}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 31   and name HB2 ))
      2.300     0.700     0.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.56229E-02 ppm1      3.299 ppm2      2.155 CV     1
 ASSI {  420}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 31   and name HB3 ))
      2.400     0.700     0.700 peak   420 spectrum    1 weight  0.10000E+01 volume  0.51166E-02 ppm1      3.304 ppm2      1.873 CV     1
 ASSI {  421}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG2 ))
      2.500     0.800     0.800 peak   421 spectrum    1 weight  0.10000E+01 volume  0.37001E-02 ppm1      3.767 ppm2      2.320 CV     1
 ASSI {  423}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.400     0.700     0.700 peak   423 spectrum    1 weight  0.10000E+01 volume  0.39946E-02 ppm1      3.766 ppm2      2.152 CV     1
 ASSI {  430}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG3 ))
      2.600     0.800     0.800 peak   430 spectrum    1 weight  0.10000E+01 volume  0.27833E-02 ppm1      3.767 ppm2      2.254 CV     1
 ASSI {  431}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HD3 ))
      2.600     2.600     3.400 peak   431 spectrum    1 weight  0.10000E+01 volume  0.29465E-02 ppm1      3.767 ppm2      3.303 CV     1
 OR {  431}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HD2 ))
 ASSI { 1123}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.900     1.000     1.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.15482E-02 ppm1      3.674 ppm2      8.737 CV     1
 ASSI { 1687}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 21   and name HZ  ))
      3.200     1.300     1.300 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.74961E-03 ppm1      1.149 ppm2      6.318 CV     1
 ASSI { 1872}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HD3 ))
      2.700     0.900     0.900 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.20893E-02 ppm1      3.955 ppm2      3.307 CV     1
 ASSI { 1873}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 31   and name HD2 ))
      3.000     1.100     1.100 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.11719E-02 ppm1      4.118 ppm2      3.302 CV     1
 ASSI { 2050}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 27   and name HB2 ))
      2.800     1.000     1.000 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.16680E-02 ppm1      3.019 ppm2      1.946 CV     1
 ASSI { 2073}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HG3 ))
      2.400     0.700     0.700 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.42660E-02 ppm1      2.365 ppm2      2.085 CV     1
 ASSI { 2076}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HB3 ))
      2.000     0.500     0.500 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.14450E-01 ppm1      2.364 ppm2      2.022 CV     1
 ASSI { 2248}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG3 ))
      2.600     0.900     0.900 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.27320E-02 ppm1      3.183 ppm2      1.618 CV     1
 ASSI { 2606}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     1.000 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.897 ppm2      1.718 CV     1
 OR { 2606}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HD3 ))
 ASSI { 2783}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.300     0.700     0.700 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.57189E-02 ppm1      4.092 ppm2      1.268 CV     1
 ASSI { 2806}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.600     0.900     0.900 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.25695E-02 ppm1      4.944 ppm2      3.673 CV     1
 ASSI { 2856}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.21036E-02 ppm1      5.147 ppm2      7.720 CV     1
 ASSI { 2894}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.000     1.100     1.100 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.12196E-02 ppm1      4.936 ppm2      8.734 CV     1
 ASSI { 2939}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.20450E-02 ppm1      4.056 ppm2      7.297 CV     1
 ASSI { 2950}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 31   and name HD2 ))
      2.500     0.800     0.800 peak  2950 spectrum    1 weight  0.10000E+01 volume  0.31818E-02 ppm1      4.293 ppm2      3.306 CV     1
 ASSI { 3041}
   (( segid "    " and resid 21   and name HZ  ))
   (  segid "    " and resid 21   and name HD% )
      3.200     1.300     1.300 peak  3041 spectrum    1 weight  0.10000E+01 volume  0.73538E-03 ppm1      6.314 ppm2      7.414 CV     1
 ASSI { 3043}
   (  segid "    " and resid 21   and name HE% )
   (  segid "    " and resid 21   and name HD% )
      2.300     0.700     0.700 peak  3043 spectrum    1 weight  0.10000E+01 volume  0.57487E-02 ppm1      6.887 ppm2      7.409 CV     1
 ASSI { 3061}
   (( segid "    " and resid 21   and name HZ  ))
   (  segid "    " and resid 21   and name HE% )
      2.000     0.500     0.500 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.11842E-01 ppm1      6.319 ppm2      6.895 CV     1
 ASSI { 3072}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     3.300     2.700 peak  3072 spectrum    1 weight  0.10000E+01 volume  0.68210E-03 ppm1      6.759 ppm2      9.294 CV     1
 ASSI { 3160}
   (( segid "    " and resid 29   and name HG  ))
   (  segid "    " and resid 29   and name HD1%)
      2.300     0.600     0.600 peak  3160 spectrum    1 weight  0.10000E+01 volume  0.64073E-02 ppm1      1.597 ppm2      0.869 CV     1
 OR { 3160}
   (( segid "    " and resid 29   and name HG  ))
   (  segid "    " and resid 29   and name HD2%)
 ASSI { 3161}
   (( segid "    " and resid 29   and name HB3 ))
   (  segid "    " and resid 29   and name HD1%)
      3.000     1.100     1.100 peak  3161 spectrum    1 weight  0.10000E+01 volume  0.11895E-02 ppm1      1.694 ppm2      0.864 CV     1
 OR { 3161}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 29   and name HD2%)
 OR { 3161}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 29   and name HD1%)
 ASSI { 3165}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      3.200     1.300     1.300 peak  3165 spectrum    1 weight  0.10000E+01 volume  0.77311E-03 ppm1      4.422 ppm2      0.949 CV     1
 ASSI { 3172}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.100     0.600     0.600 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.90450E-02 ppm1      4.657 ppm2      2.383 CV     1
 ASSI { 3173}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HB2 ))
      2.900     1.100     1.100 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.13606E-02 ppm1      4.294 ppm2      2.374 CV     1
 ASSI { 3174}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 15   and name HB2 ))
      2.700     2.700     3.300 peak  3174 spectrum    1 weight  0.10000E+01 volume  0.24845E-02 ppm1      4.119 ppm2      2.374 CV     1
 ASSI { 3179}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HE  ))
      2.700     2.700     3.300 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.21165E-02 ppm1      2.148 ppm2      8.026 CV     1
 ASSI { 3180}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HE  ))
      2.700     0.900     0.900 peak  3180 spectrum    1 weight  0.10000E+01 volume  0.23610E-02 ppm1      1.869 ppm2      8.034 CV     1
 ASSI { 3181}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.500     0.800     0.800 peak  3181 spectrum    1 weight  0.10000E+01 volume  0.34519E-02 ppm1      4.190 ppm2      7.500 CV     1
 ASSI { 3182}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak  3182 spectrum    1 weight  0.10000E+01 volume  0.22234E-02 ppm1      3.133 ppm2      7.499 CV     1
 ASSI { 3183}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.400     0.700     0.700 peak  3183 spectrum    1 weight  0.10000E+01 volume  0.45076E-02 ppm1      4.190 ppm2      3.142 CV     1
 ASSI { 3184}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      2.200     2.200     3.800 peak  3184 spectrum    1 weight  0.10000E+01 volume  0.80886E-02 ppm1      4.190 ppm2      2.920 CV     1
 ASSI { 3223}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.100     2.100     3.900 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.90748E-02 ppm1      1.526 ppm2      8.500 CV     1
 ASSI { 3225}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.100     0.600     0.600 peak  3225 spectrum    1 weight  0.10000E+01 volume  0.87472E-02 ppm1      3.579 ppm2      8.997 CV     1
 ASSI { 3271}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
      2.600     2.600     3.400 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.29008E-02 ppm1      3.154 ppm2      1.151 CV     1
 ASSI { 3312}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     2.700     3.300 peak  3312 spectrum    1 weight  0.10000E+01 volume  0.20029E-02 ppm1      2.786 ppm2      9.830 CV     1
 ASSI { 3313}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     3.000     3.000 peak  3313 spectrum    1 weight  0.10000E+01 volume  0.12288E-02 ppm1      1.617 ppm2      9.830 CV     1
 ASSI { 3314}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.300     1.300     1.300 peak  3314 spectrum    1 weight  0.10000E+01 volume  0.69137E-03 ppm1      1.500 ppm2      9.830 CV     1
 ASSI { 3316}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak  3316 spectrum    1 weight  0.10000E+01 volume  0.40674E-03 ppm1      1.266 ppm2      9.830 CV     1
 ASSI { 3317}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.700     1.700 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.31451E-03 ppm1      1.149 ppm2      9.830 CV     1
 ASSI { 3319}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak  3319 spectrum    1 weight  0.10000E+01 volume  0.61392E-03 ppm1      4.913 ppm2      9.293 CV     1
 ASSI { 3321}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak  3321 spectrum    1 weight  0.10000E+01 volume  0.19473E-02 ppm1      4.656 ppm2      9.293 CV     1
 ASSI { 3323}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     2.800     3.200 peak  3323 spectrum    1 weight  0.10000E+01 volume  0.16750E-02 ppm1      4.118 ppm2      9.293 CV     1
 ASSI { 3324}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.84195E-03 ppm1      3.580 ppm2      9.293 CV     1
 ASSI { 3325}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak  3325 spectrum    1 weight  0.10000E+01 volume  0.66026E-03 ppm1      3.300 ppm2      9.293 CV     1
 ASSI { 3326}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.200     1.200 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.93429E-03 ppm1      2.786 ppm2      9.293 CV     1
 ASSI { 3327}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak  3327 spectrum    1 weight  0.10000E+01 volume  0.82011E-03 ppm1      2.365 ppm2      9.293 CV     1
 ASSI { 3332}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     2.500     3.500 peak  3332 spectrum    1 weight  0.10000E+01 volume  0.39086E-02 ppm1      5.147 ppm2      9.000 CV     1
 ASSI { 3334}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     3.200     2.800 peak  3334 spectrum    1 weight  0.10000E+01 volume  0.80522E-03 ppm1      4.118 ppm2      9.000 CV     1
 ASSI { 3337}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak  3337 spectrum    1 weight  0.10000E+01 volume  0.38623E-02 ppm1      2.061 ppm2      9.000 CV     1
 OR { 3337}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 3339}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.000     1.000 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.15932E-02 ppm1      1.149 ppm2      9.000 CV     1
 ASSI { 3340}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
      3.500     1.500     1.500 peak  3340 spectrum    1 weight  0.10000E+01 volume  0.51000E-03 ppm1      1.079 ppm2      9.000 CV     1
 ASSI { 3341}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.000     0.500     0.500 peak  3341 spectrum    1 weight  0.10000E+01 volume  0.12325E-01 ppm1      4.329 ppm2      8.995 CV     1
 ASSI { 3344}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.12596E-02 ppm1      2.295 ppm2      8.995 CV     1
 ASSI { 3345}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.100     1.100 peak  3345 spectrum    1 weight  0.10000E+01 volume  0.13155E-02 ppm1      2.178 ppm2      8.995 CV     1
 ASSI { 3347}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.700     0.900     0.900 peak  3347 spectrum    1 weight  0.10000E+01 volume  0.21873E-02 ppm1      4.656 ppm2      8.895 CV     1
 ASSI { 3350}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.300     1.400     1.400 peak  3350 spectrum    1 weight  0.10000E+01 volume  0.68276E-03 ppm1      3.440 ppm2      8.895 CV     1
 ASSI { 3351}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.000     1.000 peak  3351 spectrum    1 weight  0.10000E+01 volume  0.15250E-02 ppm1      3.113 ppm2      8.895 CV     1
 ASSI { 3354}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     2.400     3.600 peak  3354 spectrum    1 weight  0.10000E+01 volume  0.42991E-02 ppm1      2.061 ppm2      8.895 CV     1
 ASSI { 3355}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     3.400     2.600 peak  3355 spectrum    1 weight  0.10000E+01 volume  0.53416E-03 ppm1      1.617 ppm2      8.895 CV     1
 ASSI { 3356}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.000     1.000 peak  3356 spectrum    1 weight  0.10000E+01 volume  0.15409E-02 ppm1      1.429 ppm2      8.895 CV     1
 ASSI { 3357}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      2.800     1.000     1.000 peak  3357 spectrum    1 weight  0.10000E+01 volume  0.18586E-02 ppm1      1.172 ppm2      8.895 CV     1
 ASSI { 3365}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.100     0.600     0.600 peak  3365 spectrum    1 weight  0.10000E+01 volume  0.98923E-02 ppm1      5.147 ppm2      8.732 CV     1
 ASSI { 3367}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.400     1.400     1.400 peak  3367 spectrum    1 weight  0.10000E+01 volume  0.59638E-03 ppm1      4.703 ppm2      8.732 CV     1
 ASSI { 3368}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak  3368 spectrum    1 weight  0.10000E+01 volume  0.23041E-02 ppm1      4.609 ppm2      8.732 CV     1
 ASSI { 3369}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak  3369 spectrum    1 weight  0.10000E+01 volume  0.18659E-02 ppm1      4.329 ppm2      8.732 CV     1
 ASSI { 3372}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.800     0.800 peak  3372 spectrum    1 weight  0.10000E+01 volume  0.28929E-02 ppm1      3.767 ppm2      8.732 CV     1
 ASSI { 3373}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.300     2.300     3.700 peak  3373 spectrum    1 weight  0.10000E+01 volume  0.53185E-02 ppm1      3.580 ppm2      8.732 CV     1
 ASSI { 3374}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak  3374 spectrum    1 weight  0.10000E+01 volume  0.95547E-03 ppm1      3.347 ppm2      8.732 CV     1
 ASSI { 3375}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.84592E-03 ppm1      3.277 ppm2      8.732 CV     1
 ASSI { 3376}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     3.000     3.000 peak  3376 spectrum    1 weight  0.10000E+01 volume  0.12590E-02 ppm1      3.136 ppm2      8.732 CV     1
 ASSI { 3377}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.800     0.800 peak  3377 spectrum    1 weight  0.10000E+01 volume  0.31057E-02 ppm1      3.019 ppm2      8.732 CV     1
 OR { 3377}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 3379}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.200     1.300     1.300 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.76252E-03 ppm1      2.037 ppm2      8.732 CV     1
 OR { 3379}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 3381}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.800     0.800 peak  3381 spectrum    1 weight  0.10000E+01 volume  0.27552E-02 ppm1      1.523 ppm2      8.732 CV     1
 OR { 3381}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 3383}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak  3383 spectrum    1 weight  0.10000E+01 volume  0.20096E-02 ppm1      1.266 ppm2      8.732 CV     1
 ASSI { 3384}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.300     1.300 peak  3384 spectrum    1 weight  0.10000E+01 volume  0.71056E-03 ppm1      1.149 ppm2      8.732 CV     1
 ASSI { 3385}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.400     1.400 peak  3385 spectrum    1 weight  0.10000E+01 volume  0.64569E-03 ppm1      1.079 ppm2      8.732 CV     1
 ASSI { 3386}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.100     0.500     0.500 peak  3386 spectrum    1 weight  0.10000E+01 volume  0.11130E-01 ppm1      4.656 ppm2      8.673 CV     1
 ASSI { 3392}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     2.800     3.200 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.16885E-02 ppm1      1.617 ppm2      8.673 CV     1
 ASSI { 3393}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.400     1.500     1.500 peak  3393 spectrum    1 weight  0.10000E+01 volume  0.55104E-03 ppm1      1.429 ppm2      8.673 CV     1
 ASSI { 3395}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     2.900     3.100 peak  3395 spectrum    1 weight  0.10000E+01 volume  0.13917E-02 ppm1      1.149 ppm2      8.673 CV     1
 ASSI { 3399}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     2.600     3.400 peak  3399 spectrum    1 weight  0.10000E+01 volume  0.27764E-02 ppm1      3.019 ppm2      8.667 CV     1
 OR { 3399}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 3402}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      1.900     0.500     0.500 peak  3402 spectrum    1 weight  0.10000E+01 volume  0.16300E-01 ppm1      2.061 ppm2      8.667 CV     1
 OR { 3402}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 3403}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.300     1.300 peak  3403 spectrum    1 weight  0.10000E+01 volume  0.83963E-03 ppm1      1.079 ppm2      8.667 CV     1
 ASSI { 3404}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.400     1.400     1.400 peak  3404 spectrum    1 weight  0.10000E+01 volume  0.55567E-03 ppm1      5.147 ppm2      8.661 CV     1
 ASSI { 3407}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.300     0.700     0.700 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.53019E-02 ppm1      4.399 ppm2      8.621 CV     1
 ASSI { 3408}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      3.300     1.400     1.400 peak  3408 spectrum    1 weight  0.10000E+01 volume  0.61260E-03 ppm1      4.258 ppm2      8.621 CV     1
 ASSI { 3414}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      3.200     1.300     1.300 peak  3414 spectrum    1 weight  0.10000E+01 volume  0.81812E-03 ppm1      1.219 ppm2      8.615 CV     1
 ASSI { 3420}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     2.600     3.400 peak  3420 spectrum    1 weight  0.10000E+01 volume  0.25090E-02 ppm1      3.300 ppm2      8.585 CV     1
 OR { 3420}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 3421}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     2.600     3.400 peak  3421 spectrum    1 weight  0.10000E+01 volume  0.29422E-02 ppm1      3.136 ppm2      8.585 CV     1
 ASSI { 3422}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak  3422 spectrum    1 weight  0.10000E+01 volume  0.20827E-02 ppm1      2.926 ppm2      8.585 CV     1
 ASSI { 3423}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.900     0.900 peak  3423 spectrum    1 weight  0.10000E+01 volume  0.24904E-02 ppm1      2.318 ppm2      8.585 CV     1
 ASSI { 3424}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     0.900     0.900 peak  3424 spectrum    1 weight  0.10000E+01 volume  0.19665E-02 ppm1      2.248 ppm2      8.585 CV     1
 ASSI { 3425}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak  3425 spectrum    1 weight  0.10000E+01 volume  0.31798E-02 ppm1      2.154 ppm2      8.585 CV     1
 ASSI { 3427}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.300     2.300     3.700 peak  3427 spectrum    1 weight  0.10000E+01 volume  0.55402E-02 ppm1      1.874 ppm2      8.585 CV     1
 ASSI { 3428}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak  3428 spectrum    1 weight  0.10000E+01 volume  0.12570E-02 ppm1      1.710 ppm2      8.585 CV     1
 OR { 3428}
   (( segid "    " and resid 32   and name HD3 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 3429}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 31   and name HN  ))
      3.100     3.100     2.900 peak  3429 spectrum    1 weight  0.10000E+01 volume  0.10170E-02 ppm1      1.617 ppm2      8.585 CV     1
 ASSI { 3430}
   (  segid "    " and resid 28   and name HB% )
   (( segid "    " and resid 31   and name HN  ))
      3.200     1.300     1.300 peak  3430 spectrum    1 weight  0.10000E+01 volume  0.76153E-03 ppm1      1.429 ppm2      8.585 CV     1
 ASSI { 3431}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      2.900     1.100     1.100 peak  3431 spectrum    1 weight  0.10000E+01 volume  0.13622E-02 ppm1      1.149 ppm2      8.585 CV     1
 ASSI { 3433}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      3.800     1.800     1.800 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.28747E-03 ppm1      0.868 ppm2      8.585 CV     1
 OR { 3433}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 3435}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.400     2.400     3.600 peak  3435 spectrum    1 weight  0.10000E+01 volume  0.46963E-02 ppm1      4.609 ppm2      8.521 CV     1
 ASSI { 3436}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.900     1.000     1.000 peak  3436 spectrum    1 weight  0.10000E+01 volume  0.15336E-02 ppm1      4.399 ppm2      8.521 CV     1
 ASSI { 3440}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     2.900     3.100 peak  3440 spectrum    1 weight  0.10000E+01 volume  0.13721E-02 ppm1      3.744 ppm2      8.504 CV     1
 ASSI { 3441}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.300     1.300 peak  3441 spectrum    1 weight  0.10000E+01 volume  0.72744E-03 ppm1      3.651 ppm2      8.504 CV     1
 ASSI { 3444}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.000     0.500     0.500 peak  3444 spectrum    1 weight  0.10000E+01 volume  0.14406E-01 ppm1      4.048 ppm2      8.498 CV     1
 ASSI { 3445}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.300     1.300 peak  3445 spectrum    1 weight  0.10000E+01 volume  0.78933E-03 ppm1      3.580 ppm2      8.498 CV     1
 ASSI { 3446}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak  3446 spectrum    1 weight  0.10000E+01 volume  0.49809E-03 ppm1      2.926 ppm2      8.498 CV     1
 ASSI { 3448}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.000     1.000 peak  3448 spectrum    1 weight  0.10000E+01 volume  0.15631E-02 ppm1      1.780 ppm2      8.498 CV     1
 ASSI { 3450}
   (( segid "    " and resid 9    and name HG13))
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak  3450 spectrum    1 weight  0.10000E+01 volume  0.45870E-03 ppm1      1.149 ppm2      8.498 CV     1
 ASSI { 3451}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
      2.300     0.700     0.700 peak  3451 spectrum    1 weight  0.10000E+01 volume  0.55137E-02 ppm1      0.868 ppm2      8.498 CV     1
 ASSI { 3453}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      4.000     2.000     2.000 peak  3453 spectrum    1 weight  0.10000E+01 volume  0.19675E-03 ppm1      1.242 ppm2      8.492 CV     1
 ASSI { 3455}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.300     0.600     0.600 peak  3455 spectrum    1 weight  0.10000E+01 volume  0.65066E-02 ppm1      4.399 ppm2      8.480 CV     1
 ASSI { 3456}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     2.900     3.100 peak  3456 spectrum    1 weight  0.10000E+01 volume  0.15979E-02 ppm1      4.282 ppm2      8.480 CV     1
 ASSI { 3460}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.600     1.600     1.600 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.38093E-03 ppm1      4.609 ppm2      8.469 CV     1
 ASSI { 3464}
   (( segid "    " and resid 5    and name HA2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.200     0.600     0.600 peak  3464 spectrum    1 weight  0.10000E+01 volume  0.82176E-02 ppm1      4.001 ppm2      8.416 CV     1
 OR { 3464}
   (( segid "    " and resid 5    and name HA1 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI { 3467}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      3.700     1.700     1.700 peak  3467 spectrum    1 weight  0.10000E+01 volume  0.31490E-03 ppm1      1.219 ppm2      8.416 CV     1
 ASSI { 3469}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.400     0.700     0.700 peak  3469 spectrum    1 weight  0.10000E+01 volume  0.41436E-02 ppm1      4.562 ppm2      8.375 CV     1
 ASSI { 3471}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      2.600     2.600     3.400 peak  3471 spectrum    1 weight  0.10000E+01 volume  0.26364E-02 ppm1      4.282 ppm2      8.375 CV     1
 ASSI { 3472}
   (( segid "    " and resid 5    and name HA2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.800     1.800     1.800 peak  3472 spectrum    1 weight  0.10000E+01 volume  0.27446E-03 ppm1      4.001 ppm2      8.375 CV     1
 OR { 3472}
   (( segid "    " and resid 5    and name HA1 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 3473}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.200     1.300     1.300 peak  3473 spectrum    1 weight  0.10000E+01 volume  0.83864E-03 ppm1      3.931 ppm2      8.375 CV     1
 ASSI { 3477}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.200     2.200     3.800 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.76021E-02 ppm1      4.492 ppm2      8.241 CV     1
 ASSI { 3478}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak  3478 spectrum    1 weight  0.10000E+01 volume  0.94819E-03 ppm1      4.071 ppm2      8.241 CV     1
 ASSI { 3479}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak  3479 spectrum    1 weight  0.10000E+01 volume  0.53085E-02 ppm1      3.347 ppm2      8.241 CV     1
 ASSI { 3480}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     2.400     3.600 peak  3480 spectrum    1 weight  0.10000E+01 volume  0.51033E-02 ppm1      3.277 ppm2      8.241 CV     1
 ASSI { 3484}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak  3484 spectrum    1 weight  0.10000E+01 volume  0.12884E-02 ppm1      2.178 ppm2      8.241 CV     1
 ASSI { 3488}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.200     2.200     3.800 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.71089E-02 ppm1      4.913 ppm2      8.235 CV     1
 ASSI { 3489}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      3.300     3.300     2.700 peak  3489 spectrum    1 weight  0.10000E+01 volume  0.68044E-03 ppm1      3.580 ppm2      8.235 CV     1
 ASSI { 3490}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.300     3.300     2.700 peak  3490 spectrum    1 weight  0.10000E+01 volume  0.71718E-03 ppm1      3.113 ppm2      8.235 CV     1
 ASSI { 3492}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.200     1.200 peak  3492 spectrum    1 weight  0.10000E+01 volume  0.10902E-02 ppm1      2.037 ppm2      8.235 CV     1
 ASSI { 3493}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak  3493 spectrum    1 weight  0.10000E+01 volume  0.16521E-02 ppm1      1.523 ppm2      8.235 CV     1
 ASSI { 3496}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak  3496 spectrum    1 weight  0.10000E+01 volume  0.30392E-03 ppm1      5.147 ppm2      8.229 CV     1
 ASSI { 3498}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.200     2.200     3.800 peak  3498 spectrum    1 weight  0.10000E+01 volume  0.78701E-02 ppm1      4.235 ppm2      8.229 CV     1
 ASSI { 3499}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.16505E-02 ppm1      3.744 ppm2      8.229 CV     1
 ASSI { 3500}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     2.800     3.200 peak  3500 spectrum    1 weight  0.10000E+01 volume  0.18706E-02 ppm1      3.651 ppm2      8.229 CV     1
 ASSI { 3502}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.300     1.400     1.400 peak  3502 spectrum    1 weight  0.10000E+01 volume  0.63676E-03 ppm1      1.874 ppm2      8.229 CV     1
 ASSI { 3503}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak  3503 spectrum    1 weight  0.10000E+01 volume  0.12497E-02 ppm1      1.804 ppm2      8.229 CV     1
 ASSI { 3504}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     2.900     3.100 peak  3504 spectrum    1 weight  0.10000E+01 volume  0.14463E-02 ppm1      1.266 ppm2      8.229 CV     1
 ASSI { 3505}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 12   and name HN  ))
      3.100     3.100     2.900 peak  3505 spectrum    1 weight  0.10000E+01 volume  0.97632E-03 ppm1      1.079 ppm2      8.229 CV     1
 ASSI { 3513}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HE  ))
      3.400     1.500     1.500 peak  3513 spectrum    1 weight  0.10000E+01 volume  0.51431E-03 ppm1      4.656 ppm2      8.094 CV     1
 ASSI { 3516}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.500     1.500     1.500 peak  3516 spectrum    1 weight  0.10000E+01 volume  0.48419E-03 ppm1      4.399 ppm2      8.071 CV     1
 ASSI { 3518}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 9    and name HN  ))
      2.000     0.500     0.500 peak  3518 spectrum    1 weight  0.10000E+01 volume  0.14267E-01 ppm1      3.955 ppm2      8.071 CV     1
 OR { 3518}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 3524}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     2.700     3.300 peak  3524 spectrum    1 weight  0.10000E+01 volume  0.22637E-02 ppm1      4.609 ppm2      8.059 CV     1
 ASSI { 3525}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak  3525 spectrum    1 weight  0.10000E+01 volume  0.88828E-03 ppm1      3.580 ppm2      8.059 CV     1
 ASSI { 3530}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 31   and name HE  ))
      3.700     1.700     1.700 peak  3530 spectrum    1 weight  0.10000E+01 volume  0.36339E-03 ppm1      4.773 ppm2      8.036 CV     1
 ASSI { 3531}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 31   and name HE  ))
      3.200     1.300     1.300 peak  3531 spectrum    1 weight  0.10000E+01 volume  0.78701E-03 ppm1      4.305 ppm2      8.036 CV     1
 ASSI { 3532}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 31   and name HE  ))
      3.200     1.300     1.300 peak  3532 spectrum    1 weight  0.10000E+01 volume  0.75061E-03 ppm1      4.118 ppm2      8.036 CV     1
 ASSI { 3533}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HE  ))
      3.000     1.100     1.100 peak  3533 spectrum    1 weight  0.10000E+01 volume  0.11487E-02 ppm1      3.767 ppm2      8.036 CV     1
 ASSI { 3536}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 31   and name HE  ))
      4.000     2.000     2.000 peak  3536 spectrum    1 weight  0.10000E+01 volume  0.19811E-03 ppm1      1.617 ppm2      8.036 CV     1
 ASSI { 3537}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 31   and name HE  ))
      3.700     1.700     1.700 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.33294E-03 ppm1      1.079 ppm2      8.036 CV     1
 ASSI { 3539}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.800     1.800     1.800 peak  3539 spectrum    1 weight  0.10000E+01 volume  0.30206E-03 ppm1      4.399 ppm2      7.995 CV     1
 ASSI { 3540}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak  3540 spectrum    1 weight  0.10000E+01 volume  0.22578E-02 ppm1      4.329 ppm2      7.995 CV     1
 ASSI { 3541}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.700     1.700     1.700 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.35379E-03 ppm1      4.048 ppm2      7.995 CV     1
 ASSI { 3544}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.800     3.800     2.200 peak  3544 spectrum    1 weight  0.10000E+01 volume  0.29872E-03 ppm1      2.762 ppm2      7.995 CV     1
 ASSI { 3547}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak  3547 spectrum    1 weight  0.10000E+01 volume  0.21456E-02 ppm1      1.617 ppm2      7.995 CV     1
 ASSI { 3549}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 28   and name HN  ))
      3.300     1.300     1.300 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.71354E-03 ppm1      1.149 ppm2      7.995 CV     1
 ASSI { 3550}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 28   and name HN  ))
      2.900     2.900     3.100 peak  3550 spectrum    1 weight  0.10000E+01 volume  0.14152E-02 ppm1      1.079 ppm2      7.995 CV     1
 ASSI { 3551}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 28   and name HN  ))
      4.000     2.000     2.000 peak  3551 spectrum    1 weight  0.10000E+01 volume  0.22624E-03 ppm1      0.868 ppm2      7.995 CV     1
 OR { 3551}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 3552}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.000     3.000     3.000 peak  3552 spectrum    1 weight  0.10000E+01 volume  0.12351E-02 ppm1      3.113 ppm2      7.989 CV     1
 ASSI { 3554}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak  3554 spectrum    1 weight  0.10000E+01 volume  0.25384E-03 ppm1      1.687 ppm2      7.989 CV     1
 ASSI { 3576}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.900     0.900 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.27241E-02 ppm1      4.796 ppm2      7.849 CV     1
 ASSI { 3577}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.300     1.400     1.400 peak  3577 spectrum    1 weight  0.10000E+01 volume  0.63841E-03 ppm1      4.656 ppm2      7.849 CV     1
 ASSI { 3578}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.600     1.600     1.600 peak  3578 spectrum    1 weight  0.10000E+01 volume  0.38523E-03 ppm1      4.609 ppm2      7.849 CV     1
 ASSI { 3580}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     2.700     3.300 peak  3580 spectrum    1 weight  0.10000E+01 volume  0.24044E-02 ppm1      3.580 ppm2      7.849 CV     1
 ASSI { 3583}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak  3583 spectrum    1 weight  0.10000E+01 volume  0.19013E-02 ppm1      2.809 ppm2      7.849 CV     1
 ASSI { 3584}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak  3584 spectrum    1 weight  0.10000E+01 volume  0.10266E-02 ppm1      2.084 ppm2      7.849 CV     1
 ASSI { 3585}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak  3585 spectrum    1 weight  0.10000E+01 volume  0.24272E-02 ppm1      1.453 ppm2      7.849 CV     1
 ASSI { 3588}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.100     0.500     0.500 peak  3588 spectrum    1 weight  0.10000E+01 volume  0.10680E-01 ppm1      4.422 ppm2      7.761 CV     1
 ASSI { 3591}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      3.100     1.200     1.200 peak  3591 spectrum    1 weight  0.10000E+01 volume  0.10508E-02 ppm1      0.892 ppm2      7.761 CV     1
 ASSI { 3592}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak  3592 spectrum    1 weight  0.10000E+01 volume  0.57487E-03 ppm1      4.188 ppm2      7.755 CV     1
 ASSI { 3593}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak  3593 spectrum    1 weight  0.10000E+01 volume  0.45606E-02 ppm1      1.897 ppm2      7.755 CV     1
 OR { 3593}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 3594}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 37   and name HN  ))
      2.100     2.100     3.900 peak  3594 spectrum    1 weight  0.10000E+01 volume  0.91542E-02 ppm1      1.663 ppm2      7.755 CV     1
 ASSI { 3599}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak  3599 spectrum    1 weight  0.10000E+01 volume  0.47691E-02 ppm1      4.071 ppm2      7.750 CV     1
 ASSI { 3600}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.100     1.200     1.200 peak  3600 spectrum    1 weight  0.10000E+01 volume  0.88498E-03 ppm1      3.767 ppm2      7.750 CV     1
 ASSI { 3601}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      4.300     2.300     2.300 peak  3601 spectrum    1 weight  0.10000E+01 volume  0.13314E-03 ppm1      3.277 ppm2      7.750 CV     1
 ASSI { 3602}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.100     1.200     1.200 peak  3602 spectrum    1 weight  0.10000E+01 volume  0.92601E-03 ppm1      3.089 ppm2      7.750 CV     1
 OR { 3602}
   (( segid "    " and resid 33   and name HD3 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 3603}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     0.700     0.700 peak  3603 spectrum    1 weight  0.10000E+01 volume  0.48882E-02 ppm1      4.095 ppm2      7.726 CV     1
 ASSI { 3605}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 20   and name HN  ))
      4.000     2.000     2.000 peak  3605 spectrum    1 weight  0.10000E+01 volume  0.20903E-03 ppm1      3.136 ppm2      7.726 CV     1
 ASSI { 3606}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak  3606 spectrum    1 weight  0.10000E+01 volume  0.35743E-03 ppm1      3.043 ppm2      7.726 CV     1
 ASSI { 3610}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.900     0.900 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.25987E-02 ppm1      1.266 ppm2      7.720 CV     1
 ASSI { 3611}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak  3611 spectrum    1 weight  0.10000E+01 volume  0.32963E-02 ppm1      4.703 ppm2      7.650 CV     1
 ASSI { 3613}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     0.900     0.900 peak  3613 spectrum    1 weight  0.10000E+01 volume  0.25219E-02 ppm1      4.071 ppm2      7.650 CV     1
 ASSI { 3614}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     1.100     1.100 peak  3614 spectrum    1 weight  0.10000E+01 volume  0.11501E-02 ppm1      3.277 ppm2      7.650 CV     1
 ASSI { 3615}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      3.200     1.300     1.300 peak  3615 spectrum    1 weight  0.10000E+01 volume  0.78106E-03 ppm1      3.183 ppm2      7.650 CV     1
 ASSI { 3630}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  3630 spectrum    1 weight  0.10000E+01 volume  0.85817E-03 ppm1      3.393 ppm2      7.533 CV     1
 ASSI { 3631}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      3.300     1.300     1.300 peak  3631 spectrum    1 weight  0.10000E+01 volume  0.70957E-03 ppm1      3.253 ppm2      7.533 CV     1
 ASSI { 3632}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak  3632 spectrum    1 weight  0.10000E+01 volume  0.40013E-03 ppm1      3.019 ppm2      7.533 CV     1
 ASSI { 3633}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     2.600     3.400 peak  3633 spectrum    1 weight  0.10000E+01 volume  0.29574E-02 ppm1      2.786 ppm2      7.533 CV     1
 ASSI { 3640}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     2.800     3.200 peak  3640 spectrum    1 weight  0.10000E+01 volume  0.19914E-02 ppm1      3.323 ppm2      7.504 CV     1
 ASSI { 3642}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.200     0.600     0.600 peak  3642 spectrum    1 weight  0.10000E+01 volume  0.71586E-02 ppm1      2.926 ppm2      7.504 CV     1
 ASSI { 3646}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     0.800     0.800 peak  3646 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      4.399 ppm2      7.492 CV     1
 ASSI { 3647}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.600     1.600     1.600 peak  3647 spectrum    1 weight  0.10000E+01 volume  0.38953E-03 ppm1      4.329 ppm2      7.492 CV     1
 ASSI { 3648}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.300     0.600     0.600 peak  3648 spectrum    1 weight  0.10000E+01 volume  0.61955E-02 ppm1      4.048 ppm2      7.492 CV     1
 ASSI { 3649}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     1.000 peak  3649 spectrum    1 weight  0.10000E+01 volume  0.16157E-02 ppm1      3.955 ppm2      7.492 CV     1
 ASSI { 3651}
   (  segid "    " and resid 28   and name HB% )
   (( segid "    " and resid 29   and name HN  ))
      2.300     0.700     0.700 peak  3651 spectrum    1 weight  0.10000E+01 volume  0.60267E-02 ppm1      1.429 ppm2      7.492 CV     1
 ASSI { 3652}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 29   and name HN  ))
      2.400     0.700     0.700 peak  3652 spectrum    1 weight  0.10000E+01 volume  0.44977E-02 ppm1      0.868 ppm2      7.492 CV     1
 OR { 3652}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 3654}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak  3654 spectrum    1 weight  0.10000E+01 volume  0.17392E-02 ppm1      2.645 ppm2      7.428 CV     1
 ASSI { 3655}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak  3655 spectrum    1 weight  0.10000E+01 volume  0.18368E-02 ppm1      4.329 ppm2      7.422 CV     1
 ASSI { 3657}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.400     2.400     3.600 peak  3657 spectrum    1 weight  0.10000E+01 volume  0.48320E-02 ppm1      2.061 ppm2      7.422 CV     1
 ASSI { 3660}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 21   and name HD% )
      2.800     2.800     3.200 peak  3660 spectrum    1 weight  0.10000E+01 volume  0.17643E-02 ppm1      1.944 ppm2      7.416 CV     1
 ASSI { 3661}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     2.500     3.500 peak  3661 spectrum    1 weight  0.10000E+01 volume  0.35809E-02 ppm1      1.617 ppm2      7.416 CV     1
 ASSI { 3662}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      3.000     1.100     1.100 peak  3662 spectrum    1 weight  0.10000E+01 volume  0.12275E-02 ppm1      0.868 ppm2      7.416 CV     1
 ASSI { 3663}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 21   and name HD% )
      2.500     0.800     0.800 peak  3663 spectrum    1 weight  0.10000E+01 volume  0.37563E-02 ppm1      5.147 ppm2      7.411 CV     1
 ASSI { 3665}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 21   and name HD% )
      2.200     0.600     0.600 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.68309E-02 ppm1      3.674 ppm2      7.411 CV     1
 ASSI { 3666}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 21   and name HD% )
      2.800     2.800     3.200 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.17147E-02 ppm1      3.580 ppm2      7.411 CV     1
 ASSI { 3667}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 12   and name HE% )
      2.700     0.900     0.900 peak  3667 spectrum    1 weight  0.10000E+01 volume  0.20400E-02 ppm1      3.440 ppm2      7.411 CV     1
 ASSI { 3668}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 21   and name HD% )
      2.300     2.300     3.700 peak  3668 spectrum    1 weight  0.10000E+01 volume  0.51298E-02 ppm1      3.019 ppm2      7.411 CV     1
 OR { 3668}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 21   and name HD% )
 ASSI { 3669}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 21   and name HD% )
      2.100     0.600     0.600 peak  3669 spectrum    1 weight  0.10000E+01 volume  0.96871E-02 ppm1      2.786 ppm2      7.411 CV     1
 ASSI { 3670}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak  3670 spectrum    1 weight  0.10000E+01 volume  0.12437E-02 ppm1      1.874 ppm2      7.411 CV     1
 ASSI { 3672}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 21   and name HD% )
      2.400     2.400     3.600 peak  3672 spectrum    1 weight  0.10000E+01 volume  0.48353E-02 ppm1      1.383 ppm2      7.411 CV     1
 ASSI { 3673}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 21   and name HD% )
      2.700     2.700     3.300 peak  3673 spectrum    1 weight  0.10000E+01 volume  0.20367E-02 ppm1      1.266 ppm2      7.411 CV     1
 ASSI { 3674}
   (  segid "    " and resid 27   and name HD1%)
   (  segid "    " and resid 21   and name HD% )
      2.000     0.500     0.500 peak  3674 spectrum    1 weight  0.10000E+01 volume  0.11868E-01 ppm1      1.149 ppm2      7.411 CV     1
 ASSI { 3675}
   (  segid "    " and resid 27   and name HD2%)
   (  segid "    " and resid 21   and name HD% )
      2.500     0.800     0.800 peak  3675 spectrum    1 weight  0.10000E+01 volume  0.35743E-02 ppm1      1.079 ppm2      7.411 CV     1
 ASSI { 3683}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 21   and name HD% )
      3.000     3.000     3.000 peak  3683 spectrum    1 weight  0.10000E+01 volume  0.12894E-02 ppm1      1.523 ppm2      7.405 CV     1
 OR { 3683}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 21   and name HD% )
 ASSI { 3684}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  3684 spectrum    1 weight  0.10000E+01 volume  0.35280E-02 ppm1      4.071 ppm2      7.399 CV     1
 ASSI { 3685}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.000     1.100     1.100 peak  3685 spectrum    1 weight  0.10000E+01 volume  0.11964E-02 ppm1      3.767 ppm2      7.300 CV     1
 ASSI { 3688}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.100     1.200     1.200 peak  3688 spectrum    1 weight  0.10000E+01 volume  0.96540E-03 ppm1      2.154 ppm2      7.300 CV     1
 ASSI { 3690}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.500     1.500 peak  3690 spectrum    1 weight  0.10000E+01 volume  0.48882E-03 ppm1      4.188 ppm2      7.294 CV     1
 ASSI { 3693}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 32   and name HN  ))
      3.400     3.400     2.600 peak  3693 spectrum    1 weight  0.10000E+01 volume  0.58017E-03 ppm1      3.300 ppm2      7.294 CV     1
 OR { 3693}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 3698}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      3.300     3.300     2.700 peak  3698 spectrum    1 weight  0.10000E+01 volume  0.66555E-03 ppm1      0.868 ppm2      7.294 CV     1
 OR { 3698}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 3708}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HE  ))
      3.300     3.300     2.700 peak  3708 spectrum    1 weight  0.10000E+01 volume  0.72049E-03 ppm1      4.095 ppm2      7.212 CV     1
 ASSI { 3710}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak  3710 spectrum    1 weight  0.10000E+01 volume  0.11160E-02 ppm1      4.399 ppm2      7.206 CV     1
 ASSI { 3715}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 19   and name HE  ))
      3.400     3.400     2.600 peak  3715 spectrum    1 weight  0.10000E+01 volume  0.56825E-03 ppm1      4.773 ppm2      7.200 CV     1
 ASSI { 3716}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 19   and name HE  ))
      3.300     3.300     2.700 peak  3716 spectrum    1 weight  0.10000E+01 volume  0.71983E-03 ppm1      3.767 ppm2      7.200 CV     1
 ASSI { 3717}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 19   and name HE  ))
      2.800     1.000     1.000 peak  3717 spectrum    1 weight  0.10000E+01 volume  0.18901E-02 ppm1      3.580 ppm2      7.200 CV     1
 ASSI { 3719}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 19   and name HE  ))
      2.700     0.900     0.900 peak  3719 spectrum    1 weight  0.10000E+01 volume  0.22187E-02 ppm1      2.926 ppm2      7.200 CV     1
 ASSI { 3720}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.200     2.200     3.800 peak  3720 spectrum    1 weight  0.10000E+01 volume  0.66721E-02 ppm1      2.786 ppm2      7.200 CV     1
 ASSI { 3721}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 19   and name HE  ))
      2.900     2.900     3.100 peak  3721 spectrum    1 weight  0.10000E+01 volume  0.15062E-02 ppm1      2.318 ppm2      7.200 CV     1
 ASSI { 3722}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 19   and name HE  ))
      2.700     2.700     3.300 peak  3722 spectrum    1 weight  0.10000E+01 volume  0.19940E-02 ppm1      2.248 ppm2      7.200 CV     1
 ASSI { 3725}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     2.500     3.500 peak  3725 spectrum    1 weight  0.10000E+01 volume  0.34519E-02 ppm1      1.617 ppm2      7.200 CV     1
 ASSI { 3727}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      2.400     2.400     3.600 peak  3727 spectrum    1 weight  0.10000E+01 volume  0.43984E-02 ppm1      1.149 ppm2      7.200 CV     1
 ASSI { 3731}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak  3731 spectrum    1 weight  0.10000E+01 volume  0.23720E-02 ppm1      3.674 ppm2      7.183 CV     1
 ASSI { 3747}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      2.200     0.600     0.600 peak  3747 spectrum    1 weight  0.10000E+01 volume  0.82077E-02 ppm1      4.399 ppm2      7.048 CV     1
 ASSI { 3752}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.500     1.500     1.500 peak  3752 spectrum    1 weight  0.10000E+01 volume  0.49345E-03 ppm1      2.762 ppm2      7.048 CV     1
 ASSI { 3753}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.900     2.900     3.100 peak  3753 spectrum    1 weight  0.10000E+01 volume  0.14426E-02 ppm1      2.669 ppm2      7.048 CV     1
 ASSI { 3755}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.300     1.400     1.400 peak  3755 spectrum    1 weight  0.10000E+01 volume  0.68342E-03 ppm1      1.687 ppm2      7.048 CV     1
 OR { 3755}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
 ASSI { 3756}
   (( segid "    " and resid 29   and name HG  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.300     1.400     1.400 peak  3756 spectrum    1 weight  0.10000E+01 volume  0.62981E-03 ppm1      1.593 ppm2      7.048 CV     1
 ASSI { 3757}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.400     1.500     1.500 peak  3757 spectrum    1 weight  0.10000E+01 volume  0.55038E-03 ppm1      1.429 ppm2      7.048 CV     1
 ASSI { 3758}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.200     1.300     1.300 peak  3758 spectrum    1 weight  0.10000E+01 volume  0.78072E-03 ppm1      1.149 ppm2      7.048 CV     1
 ASSI { 3759}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 26   and name HD2 ))
      2.600     0.900     0.900 peak  3759 spectrum    1 weight  0.10000E+01 volume  0.25166E-02 ppm1      0.868 ppm2      7.048 CV     1
 ASSI { 3764}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 21   and name HE% )
      3.300     3.300     2.700 peak  3764 spectrum    1 weight  0.10000E+01 volume  0.62153E-03 ppm1      4.095 ppm2      6.896 CV     1
 ASSI { 3765}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 21   and name HE% )
      2.800     1.000     1.000 peak  3765 spectrum    1 weight  0.10000E+01 volume  0.18385E-02 ppm1      3.580 ppm2      6.896 CV     1
 ASSI { 3766}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 21   and name HE% )
      2.600     2.600     3.400 peak  3766 spectrum    1 weight  0.10000E+01 volume  0.26692E-02 ppm1      3.323 ppm2      6.896 CV     1
 ASSI { 3767}
   (( segid "    " and resid 19   and name HD3 ))
   (  segid "    " and resid 21   and name HE% )
      3.200     3.200     2.800 peak  3767 spectrum    1 weight  0.10000E+01 volume  0.82309E-03 ppm1      3.043 ppm2      6.896 CV     1
 ASSI { 3768}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 21   and name HE% )
      2.700     2.700     3.300 peak  3768 spectrum    1 weight  0.10000E+01 volume  0.20903E-02 ppm1      2.926 ppm2      6.896 CV     1
 ASSI { 3770}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 21   and name HE% )
      2.600     2.600     3.400 peak  3770 spectrum    1 weight  0.10000E+01 volume  0.30365E-02 ppm1      1.266 ppm2      6.896 CV     1
 ASSI { 3771}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 21   and name HE% )
      3.100     3.100     2.900 peak  3771 spectrum    1 weight  0.10000E+01 volume  0.10514E-02 ppm1      5.147 ppm2      6.890 CV     1
 ASSI { 3772}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 21   and name HE% )
      3.400     1.500     1.500 peak  3772 spectrum    1 weight  0.10000E+01 volume  0.53185E-03 ppm1      4.773 ppm2      6.890 CV     1
 ASSI { 3774}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 21   and name HE% )
      3.400     3.400     2.600 peak  3774 spectrum    1 weight  0.10000E+01 volume  0.55667E-03 ppm1      3.674 ppm2      6.890 CV     1
 ASSI { 3775}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 21   and name HE% )
      3.200     1.300     1.300 peak  3775 spectrum    1 weight  0.10000E+01 volume  0.82474E-03 ppm1      3.142 ppm2      6.895 CV     1
 ASSI { 3776}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 21   and name HE% )
      2.400     2.400     3.600 peak  3776 spectrum    1 weight  0.10000E+01 volume  0.45539E-02 ppm1      2.786 ppm2      6.890 CV     1
 OR { 3776}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 21   and name HE% )
 ASSI { 3779}
   (  segid "    " and resid 27   and name HD1%)
   (  segid "    " and resid 21   and name HE% )
      2.300     0.700     0.700 peak  3779 spectrum    1 weight  0.10000E+01 volume  0.59109E-02 ppm1      1.149 ppm2      6.890 CV     1
 ASSI { 3782}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 34   and name HD2 ))
      3.800     1.800     1.800 peak  3782 spectrum    1 weight  0.10000E+01 volume  0.28866E-03 ppm1      4.773 ppm2      6.762 CV     1
 ASSI { 3783}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HD2 ))
      3.300     1.400     1.400 peak  3783 spectrum    1 weight  0.10000E+01 volume  0.66555E-03 ppm1      4.703 ppm2      6.762 CV     1
 ASSI { 3786}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 34   and name HD2 ))
      2.100     0.600     0.600 peak  3786 spectrum    1 weight  0.10000E+01 volume  0.96176E-02 ppm1      3.767 ppm2      6.762 CV     1
 ASSI { 3787}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 34   and name HD2 ))
      2.200     2.200     3.800 peak  3787 spectrum    1 weight  0.10000E+01 volume  0.76153E-02 ppm1      3.300 ppm2      6.762 CV     1
 OR { 3787}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 34   and name HD2 ))
 ASSI { 3790}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.100     1.200     1.200 peak  3790 spectrum    1 weight  0.10000E+01 volume  0.10107E-02 ppm1      2.318 ppm2      6.762 CV     1
 ASSI { 3791}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 34   and name HD2 ))
      2.900     1.100     1.100 peak  3791 spectrum    1 weight  0.10000E+01 volume  0.13678E-02 ppm1      2.248 ppm2      6.762 CV     1
 ASSI { 3792}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 34   and name HD2 ))
      2.700     2.700     3.300 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.23908E-02 ppm1      2.107 ppm2      6.762 CV     1
 OR { 3792}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 34   and name HD2 ))
 ASSI { 3793}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.000     1.100     1.100 peak  3793 spectrum    1 weight  0.10000E+01 volume  0.12212E-02 ppm1      1.874 ppm2      6.762 CV     1
 ASSI { 3796}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 34   and name HD2 ))
      2.700     2.700     3.300 peak  3796 spectrum    1 weight  0.10000E+01 volume  0.23064E-02 ppm1      1.453 ppm2      6.762 CV     1
 ASSI { 3797}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 34   and name HD2 ))
      3.400     1.400     1.400 peak  3797 spectrum    1 weight  0.10000E+01 volume  0.57255E-03 ppm1      1.149 ppm2      6.762 CV     1
 ASSI { 3803}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 21   and name HZ  ))
      3.300     3.300     2.700 peak  3803 spectrum    1 weight  0.10000E+01 volume  0.61028E-03 ppm1      4.188 ppm2      6.323 CV     1
 ASSI { 3804}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 21   and name HZ  ))
      3.800     1.800     1.800 peak  3804 spectrum    1 weight  0.10000E+01 volume  0.29429E-03 ppm1      4.095 ppm2      6.323 CV     1
 ASSI { 3806}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 21   and name HZ  ))
      2.700     0.900     0.900 peak  3806 spectrum    1 weight  0.10000E+01 volume  0.23197E-02 ppm1      3.136 ppm2      6.323 CV     1
 ASSI { 3807}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 21   and name HZ  ))
      3.100     1.200     1.200 peak  3807 spectrum    1 weight  0.10000E+01 volume  0.88299E-03 ppm1      3.043 ppm2      6.323 CV     1
 ASSI { 3808}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 21   and name HZ  ))
      2.700     0.900     0.900 peak  3808 spectrum    1 weight  0.10000E+01 volume  0.23213E-02 ppm1      2.926 ppm2      6.323 CV     1
 ASSI { 3809}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name HZ  ))
      3.000     1.100     1.100 peak  3809 spectrum    1 weight  0.10000E+01 volume  0.11924E-02 ppm1      1.359 ppm2      6.323 CV     1
 ASSI { 3810}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 21   and name HZ  ))
      2.800     1.000     1.000 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.18239E-02 ppm1      1.266 ppm2      6.323 CV     1
 ASSI { 3812}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 21   and name HZ  ))
      3.400     1.400     1.400 peak  3812 spectrum    1 weight  0.10000E+01 volume  0.59042E-03 ppm1      1.733 ppm2      6.318 CV     1
 ASSI { 3914}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.200     1.200 peak  3914 spectrum    1 weight  0.10000E+01 volume  0.87008E-03 ppm1      4.703 ppm2      4.500 CV     1
 ASSI { 3943}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak  3943 spectrum    1 weight  0.10000E+01 volume  0.21383E-02 ppm1      5.147 ppm2      4.330 CV     1
 ASSI { 3957}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HD2 ))
      2.400     0.700     0.700 peak  3957 spectrum    1 weight  0.10000E+01 volume  0.43057E-02 ppm1      4.773 ppm2      4.295 CV     1
 ASSI { 3974}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     3.000     3.000 peak  3974 spectrum    1 weight  0.10000E+01 volume  0.12361E-02 ppm1      4.703 ppm2      4.225 CV     1
 ASSI { 3990}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HD3 ))
      2.300     0.600     0.600 peak  3990 spectrum    1 weight  0.10000E+01 volume  0.64536E-02 ppm1      4.773 ppm2      4.126 CV     1
 ASSI { 4090}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.600     2.600     3.400 peak  4090 spectrum    1 weight  0.10000E+01 volume  0.28882E-02 ppm1      4.329 ppm2      3.763 CV     1
 ASSI { 4111}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      2.600     0.800     0.800 peak  4111 spectrum    1 weight  0.10000E+01 volume  0.31014E-02 ppm1      4.703 ppm2      3.740 CV     1
 ASSI { 4112}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      2.100     0.500     0.500 peak  4112 spectrum    1 weight  0.10000E+01 volume  0.10984E-01 ppm1      4.492 ppm2      3.740 CV     1
 ASSI { 4120}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.600     3.600     2.400 peak  4120 spectrum    1 weight  0.10000E+01 volume  0.39748E-03 ppm1      5.147 ppm2      3.670 CV     1
 ASSI { 4128}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 11   and name HD3 ))
      2.300     2.300     3.700 peak  4128 spectrum    1 weight  0.10000E+01 volume  0.55998E-02 ppm1      4.703 ppm2      3.664 CV     1
 ASSI { 4129}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HD3 ))
      2.100     0.600     0.600 peak  4129 spectrum    1 weight  0.10000E+01 volume  0.87571E-02 ppm1      4.492 ppm2      3.664 CV     1
 ASSI { 4165}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.400     1.400     1.400 peak  4165 spectrum    1 weight  0.10000E+01 volume  0.55435E-03 ppm1      4.656 ppm2      3.454 CV     1
 ASSI { 4174}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 26   and name HB2 ))
      2.900     1.000     1.000 peak  4174 spectrum    1 weight  0.10000E+01 volume  0.15095E-02 ppm1      3.674 ppm2      3.389 CV     1
 ASSI { 4177}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.300     1.400     1.400 peak  4177 spectrum    1 weight  0.10000E+01 volume  0.62451E-03 ppm1      4.609 ppm2      3.354 CV     1
 ASSI { 4185}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 31   and name HD2 ))
      2.800     1.000     1.000 peak  4185 spectrum    1 weight  0.10000E+01 volume  0.16799E-02 ppm1      4.773 ppm2      3.307 CV     1
 ASSI { 4211}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB3 ))
      2.400     0.700     0.700 peak  4211 spectrum    1 weight  0.10000E+01 volume  0.45242E-02 ppm1      4.399 ppm2      3.267 CV     1
 ASSI { 4213}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 26   and name HB3 ))
      3.300     1.300     1.300 peak  4213 spectrum    1 weight  0.10000E+01 volume  0.69501E-03 ppm1      3.674 ppm2      3.249 CV     1
 ASSI { 4234}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
      3.600     1.600     1.600 peak  4234 spectrum    1 weight  0.10000E+01 volume  0.38225E-03 ppm1      4.656 ppm2      3.161 CV     1
 ASSI { 4250}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      4.100     2.100     2.100 peak  4250 spectrum    1 weight  0.10000E+01 volume  0.17441E-03 ppm1      4.656 ppm2      3.103 CV     1
 ASSI { 4251}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      3.700     1.700     1.700 peak  4251 spectrum    1 weight  0.10000E+01 volume  0.34386E-03 ppm1      4.329 ppm2      3.103 CV     1
 ASSI { 4264}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.700     1.800     1.800 peak  4264 spectrum    1 weight  0.10000E+01 volume  0.31232E-03 ppm1      4.936 ppm2      3.033 CV     1
 OR { 4264}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI { 4266}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.800     1.800     1.800 peak  4266 spectrum    1 weight  0.10000E+01 volume  0.29746E-03 ppm1      5.147 ppm2      3.027 CV     1
 OR { 4266}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI { 4268}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.300     3.300     2.700 peak  4268 spectrum    1 weight  0.10000E+01 volume  0.62087E-03 ppm1      4.235 ppm2      3.027 CV     1
 OR { 4268}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI { 4269}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.800     2.800     3.200 peak  4269 spectrum    1 weight  0.10000E+01 volume  0.18107E-02 ppm1      3.674 ppm2      3.027 CV     1
 OR { 4269}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI { 4271}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      3.400     1.500     1.500 peak  4271 spectrum    1 weight  0.10000E+01 volume  0.52523E-03 ppm1      3.323 ppm2      3.027 CV     1
 OR { 4271}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 4277}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.400     3.400     2.600 peak  4277 spectrum    1 weight  0.10000E+01 volume  0.53681E-03 ppm1      3.393 ppm2      3.021 CV     1
 OR { 4277}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI { 4292}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      2.800     1.000     1.000 peak  4292 spectrum    1 weight  0.10000E+01 volume  0.16683E-02 ppm1      3.323 ppm2      2.916 CV     1
 ASSI { 4293}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB3 ))
      2.000     0.500     0.500 peak  4293 spectrum    1 weight  0.10000E+01 volume  0.12768E-01 ppm1      3.136 ppm2      2.916 CV     1
 ASSI { 4295}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.800     1.800     1.800 peak  4295 spectrum    1 weight  0.10000E+01 volume  0.28902E-03 ppm1      4.913 ppm2      2.840 CV     1
 ASSI { 4301}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 14   and name HB3 ))
      3.100     3.100     2.900 peak  4301 spectrum    1 weight  0.10000E+01 volume  0.90516E-03 ppm1      4.118 ppm2      2.805 CV     1
 ASSI { 4307}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      3.000     3.000     3.000 peak  4307 spectrum    1 weight  0.10000E+01 volume  0.11491E-02 ppm1      5.147 ppm2      2.793 CV     1
 ASSI { 4338}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HD3 ))
      1.900     0.400     0.400 peak  4338 spectrum    1 weight  0.10000E+01 volume  0.19652E-01 ppm1      3.183 ppm2      2.676 CV     1
 ASSI { 4361}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
      2.200     0.600     0.600 peak  4361 spectrum    1 weight  0.10000E+01 volume  0.81051E-02 ppm1      4.329 ppm2      2.653 CV     1
 ASSI { 4459}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HG2 ))
      3.200     1.300     1.300 peak  4459 spectrum    1 weight  0.10000E+01 volume  0.85453E-03 ppm1      3.955 ppm2      2.325 CV     1
 ASSI { 4474}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HG3 ))
      3.300     1.400     1.400 peak  4474 spectrum    1 weight  0.10000E+01 volume  0.61856E-03 ppm1      3.955 ppm2      2.255 CV     1
 ASSI { 4493}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.900     1.100     1.100 peak  4493 spectrum    1 weight  0.10000E+01 volume  0.13410E-02 ppm1      3.955 ppm2      2.156 CV     1
 ASSI { 4516}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.300     0.600     0.600 peak  4516 spectrum    1 weight  0.10000E+01 volume  0.63411E-02 ppm1      4.785 ppm2      2.097 CV     1
 ASSI { 4535}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 15   and name HG2 ))
      3.100     1.200     1.200 peak  4535 spectrum    1 weight  0.10000E+01 volume  0.10177E-02 ppm1      3.300 ppm2      2.086 CV     1
 OR { 4535}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 15   and name HG3 ))
 OR { 4535}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 15   and name HG3 ))
 ASSI { 4546}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
      3.100     1.200     1.200 peak  4546 spectrum    1 weight  0.10000E+01 volume  0.92138E-03 ppm1      5.147 ppm2      2.051 CV     1
 OR { 4546}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI { 4548}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 13   and name HB3 ))
      3.100     1.200     1.200 peak  4548 spectrum    1 weight  0.10000E+01 volume  0.10061E-02 ppm1      3.580 ppm2      2.051 CV     1
 OR { 4548}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI { 4549}
   (( segid "    " and resid 35   and name HG3 ))
   (( segid "    " and resid 35   and name HB3 ))
      2.900     1.000     1.000 peak  4549 spectrum    1 weight  0.10000E+01 volume  0.15221E-02 ppm1      2.575 ppm2      2.051 CV     1
 ASSI { 4552}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.600     2.600     3.400 peak  4552 spectrum    1 weight  0.10000E+01 volume  0.29101E-02 ppm1      4.773 ppm2      2.033 CV     1
 ASSI { 4554}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 15   and name HB3 ))
      3.200     3.200     2.800 peak  4554 spectrum    1 weight  0.10000E+01 volume  0.88034E-03 ppm1      3.300 ppm2      2.033 CV     1
 OR { 4554}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI { 4569}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.500     2.500     3.500 peak  4569 spectrum    1 weight  0.10000E+01 volume  0.32169E-02 ppm1      3.113 ppm2      1.946 CV     1
 ASSI { 4589}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.300     1.400     1.400 peak  4589 spectrum    1 weight  0.10000E+01 volume  0.61458E-03 ppm1      4.703 ppm2      1.875 CV     1
 ASSI { 4590}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      2.900     2.900     3.100 peak  4590 spectrum    1 weight  0.10000E+01 volume  0.15138E-02 ppm1      4.492 ppm2      1.875 CV     1
 ASSI { 4592}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      2.800     1.000     1.000 peak  4592 spectrum    1 weight  0.10000E+01 volume  0.17170E-02 ppm1      3.955 ppm2      1.875 CV     1
 ASSI { 4599}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 4    and name HB3 ))
      2.900     1.000     1.000 peak  4599 spectrum    1 weight  0.10000E+01 volume  0.15055E-02 ppm1      3.206 ppm2      1.799 CV     1
 OR { 4599}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HB3 ))
 ASSI { 4601}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 11   and name HG3 ))
      3.100     1.200     1.200 peak  4601 spectrum    1 weight  0.10000E+01 volume  0.10379E-02 ppm1      4.703 ppm2      1.794 CV     1
 ASSI { 4602}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HG3 ))
      2.900     2.900     3.100 peak  4602 spectrum    1 weight  0.10000E+01 volume  0.13894E-02 ppm1      4.492 ppm2      1.794 CV     1
 ASSI { 4606}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 9    and name HB  ))
      3.100     3.100     2.900 peak  4606 spectrum    1 weight  0.10000E+01 volume  0.90020E-03 ppm1      3.955 ppm2      1.794 CV     1
 OR { 4606}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 9    and name HB  ))
 ASSI { 4621}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     1.000 peak  4621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.897 ppm2      1.718 CV     1
 OR { 4621}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HD3 ))
 ASSI { 4625}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      1.900     0.400     0.400 peak  4625 spectrum    1 weight  0.10000E+01 volume  0.20321E-01 ppm1      4.048 ppm2      1.688 CV     1
 OR { 4625}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
 ASSI { 4633}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.500     1.600     1.600 peak  4633 spectrum    1 weight  0.10000E+01 volume  0.44878E-03 ppm1      4.188 ppm2      1.677 CV     1
 OR { 4633}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
 ASSI { 4636}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HG3 ))
      2.300     0.700     0.700 peak  4636 spectrum    1 weight  0.10000E+01 volume  0.51960E-02 ppm1      1.780 ppm2      1.653 CV     1
 OR { 4636}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI { 4645}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HG  ))
      2.900     1.100     1.100 peak  4645 spectrum    1 weight  0.10000E+01 volume  0.14231E-02 ppm1      3.955 ppm2      1.612 CV     1
 ASSI { 4647}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 27   and name HG  ))
      2.200     0.600     0.600 peak  4647 spectrum    1 weight  0.10000E+01 volume  0.70990E-02 ppm1      3.300 ppm2      1.612 CV     1
 OR { 4647}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 27   and name HG  ))
 ASSI { 4650}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 27   and name HG  ))
      3.000     1.100     1.100 peak  4650 spectrum    1 weight  0.10000E+01 volume  0.12143E-02 ppm1      2.318 ppm2      1.612 CV     1
 ASSI { 4652}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HG  ))
      2.800     1.000     1.000 peak  4652 spectrum    1 weight  0.10000E+01 volume  0.17862E-02 ppm1      1.944 ppm2      1.612 CV     1
 ASSI { 4657}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HG3 ))
      3.200     1.300     1.300 peak  4657 spectrum    1 weight  0.10000E+01 volume  0.77046E-03 ppm1      4.188 ppm2      1.607 CV     1
 OR { 4657}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI { 4664}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.300     1.400     1.400 peak  4664 spectrum    1 weight  0.10000E+01 volume  0.65000E-03 ppm1      5.147 ppm2      1.525 CV     1
 OR { 4664}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
 ASSI { 4665}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.700     0.900     0.900 peak  4665 spectrum    1 weight  0.10000E+01 volume  0.23395E-02 ppm1      4.703 ppm2      1.525 CV     1
 ASSI { 4667}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 10   and name HB3 ))
      2.800     1.000     1.000 peak  4667 spectrum    1 weight  0.10000E+01 volume  0.17359E-02 ppm1      3.744 ppm2      1.525 CV     1
 ASSI { 4668}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 10   and name HB3 ))
      2.400     2.400     3.600 peak  4668 spectrum    1 weight  0.10000E+01 volume  0.41667E-02 ppm1      3.651 ppm2      1.525 CV     1
 OR { 4668}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 4669}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 10   and name HB2 ))
      3.100     1.200     1.200 peak  4669 spectrum    1 weight  0.10000E+01 volume  0.10647E-02 ppm1      3.580 ppm2      1.525 CV     1
 ASSI { 4683}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
      1.800     0.400     0.400 peak  4683 spectrum    1 weight  0.10000E+01 volume  0.24616E-01 ppm1      2.084 ppm2      1.466 CV     1
 ASSI { 4685}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 28   and name HB% )
      2.100     2.100     3.900 peak  4685 spectrum    1 weight  0.10000E+01 volume  0.98823E-02 ppm1      4.329 ppm2      1.443 CV     1
 ASSI { 4686}
   (( segid "    " and resid 31   and name HD3 ))
   (  segid "    " and resid 28   and name HB% )
      3.000     3.000     3.000 peak  4686 spectrum    1 weight  0.10000E+01 volume  0.12100E-02 ppm1      3.300 ppm2      1.443 CV     1
 OR { 4686}
   (( segid "    " and resid 31   and name HD2 ))
   (  segid "    " and resid 28   and name HB% )
 ASSI { 4688}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.700     2.700     3.300 peak  4688 spectrum    1 weight  0.10000E+01 volume  0.20897E-02 ppm1      2.762 ppm2      1.443 CV     1
 ASSI { 4711}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 10   and name HG2 ))
      3.300     1.400     1.400 peak  4711 spectrum    1 weight  0.10000E+01 volume  0.66721E-03 ppm1      3.674 ppm2      1.355 CV     1
 ASSI { 4713}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 10   and name HG2 ))
      3.000     3.000     3.000 peak  4713 spectrum    1 weight  0.10000E+01 volume  0.11716E-02 ppm1      3.580 ppm2      1.349 CV     1
 ASSI { 4718}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 10   and name HG2 ))
      3.300     1.300     1.300 peak  4718 spectrum    1 weight  0.10000E+01 volume  0.68541E-03 ppm1      3.744 ppm2      1.343 CV     1
 ASSI { 4728}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
      4.000     2.000     2.000 peak  4728 spectrum    1 weight  0.10000E+01 volume  0.21499E-03 ppm1      5.147 ppm2      1.268 CV     1
 ASSI { 4730}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 10   and name HG3 ))
      3.000     1.100     1.100 peak  4730 spectrum    1 weight  0.10000E+01 volume  0.12738E-02 ppm1      4.703 ppm2      1.268 CV     1
 ASSI { 4731}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG3 ))
      2.400     0.700     0.700 peak  4731 spectrum    1 weight  0.10000E+01 volume  0.41800E-02 ppm1      4.492 ppm2      1.268 CV     1
 ASSI { 4735}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 10   and name HG3 ))
      3.200     3.200     2.800 peak  4735 spectrum    1 weight  0.10000E+01 volume  0.79860E-03 ppm1      3.580 ppm2      1.268 CV     1
 ASSI { 4766}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.300     0.600     0.600 peak  4766 spectrum    1 weight  0.10000E+01 volume  0.64900E-02 ppm1      4.399 ppm2      1.227 CV     1
 ASSI { 4767}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
      2.100     0.600     0.600 peak  4767 spectrum    1 weight  0.10000E+01 volume  0.93760E-02 ppm1      4.282 ppm2      1.227 CV     1
 ASSI { 4799}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
      3.800     1.800     1.800 peak  4799 spectrum    1 weight  0.10000E+01 volume  0.29386E-03 ppm1      5.147 ppm2      1.151 CV     1
 ASSI { 4800}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
      2.300     0.700     0.700 peak  4800 spectrum    1 weight  0.10000E+01 volume  0.56262E-02 ppm1      4.773 ppm2      1.151 CV     1
 ASSI { 4801}
   (( segid "    " and resid 15   and name HD2 ))
   (  segid "    " and resid 27   and name HD1%)
      2.700     0.900     0.900 peak  4801 spectrum    1 weight  0.10000E+01 volume  0.24808E-02 ppm1      4.305 ppm2      1.151 CV     1
 ASSI { 4802}
   (( segid "    " and resid 15   and name HD3 ))
   (  segid "    " and resid 27   and name HD1%)
      2.700     0.900     0.900 peak  4802 spectrum    1 weight  0.10000E+01 volume  0.21042E-02 ppm1      4.118 ppm2      1.151 CV     1
 ASSI { 4804}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 9    and name HG13))
      3.400     1.500     1.500 peak  4804 spectrum    1 weight  0.10000E+01 volume  0.53813E-03 ppm1      3.955 ppm2      1.151 CV     1
 OR { 4804}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 9    and name HG13))
 ASSI { 4806}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
      3.600     1.700     1.700 peak  4806 spectrum    1 weight  0.10000E+01 volume  0.37034E-03 ppm1      3.674 ppm2      1.151 CV     1
 ASSI { 4807}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
      2.900     1.000     1.000 peak  4807 spectrum    1 weight  0.10000E+01 volume  0.14751E-02 ppm1      3.580 ppm2      1.151 CV     1
 ASSI { 4808}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
      2.100     0.600     0.600 peak  4808 spectrum    1 weight  0.10000E+01 volume  0.98492E-02 ppm1      3.323 ppm2      1.151 CV     1
 ASSI { 4810}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
      2.900     2.900     3.100 peak  4810 spectrum    1 weight  0.10000E+01 volume  0.14453E-02 ppm1      3.019 ppm2      1.151 CV     1
 OR { 4810}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 ASSI { 4811}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
      3.200     1.300     1.300 peak  4811 spectrum    1 weight  0.10000E+01 volume  0.84592E-03 ppm1      2.926 ppm2      1.151 CV     1
 ASSI { 4812}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
      2.600     2.600     3.400 peak  4812 spectrum    1 weight  0.10000E+01 volume  0.30805E-02 ppm1      2.786 ppm2      1.151 CV     1
 ASSI { 4813}
   (( segid "    " and resid 31   and name HG2 ))
   (  segid "    " and resid 27   and name HD1%)
      2.800     1.000     1.000 peak  4813 spectrum    1 weight  0.10000E+01 volume  0.16409E-02 ppm1      2.318 ppm2      1.151 CV     1
 ASSI { 4814}
   (( segid "    " and resid 31   and name HG3 ))
   (  segid "    " and resid 27   and name HD1%)
      3.000     1.100     1.100 peak  4814 spectrum    1 weight  0.10000E+01 volume  0.11196E-02 ppm1      2.248 ppm2      1.151 CV     1
 ASSI { 4815}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
      3.800     1.800     1.800 peak  4815 spectrum    1 weight  0.10000E+01 volume  0.29951E-03 ppm1      2.154 ppm2      1.151 CV     1
 ASSI { 4823}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 27   and name HD2%)
      2.800     1.000     1.000 peak  4823 spectrum    1 weight  0.10000E+01 volume  0.16766E-02 ppm1      4.773 ppm2      1.075 CV     1
 ASSI { 4824}
   (( segid "    " and resid 15   and name HD3 ))
   (  segid "    " and resid 27   and name HD2%)
      2.900     1.100     1.100 peak  4824 spectrum    1 weight  0.10000E+01 volume  0.14238E-02 ppm1      4.118 ppm2      1.075 CV     1
 ASSI { 4826}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 27   and name HD2%)
      2.800     1.000     1.000 peak  4826 spectrum    1 weight  0.10000E+01 volume  0.16177E-02 ppm1      3.113 ppm2      1.075 CV     1
 ASSI { 4827}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 27   and name HD2%)
      3.200     1.200     1.200 peak  4827 spectrum    1 weight  0.10000E+01 volume  0.87108E-03 ppm1      2.037 ppm2      1.075 CV     1
 OR { 4827}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 27   and name HD2%)
 ASSI { 4830}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 27   and name HD2%)
      2.700     0.900     0.900 peak  4830 spectrum    1 weight  0.10000E+01 volume  0.20271E-02 ppm1      4.703 ppm2      1.069 CV     1
 ASSI { 4831}
   (( segid "    " and resid 15   and name HD2 ))
   (  segid "    " and resid 27   and name HD2%)
      3.000     1.100     1.100 peak  4831 spectrum    1 weight  0.10000E+01 volume  0.11822E-02 ppm1      4.305 ppm2      1.069 CV     1
 ASSI { 4836}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 27   and name HD2%)
      2.200     0.600     0.600 peak  4836 spectrum    1 weight  0.10000E+01 volume  0.75723E-02 ppm1      3.019 ppm2      1.069 CV     1
 ASSI { 4838}
   (( segid "    " and resid 31   and name HG2 ))
   (  segid "    " and resid 27   and name HD2%)
      3.300     1.300     1.300 peak  4838 spectrum    1 weight  0.10000E+01 volume  0.72744E-03 ppm1      2.318 ppm2      1.069 CV     1
 ASSI { 4903}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      3.900     1.900     1.900 peak  4903 spectrum    1 weight  0.10000E+01 volume  0.26010E-03 ppm1      4.492 ppm2      0.870 CV     1
 ASSI { 4906}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      2.000     0.500     0.500 peak  4906 spectrum    1 weight  0.10000E+01 volume  0.13126E-01 ppm1      4.048 ppm2      0.870 CV     1
 ASSI { 4912}
   (( segid "    " and resid 32   and name HE2 ))
   (  segid "    " and resid 29   and name HD2%)
      3.100     1.200     1.200 peak  4912 spectrum    1 weight  0.10000E+01 volume  0.90980E-03 ppm1      2.973 ppm2      0.870 CV     1
 OR { 4912}
   (( segid "    " and resid 32   and name HE3 ))
   (  segid "    " and resid 29   and name HD2%)
 ASSI { 4931}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.300     0.700     0.700 peak  4931 spectrum    1 weight  0.10000E+01 volume  0.53946E-02 ppm1      7.532 ppm2      9.830 CV     1
 ASSI { 4932}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 22   and name HN  ))
      2.700     2.700     3.300 peak  4932 spectrum    1 weight  0.10000E+01 volume  0.20092E-02 ppm1      7.415 ppm2      9.830 CV     1
 ASSI { 4936}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.100     0.500     0.500 peak  4936 spectrum    1 weight  0.10000E+01 volume  0.10657E-01 ppm1      7.836 ppm2      9.293 CV     1
 ASSI { 4940}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 14   and name HN  ))
      3.300     1.300     1.300 peak  4940 spectrum    1 weight  0.10000E+01 volume  0.71950E-03 ppm1      7.415 ppm2      9.000 CV     1
 ASSI { 4941}
   (( segid "    " and resid 19   and name HE  ))
   (( segid "    " and resid 14   and name HN  ))
      3.300     3.300     2.700 peak  4941 spectrum    1 weight  0.10000E+01 volume  0.68905E-03 ppm1      7.204 ppm2      9.000 CV     1
 ASSI { 4942}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak  4942 spectrum    1 weight  0.10000E+01 volume  0.11239E-02 ppm1      6.900 ppm2      9.000 CV     1
 ASSI { 4946}
   (( segid "    " and resid 23   and name HE  ))
   (( segid "    " and resid 25   and name HN  ))
      3.100     1.200     1.200 peak  4946 spectrum    1 weight  0.10000E+01 volume  0.97698E-03 ppm1      8.093 ppm2      8.895 CV     1
 ASSI { 4947}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.600     0.600 peak  4947 spectrum    1 weight  0.10000E+01 volume  0.65364E-02 ppm1      7.415 ppm2      8.895 CV     1
 ASSI { 4948}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.100     1.200     1.200 peak  4948 spectrum    1 weight  0.10000E+01 volume  0.90649E-03 ppm1      7.204 ppm2      8.895 CV     1
 ASSI { 4949}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     1.800     1.800 peak  4949 spectrum    1 weight  0.10000E+01 volume  0.31411E-03 ppm1      7.041 ppm2      8.895 CV     1
 ASSI { 4953}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 21   and name HN  ))
      2.900     2.900     3.100 peak  4953 spectrum    1 weight  0.10000E+01 volume  0.14320E-02 ppm1      6.900 ppm2      8.737 CV     1
 ASSI { 4954}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.300     0.600     0.600 peak  4954 spectrum    1 weight  0.10000E+01 volume  0.61723E-02 ppm1      8.233 ppm2      8.732 CV     1
 ASSI { 4958}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     2.700     3.300 peak  4958 spectrum    1 weight  0.10000E+01 volume  0.20168E-02 ppm1      7.719 ppm2      8.732 CV     1
 ASSI { 4960}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 21   and name HN  ))
      2.300     0.600     0.600 peak  4960 spectrum    1 weight  0.10000E+01 volume  0.63345E-02 ppm1      7.415 ppm2      8.732 CV     1
 ASSI { 4965}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak  4965 spectrum    1 weight  0.10000E+01 volume  0.83566E-03 ppm1      7.532 ppm2      8.673 CV     1
 ASSI { 4966}
   (  segid "    " and resid 12   and name HE% )
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak  4966 spectrum    1 weight  0.10000E+01 volume  0.46268E-02 ppm1      7.415 ppm2      8.673 CV     1
 OR { 4966}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 4968}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     0.900     0.900 peak  4968 spectrum    1 weight  0.10000E+01 volume  0.19785E-02 ppm1      8.233 ppm2      8.667 CV     1
 ASSI { 4979}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak  4979 spectrum    1 weight  0.10000E+01 volume  0.48816E-02 ppm1      7.508 ppm2      8.585 CV     1
 ASSI { 4981}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak  4981 spectrum    1 weight  0.10000E+01 volume  0.43223E-02 ppm1      7.298 ppm2      8.585 CV     1
 ASSI { 4982}
   (( segid "    " and resid 19   and name HE  ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     2.800     3.200 peak  4982 spectrum    1 weight  0.10000E+01 volume  0.18358E-02 ppm1      7.204 ppm2      8.585 CV     1
 ASSI { 4984}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.400     1.500     1.500 peak  4984 spectrum    1 weight  0.10000E+01 volume  0.54078E-03 ppm1      6.760 ppm2      8.585 CV     1
 ASSI { 4988}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     0.900     0.900 peak  4988 spectrum    1 weight  0.10000E+01 volume  0.26056E-02 ppm1      8.070 ppm2      8.487 CV     1
 ASSI { 5006}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.900     0.900 peak  5006 spectrum    1 weight  0.10000E+01 volume  0.26817E-02 ppm1      7.836 ppm2      8.241 CV     1
 ASSI { 5007}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak  5007 spectrum    1 weight  0.10000E+01 volume  0.17256E-02 ppm1      7.765 ppm2      8.241 CV     1
 ASSI { 5008}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.800     0.800 peak  5008 spectrum    1 weight  0.10000E+01 volume  0.28512E-02 ppm1      7.649 ppm2      8.241 CV     1
 ASSI { 5011}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     2.800     3.200 peak  5011 spectrum    1 weight  0.10000E+01 volume  0.19255E-02 ppm1      7.415 ppm2      8.235 CV     1
 OR { 5011}
   (  segid "    " and resid 12   and name HE% )
   (( segid "    " and resid 12   and name HN  ))
 OR { 5011}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 5016}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HE  ))
      3.400     3.400     2.600 peak  5016 spectrum    1 weight  0.10000E+01 volume  0.59307E-03 ppm1      7.532 ppm2      8.094 CV     1
 ASSI { 5017}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HE  ))
      3.100     1.200     1.200 peak  5017 spectrum    1 weight  0.10000E+01 volume  0.10627E-02 ppm1      7.415 ppm2      8.094 CV     1
 ASSI { 5018}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 23   and name HE  ))
      2.600     0.800     0.800 peak  5018 spectrum    1 weight  0.10000E+01 volume  0.27631E-02 ppm1      7.041 ppm2      8.094 CV     1
 ASSI { 5028}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak  5028 spectrum    1 weight  0.10000E+01 volume  0.37365E-02 ppm1      7.485 ppm2      7.995 CV     1
 ASSI { 5029}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 28   and name HN  ))
      3.000     3.000     3.000 peak  5029 spectrum    1 weight  0.10000E+01 volume  0.11213E-02 ppm1      7.415 ppm2      7.995 CV     1
 ASSI { 5030}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak  5030 spectrum    1 weight  0.10000E+01 volume  0.24875E-02 ppm1      7.204 ppm2      7.995 CV     1
 ASSI { 5056}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak  5056 spectrum    1 weight  0.10000E+01 volume  0.24901E-03 ppm1      6.760 ppm2      7.755 CV     1
 ASSI { 5057}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak  5057 spectrum    1 weight  0.10000E+01 volume  0.41535E-02 ppm1      7.391 ppm2      7.750 CV     1
 ASSI { 5058}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak  5058 spectrum    1 weight  0.10000E+01 volume  0.34320E-02 ppm1      7.298 ppm2      7.750 CV     1
 ASSI { 5061}
   (( segid "    " and resid 19   and name HE  ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.500     1.500 peak  5061 spectrum    1 weight  0.10000E+01 volume  0.50934E-03 ppm1      7.204 ppm2      7.720 CV     1
 ASSI { 5062}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.600     1.600 peak  5062 spectrum    1 weight  0.10000E+01 volume  0.41204E-03 ppm1      6.900 ppm2      7.720 CV     1
 ASSI { 5068}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.300     0.700     0.700 peak  5068 spectrum    1 weight  0.10000E+01 volume  0.55137E-02 ppm1      7.391 ppm2      7.650 CV     1
 ASSI { 5078}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.000     1.100     1.100 peak  5078 spectrum    1 weight  0.10000E+01 volume  0.11696E-02 ppm1      7.204 ppm2      7.504 CV     1
 ASSI { 5080}
   (( segid "    " and resid 21   and name HZ  ))
   (( segid "    " and resid 30   and name HN  ))
      4.100     2.100     2.100 peak  5080 spectrum    1 weight  0.10000E+01 volume  0.17640E-03 ppm1      6.316 ppm2      7.504 CV     1
 ASSI { 5089}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak  5089 spectrum    1 weight  0.10000E+01 volume  0.31845E-02 ppm1      7.041 ppm2      7.428 CV     1
 ASSI { 5102}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     2.700     3.300 peak  5102 spectrum    1 weight  0.10000E+01 volume  0.24176E-02 ppm1      6.760 ppm2      7.393 CV     1
 ASSI { 5130}
   (( segid "    " and resid 21   and name HZ  ))
   (( segid "    " and resid 19   and name HE  ))
      3.000     1.100     1.100 peak  5130 spectrum    1 weight  0.10000E+01 volume  0.12116E-02 ppm1      6.316 ppm2      7.206 CV     1
 ASSI { 5131}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 19   and name HE  ))
      2.500     2.500     3.500 peak  5131 spectrum    1 weight  0.10000E+01 volume  0.35445E-02 ppm1      6.900 ppm2      7.200 CV     1
 ASSI { 5132}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 19   and name HE  ))
      2.600     2.600     3.400 peak  5132 spectrum    1 weight  0.10000E+01 volume  0.25070E-02 ppm1      6.760 ppm2      7.200 CV     1
 ASSI { 5142}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.500     1.500 peak  5142 spectrum    1 weight  0.10000E+01 volume  0.47393E-03 ppm1      8.747 ppm2      9.830 CV     1
 ASSI { 5148}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak  5148 spectrum    1 weight  0.10000E+01 volume  0.13083E-02 ppm1      8.724 ppm2      8.995 CV     1
 ASSI { 5149}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak  5149 spectrum    1 weight  0.10000E+01 volume  0.74035E-03 ppm1      8.654 ppm2      8.995 CV     1
 ASSI { 5151}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     0.700     0.700 peak  5151 spectrum    1 weight  0.10000E+01 volume  0.49710E-02 ppm1      8.677 ppm2      8.895 CV     1
 ASSI { 5170}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      2.900     1.100     1.100 peak  5170 spectrum    1 weight  0.10000E+01 volume  0.13563E-02 ppm1      4.399 ppm2      4.261 CV     1
 ASSI { 5171}
   (  segid "    " and resid 27   and name HD2%)
   (  segid "    " and resid 21   and name HE% )
      3.000     1.100     1.100 peak  5171 spectrum    1 weight  0.10000E+01 volume  0.11312E-02 ppm1      1.084 ppm2      6.894 CV     1
 ASSI { 5172}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 19   and name HE  ))
      3.600     1.600     1.600 peak  5172 spectrum    1 weight  0.10000E+01 volume  0.41436E-03 ppm1      4.198 ppm2      7.198 CV     1
 ASSI { 5174}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
      3.200     1.300     1.300 peak  5174 spectrum    1 weight  0.10000E+01 volume  0.74928E-03 ppm1      3.882 ppm2      8.376 CV     1
 ASSI { 5175}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     2.800     3.200 peak  5175 spectrum    1 weight  0.10000E+01 volume  0.18431E-02 ppm1      4.082 ppm2      7.535 CV     1
 ASSI { 5176}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     2.700     3.300 peak  5176 spectrum    1 weight  0.10000E+01 volume  0.23071E-02 ppm1      2.041 ppm2      9.294 CV     1
 ASSI { 5177}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.900     1.000     1.000 peak  5177 spectrum    1 weight  0.10000E+01 volume  0.15121E-02 ppm1      1.509 ppm2      7.294 CV     1
 OR { 5177}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 5179}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB3 ))
      2.000     2.000     4.000 peak  5179 spectrum    1 weight  0.10000E+01 volume  0.11709E-01 ppm1      2.065 ppm2      1.163 CV     1
 ASSI { 5180}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.700     1.700 peak  5180 spectrum    1 weight  0.10000E+01 volume  0.37133E-03 ppm1      1.738 ppm2      7.719 CV     1
 ASSI { 5181}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 21   and name HD% )
      2.500     2.500     3.500 peak  5181 spectrum    1 weight  0.10000E+01 volume  0.33824E-02 ppm1      3.133 ppm2      7.413 CV     1
 OR { 5181}
   (( segid "    " and resid 19   and name HD2 ))
   (  segid "    " and resid 21   and name HD% )
 ASSI { 5182}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 12   and name HD% )
      3.200     1.300     1.300 peak  5182 spectrum    1 weight  0.10000E+01 volume  0.77874E-03 ppm1      3.025 ppm2      7.182 CV     1
 OR { 5182}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 12   and name HD% )
 ASSI { 5183}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     1.000 peak  5183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.443 ppm2      7.183 CV     1
 ASSI { 5186}
   (  segid "    " and resid 12   and name HD% )
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.900     0.900 peak  5186 spectrum    1 weight  0.10000E+01 volume  0.27350E-02 ppm1      7.180 ppm2      8.232 CV     1
 ASSI { 5187}
   (  segid "    " and resid 12   and name HD% )
   (  segid "    " and resid 12   and name HE% )
      2.000     0.500     0.500 peak  5187 spectrum    1 weight  0.10000E+01 volume  0.12940E-01 ppm1      7.181 ppm2      7.414 CV     1
 ASSI { 5189}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HE22))
      3.400     1.500     1.500 peak  5189 spectrum    1 weight  0.10000E+01 volume  0.51298E-03 ppm1      2.055 ppm2      6.238 CV     1
 OR { 5189}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HE22))
 ASSI { 5190}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HE22))
      2.700     0.900     0.900 peak  5190 spectrum    1 weight  0.10000E+01 volume  0.20761E-02 ppm1      2.176 ppm2      6.237 CV     1
 ASSI { 5191}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HE22))
      3.100     1.200     1.200 peak  5191 spectrum    1 weight  0.10000E+01 volume  0.93660E-03 ppm1      2.300 ppm2      6.238 CV     1
 ASSI { 5192}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 13   and name HE22))
      3.800     1.800     1.800 peak  5192 spectrum    1 weight  0.10000E+01 volume  0.30719E-03 ppm1      3.580 ppm2      6.237 CV     1
 ASSI { 5193}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 13   and name HE22))
      6.000     4.500     1.000 peak  5193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.598 ppm2      6.237 CV     1
 ASSI { 5195}
   (( segid "    " and resid 13   and name HE22))
   (( segid "    " and resid 14   and name HN  ))
      3.000     3.000     3.000 peak  5195 spectrum    1 weight  0.10000E+01 volume  0.12103E-02 ppm1      6.235 ppm2      9.000 CV     1
 ASSI { 5196}
   (( segid "    " and resid 13   and name HE22))
   (( segid "    " and resid 9    and name HN  ))
      2.900     2.900     3.100 peak  5196 spectrum    1 weight  0.10000E+01 volume  0.13238E-02 ppm1      6.235 ppm2      8.058 CV     1
 ASSI { 5197}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.500     2.500     3.500 peak  5197 spectrum    1 weight  0.10000E+01 volume  0.31805E-02 ppm1      4.332 ppm2      3.576 CV     1
 OR { 5197}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1   7.748   3.460   2.430
    2   2H    GLY   1          2H        GLY   1   7.430   4.724   3.510
    3   3H    GLY   1          3H        GLY   1   7.698   3.159   4.098
    4   1HA   GLY   1          1HA       GLY   1   9.563   5.157   3.787
    5   2HA   GLY   1          2HA       GLY   1   9.875   3.470   4.181
    6    H    SER   2           H        SER   2  11.612   2.953   2.987
    7    HA   SER   2           HA       SER   2  11.305   2.844   0.123
    8   1HB   SER   2          1HB       SER   2  13.430   4.573   1.402
    9   2HB   SER   2          2HB       SER   2  13.525   4.005  -0.265
   10    HG   SER   2           HG       SER   2  11.129   5.198   0.449
   11    H    THR   3           H        THR   3  11.699   0.753  -0.111
   12    HA   THR   3           HA       THR   3  14.041  -0.394   1.227
   13    HB   THR   3           HB       THR   3  12.024  -2.218   0.094
   14    HG1  THR   3           HG1      THR   3  10.469  -1.088   1.046
   15   1HG2  THR   3          1HG2      THR   3  13.605  -2.096   2.656
   16   2HG2  THR   3          2HG2      THR   3  13.850  -3.181   1.287
   17   3HG2  THR   3          3HG2      THR   3  12.418  -3.350   2.304
   18    H    ARG   4           H        ARG   4  12.223  -0.254  -1.656
   19    HA   ARG   4           HA       ARG   4  14.586  -0.554  -3.293
   20   1HB   ARG   4          1HB       ARG   4  12.395  -2.598  -3.240
   21   2HB   ARG   4          2HB       ARG   4  13.154  -2.211  -4.778
   22   1HG   ARG   4          1HG       ARG   4  15.365  -2.711  -3.645
   23   2HG   ARG   4          2HG       ARG   4  14.411  -3.393  -2.325
   24   1HD   ARG   4          1HD       ARG   4  14.056  -4.251  -5.186
   25   2HD   ARG   4          2HD       ARG   4  15.231  -5.011  -4.115
   26    HE   ARG   4           HE       ARG   4  12.335  -4.945  -3.522
   27   1HH1  ARG   4          1HH1      ARG   4  15.372  -6.679  -3.810
   28   2HH1  ARG   4          2HH1      ARG   4  14.754  -8.140  -3.088
   29   1HH2  ARG   4          1HH2      ARG   4  11.522  -6.874  -2.582
   30   2HH2  ARG   4          2HH2      ARG   4  12.562  -8.259  -2.414
   31    H    GLY   5           H        GLY   5  13.330   1.705  -2.939
   32   1HA   GLY   5          1HA       GLY   5  12.427   3.429  -4.240
   33   2HA   GLY   5          2HA       GLY   5  11.966   2.242  -5.456
   34    H    SER   6           H        SER   6  10.184   0.780  -4.877
   35    HA   SER   6           HA       SER   6   8.405   1.685  -2.778
   36   1HB   SER   6          1HB       SER   6   6.659   1.370  -4.907
   37   2HB   SER   6          2HB       SER   6   7.151   2.897  -4.183
   38    HG   SER   6           HG       SER   6   8.422   3.307  -5.840
   39    H    THR   7           H        THR   7   9.991  -0.715  -4.023
   40    HA   THR   7           HA       THR   7   7.862  -2.698  -3.585
   41    HB   THR   7           HB       THR   7   9.172  -3.990  -5.490
   42    HG1  THR   7           HG1      THR   7  10.710  -2.665  -6.197
   43   1HG2  THR   7          1HG2      THR   7   7.482  -3.431  -6.978
   44   2HG2  THR   7          2HG2      THR   7   7.440  -1.749  -6.452
   45   3HG2  THR   7          3HG2      THR   7   6.762  -3.011  -5.424
   46    H    GLY   8           H        GLY   8   8.972  -2.706  -1.467
   47   1HA   GLY   8          1HA       GLY   8  11.535  -4.103  -1.506
   48   2HA   GLY   8          2HA       GLY   8  10.776  -3.361  -0.106
   49    H    ILE   9           H        ILE   9   9.343  -4.500   1.108
   50    HA   ILE   9           HA       ILE   9   9.777  -7.350   1.074
   51    HB   ILE   9           HB       ILE   9   7.901  -5.985   2.968
   52   1HG1  ILE   9          1HG1      ILE   9  10.887  -5.985   3.376
   53   2HG1  ILE   9          2HG1      ILE   9  10.044  -4.621   2.646
   54   1HG2  ILE   9          1HG2      ILE   9   9.090  -8.539   2.781
   55   2HG2  ILE   9          2HG2      ILE   9   9.795  -7.737   4.186
   56   3HG2  ILE   9          3HG2      ILE   9   8.045  -7.915   4.057
   57   1HD1  ILE   9          1HD1      ILE   9   9.945  -3.891   4.761
   58   2HD1  ILE   9          2HD1      ILE   9   8.565  -4.984   4.871
   59   3HD1  ILE   9          3HD1      ILE   9  10.151  -5.506   5.439
   60    H    LYS  10           H        LYS  10   8.040  -8.914   1.365
   61    HA   LYS  10           HA       LYS  10   6.182 -10.025   0.738
   62   1HB   LYS  10          1HB       LYS  10   5.320  -7.474   1.807
   63   2HB   LYS  10          2HB       LYS  10   4.145  -8.148   0.679
   64   1HG   LYS  10          1HG       LYS  10   3.460  -9.606   2.189
   65   2HG   LYS  10          2HG       LYS  10   5.100 -10.216   2.405
   66   1HD   LYS  10          1HD       LYS  10   5.529  -8.325   3.967
   67   2HD   LYS  10          2HD       LYS  10   3.823  -7.885   3.831
   68   1HE   LYS  10          1HE       LYS  10   3.252 -10.186   4.619
   69   2HE   LYS  10          2HE       LYS  10   4.971 -10.454   4.910
   70   1HZ   LYS  10          1HZ       LYS  10   4.223  -8.044   6.140
   71   2HZ   LYS  10          2HZ       LYS  10   4.762  -9.479   6.868
   72   3HZ   LYS  10          3HZ       LYS  10   3.107  -9.240   6.599
   73    HA   PRO  11           HA       PRO  11   5.689  -9.792  -3.609
   74   1HB   PRO  11          1HB       PRO  11   3.338 -11.156  -3.912
   75   2HB   PRO  11          2HB       PRO  11   4.893 -11.938  -3.602
   76   1HG   PRO  11          1HG       PRO  11   2.697 -11.257  -1.687
   77   2HG   PRO  11          2HG       PRO  11   3.667 -12.739  -1.794
   78   1HD   PRO  11          1HD       PRO  11   4.182 -10.848   0.044
   79   2HD   PRO  11          2HD       PRO  11   5.486 -11.773  -0.730
   80    H    PHE  12           H        PHE  12   3.246  -8.620  -1.458
   81    HA   PHE  12           HA       PHE  12   2.170  -6.913  -3.598
   82   1HB   PHE  12          1HB       PHE  12   0.686  -8.016  -1.205
   83   2HB   PHE  12          2HB       PHE  12   0.010  -6.945  -2.431
   84    HD1  PHE  12           HD1      PHE  12   0.052 -10.205  -1.396
   85    HD2  PHE  12           HD2      PHE  12   0.531  -7.899  -4.938
   86    HE1  PHE  12           HE1      PHE  12  -0.582 -12.156  -2.748
   87    HE2  PHE  12           HE2      PHE  12  -0.100  -9.849  -6.298
   88    HZ   PHE  12           HZ       PHE  12  -0.657 -11.983  -5.203
   89    H    GLN  13           H        GLN  13   3.815  -5.390  -2.986
   90    HA   GLN  13           HA       GLN  13   3.413  -4.073  -0.411
   91   1HB   GLN  13          1HB       GLN  13   5.589  -3.184  -0.703
   92   2HB   GLN  13          2HB       GLN  13   5.669  -4.868  -1.209
   93   1HG   GLN  13          1HG       GLN  13   5.085  -2.851  -3.278
   94   2HG   GLN  13          2HG       GLN  13   6.719  -2.923  -2.630
   95   1HE2  GLN  13          1HE2      GLN  13   7.489  -5.321  -2.422
   96   2HE2  GLN  13          2HE2      GLN  13   7.262  -6.280  -3.846
   97    H    CYS  14           H        CYS  14   3.384  -1.681  -0.422
   98    HA   CYS  14           HA       CYS  14   1.614  -0.687  -2.452
   99   1HB   CYS  14          1HB       CYS  14   1.303   0.119  -0.177
  100   2HB   CYS  14          2HB       CYS  14   2.948   0.751  -0.144
  101    HA   PRO  15           HA       PRO  15   5.015   0.719  -5.011
  102   1HB   PRO  15          1HB       PRO  15   3.516   1.603  -7.063
  103   2HB   PRO  15          2HB       PRO  15   3.786  -0.120  -6.776
  104   1HG   PRO  15          1HG       PRO  15   1.409   1.565  -6.110
  105   2HG   PRO  15          2HG       PRO  15   1.466  -0.084  -6.755
  106   1HD   PRO  15          1HD       PRO  15   1.034   0.519  -4.112
  107   2HD   PRO  15          2HD       PRO  15   1.726  -1.012  -4.679
  108    H    ASP  16           H        ASP  16   2.892   2.438  -3.180
  109    HA   ASP  16           HA       ASP  16   3.732   5.039  -4.262
  110   1HB   ASP  16          1HB       ASP  16   1.266   4.035  -3.078
  111   2HB   ASP  16          2HB       ASP  16   1.822   5.514  -2.309
  112    H    CYS  17           H        CYS  17   3.779   2.954  -1.472
  113    HA   CYS  17           HA       CYS  17   5.251   5.004   0.044
  114   1HB   CYS  17          1HB       CYS  17   3.656   2.661   1.080
  115   2HB   CYS  17          2HB       CYS  17   4.520   3.825   2.075
  116    H    ASP  18           H        ASP  18   5.226   1.698  -1.000
  117    HA   ASP  18           HA       ASP  18   6.857   0.080  -1.055
  118   1HB   ASP  18          1HB       ASP  18   8.574   2.058  -0.911
  119   2HB   ASP  18          2HB       ASP  18   8.665   1.615   0.790
  120    H    ARG  19           H        ARG  19   4.704  -0.031   0.418
  121    HA   ARG  19           HA       ARG  19   5.310  -0.640   3.193
  122   1HB   ARG  19          1HB       ARG  19   2.751  -1.060   1.632
  123   2HB   ARG  19          2HB       ARG  19   2.933  -1.216   3.373
  124   1HG   ARG  19          1HG       ARG  19   3.832   1.367   2.535
  125   2HG   ARG  19          2HG       ARG  19   2.214   1.057   1.903
  126   1HD   ARG  19          1HD       ARG  19   2.883   0.501   4.770
  127   2HD   ARG  19          2HD       ARG  19   2.459   2.128   4.241
  128    HE   ARG  19           HE       ARG  19   0.381   0.762   3.282
  129   1HH1  ARG  19          1HH1      ARG  19   1.981   0.576   6.403
  130   2HH1  ARG  19          2HH1      ARG  19   0.540   0.095   7.257
  131   1HH2  ARG  19          1HH2      ARG  19  -1.510   0.119   4.425
  132   2HH2  ARG  19          2HH2      ARG  19  -1.442  -0.158   6.132
  133    H    SER  20           H        SER  20   3.481  -2.928   3.342
  134    HA   SER  20           HA       SER  20   4.344  -4.887   1.469
  135   1HB   SER  20          1HB       SER  20   5.267  -6.334   3.513
  136   2HB   SER  20          2HB       SER  20   6.316  -5.314   2.530
  137    HG   SER  20           HG       SER  20   6.212  -3.729   4.108
  138    H    PHE  21           H        PHE  21   2.698  -6.175   1.186
  139    HA   PHE  21           HA       PHE  21   1.064  -6.967   3.495
  140   1HB   PHE  21          1HB       PHE  21  -0.101  -6.309   0.783
  141   2HB   PHE  21          2HB       PHE  21  -0.977  -6.661   2.268
  142    HD1  PHE  21           HD1      PHE  21  -1.497  -4.955   3.810
  143    HD2  PHE  21           HD2      PHE  21   1.169  -4.171   0.582
  144    HE1  PHE  21           HE1      PHE  21  -1.598  -2.550   4.312
  145    HE2  PHE  21           HE2      PHE  21   1.063  -1.765   1.079
  146    HZ   PHE  21           HZ       PHE  21  -0.315  -0.956   2.946
  147    H    SER  22           H        SER  22   0.539  -9.102   3.508
  148    HA   SER  22           HA       SER  22   1.822 -10.789   1.556
  149   1HB   SER  22          1HB       SER  22   0.086 -12.280   3.264
  150   2HB   SER  22          2HB       SER  22   1.845 -12.171   3.328
  151    HG   SER  22           HG       SER  22   0.355 -11.401   5.200
  152    H    ARG  23           H        ARG  23  -1.215  -9.333   2.003
  153    HA   ARG  23           HA       ARG  23  -2.453 -11.049  -0.061
  154   1HB   ARG  23          1HB       ARG  23  -3.988  -9.415   1.953
  155   2HB   ARG  23          2HB       ARG  23  -4.578 -10.712   0.925
  156   1HG   ARG  23          1HG       ARG  23  -3.523 -12.364   2.237
  157   2HG   ARG  23          2HG       ARG  23  -2.552 -11.165   3.097
  158   1HD   ARG  23          1HD       ARG  23  -4.843 -12.254   4.048
  159   2HD   ARG  23          2HD       ARG  23  -4.207 -10.685   4.538
  160    HE   ARG  23           HE       ARG  23  -5.765  -9.650   3.036
  161   1HH1  ARG  23          1HH1      ARG  23  -6.262 -13.070   3.555
  162   2HH1  ARG  23          2HH1      ARG  23  -7.930 -13.029   3.052
  163   1HH2  ARG  23          1HH2      ARG  23  -7.947  -9.582   2.371
  164   2HH2  ARG  23          2HH2      ARG  23  -8.874 -11.058   2.352
  165    H    SER  24           H        SER  24  -2.992 -10.183  -1.831
  166    HA   SER  24           HA       SER  24  -2.380  -7.569  -2.587
  167   1HB   SER  24          1HB       SER  24  -4.289  -8.420  -4.367
  168   2HB   SER  24          2HB       SER  24  -2.574  -8.813  -4.455
  169    HG   SER  24           HG       SER  24  -4.061 -10.643  -4.531
  170    H    ASP  25           H        ASP  25  -5.239  -8.968  -1.200
  171    HA   ASP  25           HA       ASP  25  -7.102  -6.931  -1.778
  172   1HB   ASP  25          1HB       ASP  25  -8.129  -8.837  -1.012
  173   2HB   ASP  25          2HB       ASP  25  -6.880  -9.170   0.174
  174    H    HIS  26           H        HIS  26  -5.016  -7.506   1.003
  175    HA   HIS  26           HA       HIS  26  -5.839  -5.253   2.499
  176   1HB   HIS  26          1HB       HIS  26  -3.662  -7.233   2.663
  177   2HB   HIS  26          2HB       HIS  26  -3.312  -5.677   3.408
  178    HD1  HIS  26           HD1      HIS  26  -3.422  -6.493   5.815
  179    HD2  HIS  26           HD2      HIS  26  -6.868  -7.314   3.637
  180    HE1  HIS  26           HE1      HIS  26  -5.127  -7.255   7.503
  181    HE2  HIS  26           HE2      HIS  26  -7.250  -7.594   6.182
  182    H    LEU  27           H        LEU  27  -3.470  -5.702  -0.021
  183    HA   LEU  27           HA       LEU  27  -2.028  -3.298   0.150
  184   1HB   LEU  27          1HB       LEU  27  -1.624  -5.240  -1.436
  185   2HB   LEU  27          2HB       LEU  27  -2.959  -4.636  -2.396
  186    HG   LEU  27           HG       LEU  27  -1.725  -3.005  -3.335
  187   1HD1  LEU  27          1HD1      LEU  27  -1.495  -1.878  -1.064
  188   2HD1  LEU  27          2HD1      LEU  27   0.083  -2.664  -0.964
  189   3HD1  LEU  27          3HD1      LEU  27  -0.256  -1.525  -2.269
  190   1HD2  LEU  27          1HD2      LEU  27  -0.417  -5.132  -3.546
  191   2HD2  LEU  27          2HD2      LEU  27   0.497  -3.641  -3.785
  192   3HD2  LEU  27          3HD2      LEU  27   0.630  -4.523  -2.264
  193    H    ALA  28           H        ALA  28  -4.841  -4.067  -1.879
  194    HA   ALA  28           HA       ALA  28  -5.376  -1.504  -2.799
  195   1HB   ALA  28          1HB       ALA  28  -6.532  -3.052  -3.995
  196   2HB   ALA  28          2HB       ALA  28  -6.926  -4.020  -2.573
  197   3HB   ALA  28          3HB       ALA  28  -7.817  -2.534  -2.904
  198    H    LEU  29           H        LEU  29  -6.402  -3.086   0.181
  199    HA   LEU  29           HA       LEU  29  -8.342  -1.226   0.985
  200   1HB   LEU  29          1HB       LEU  29  -6.559  -3.048   2.571
  201   2HB   LEU  29          2HB       LEU  29  -7.807  -2.056   3.301
  202    HG   LEU  29           HG       LEU  29  -8.266  -4.219   1.247
  203   1HD1  LEU  29          1HD1      LEU  29  -7.742  -5.305   3.251
  204   2HD1  LEU  29          2HD1      LEU  29  -8.595  -4.108   4.227
  205   3HD1  LEU  29          3HD1      LEU  29  -9.506  -5.241   3.228
  206   1HD2  LEU  29          1HD2      LEU  29 -10.618  -3.825   1.598
  207   2HD2  LEU  29          2HD2      LEU  29 -10.268  -2.575   2.792
  208   3HD2  LEU  29          3HD2      LEU  29  -9.845  -2.320   1.100
  209    H    HIS  30           H        HIS  30  -4.848  -1.325   1.572
  210    HA   HIS  30           HA       HIS  30  -4.848   1.087   3.126
  211   1HB   HIS  30          1HB       HIS  30  -2.957  -0.162   3.602
  212   2HB   HIS  30          2HB       HIS  30  -2.741  -0.676   1.935
  213    HD1  HIS  30           HD1      HIS  30  -2.337   2.517   3.997
  214    HD2  HIS  30           HD2      HIS  30  -0.819   0.649   0.603
  215    HE1  HIS  30           HE1      HIS  30  -0.452   3.982   3.151
  216    H    ARG  31           H        ARG  31  -4.445   0.245  -0.249
  217    HA   ARG  31           HA       ARG  31  -3.466   2.805  -1.022
  218   1HB   ARG  31          1HB       ARG  31  -4.563   0.504  -2.635
  219   2HB   ARG  31          2HB       ARG  31  -3.896   1.972  -3.345
  220   1HG   ARG  31          1HG       ARG  31  -1.838   1.398  -1.830
  221   2HG   ARG  31          2HG       ARG  31  -2.523  -0.227  -1.884
  222   1HD   ARG  31          1HD       ARG  31  -1.010  -0.170  -3.666
  223   2HD   ARG  31          2HD       ARG  31  -2.585   0.076  -4.420
  224    HE   ARG  31           HE       ARG  31  -0.593   2.188  -3.919
  225   1HH1  ARG  31          1HH1      ARG  31  -3.367   0.929  -5.639
  226   2HH1  ARG  31          2HH1      ARG  31  -3.384   2.206  -6.820
  227   1HH2  ARG  31          1HH2      ARG  31  -0.620   3.901  -5.453
  228   2HH2  ARG  31          2HH2      ARG  31  -1.819   3.889  -6.720
  229    H    LYS  32           H        LYS  32  -6.441   1.899  -0.002
  230    HA   LYS  32           HA       LYS  32  -8.201   3.285  -1.731
  231   1HB   LYS  32          1HB       LYS  32  -8.338   1.928   0.796
  232   2HB   LYS  32          2HB       LYS  32  -9.160   3.477   0.922
  233   1HG   LYS  32          1HG       LYS  32 -10.819   1.971   0.278
  234   2HG   LYS  32          2HG       LYS  32 -10.383   2.815  -1.210
  235   1HD   LYS  32          1HD       LYS  32  -8.647   0.630  -1.057
  236   2HD   LYS  32          2HD       LYS  32 -10.231   0.008  -0.582
  237   1HE   LYS  32          1HE       LYS  32 -11.190   0.519  -2.619
  238   2HE   LYS  32          2HE       LYS  32  -9.993   1.760  -2.989
  239   1HZ   LYS  32          1HZ       LYS  32  -9.241  -1.088  -2.809
  240   2HZ   LYS  32          2HZ       LYS  32  -8.425   0.175  -3.597
  241   3HZ   LYS  32          3HZ       LYS  32  -9.870  -0.438  -4.246
  242    H    ARG  33           H        ARG  33  -5.971   4.241   0.715
  243    HA   ARG  33           HA       ARG  33  -7.035   6.897   1.052
  244   1HB   ARG  33          1HB       ARG  33  -4.419   5.660   1.924
  245   2HB   ARG  33          2HB       ARG  33  -4.957   7.272   2.371
  246   1HG   ARG  33          1HG       ARG  33  -7.075   5.878   3.198
  247   2HG   ARG  33          2HG       ARG  33  -5.832   4.635   3.359
  248   1HD   ARG  33          1HD       ARG  33  -5.857   5.713   5.435
  249   2HD   ARG  33          2HD       ARG  33  -4.468   6.398   4.594
  250    HE   ARG  33           HE       ARG  33  -5.923   8.338   4.083
  251   1HH1  ARG  33          1HH1      ARG  33  -6.670   6.250   6.804
  252   2HH1  ARG  33          2HH1      ARG  33  -7.595   7.467   7.647
  253   1HH2  ARG  33          1HH2      ARG  33  -7.126   9.943   5.194
  254   2HH2  ARG  33          2HH2      ARG  33  -7.841   9.566   6.736
  255    H    HIS  34           H        HIS  34  -5.281   5.374  -1.329
  256    HA   HIS  34           HA       HIS  34  -3.743   7.761  -2.057
  257   1HB   HIS  34          1HB       HIS  34  -3.685   4.912  -3.063
  258   2HB   HIS  34          2HB       HIS  34  -2.756   6.215  -3.798
  259    HD1  HIS  34           HD1      HIS  34  -1.452   7.614  -1.532
  260    HD2  HIS  34           HD2      HIS  34  -2.007   3.490  -1.540
  261    HE1  HIS  34           HE1      HIS  34   0.249   6.653   0.082
  262    H    MET  35           H        MET  35  -6.769   6.850  -2.460
  263    HA   MET  35           HA       MET  35  -7.038   7.151  -5.316
  264   1HB   MET  35          1HB       MET  35  -9.083   6.988  -3.100
  265   2HB   MET  35          2HB       MET  35  -9.495   7.099  -4.806
  266   1HG   MET  35          1HG       MET  35  -8.216   5.001  -5.183
  267   2HG   MET  35          2HG       MET  35  -8.008   4.873  -3.438
  268   1HE   MET  35          1HE       MET  35 -10.134   3.971  -6.432
  269   2HE   MET  35          2HE       MET  35  -9.312   2.730  -5.486
  270   3HE   MET  35          3HE       MET  35 -11.073   2.746  -5.576
  271    H    LEU  36           H        LEU  36  -8.596   8.927  -2.654
  272    HA   LEU  36           HA       LEU  36  -7.790  11.452  -3.878
  273   1HB   LEU  36          1HB       LEU  36 -10.532  11.593  -2.916
  274   2HB   LEU  36          2HB       LEU  36  -9.841  12.193  -4.410
  275    HG   LEU  36           HG       LEU  36 -10.020   9.383  -4.661
  276   1HD1  LEU  36          1HD1      LEU  36 -11.621   9.112  -3.001
  277   2HD1  LEU  36          2HD1      LEU  36 -12.398  10.653  -3.360
  278   3HD1  LEU  36          3HD1      LEU  36 -12.587   9.291  -4.466
  279   1HD2  LEU  36          1HD2      LEU  36 -10.198  10.585  -6.604
  280   2HD2  LEU  36          2HD2      LEU  36 -11.890  10.184  -6.302
  281   3HD2  LEU  36          3HD2      LEU  36 -11.278  11.786  -5.893
  282    H    VAL  37           H        VAL  37  -6.565  10.508  -1.796
  283    HA   VAL  37           HA       VAL  37  -6.012  10.725   0.382
  284    HB   VAL  37           HB       VAL  37  -7.498  13.300   0.626
  285   1HG1  VAL  37          1HG1      VAL  37  -4.686  12.449   1.312
  286   2HG1  VAL  37          2HG1      VAL  37  -5.416  14.007   1.701
  287   3HG1  VAL  37          3HG1      VAL  37  -6.047  12.529   2.432
  288   1HG2  VAL  37          1HG2      VAL  37  -5.018  13.040  -1.069
  289   2HG2  VAL  37          2HG2      VAL  37  -6.647  13.232  -1.718
  290   3HG2  VAL  37          3HG2      VAL  37  -5.934  14.508  -0.733
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1   7.958   5.759  -1.660
    2   2H    GLY   1          2H        GLY   1   7.630   5.555  -3.313
    3   3H    GLY   1          3H        GLY   1   9.022   6.390  -2.820
    4   1HA   GLY   1          1HA       GLY   1   8.822   3.725  -1.753
    5   2HA   GLY   1          2HA       GLY   1   8.953   3.791  -3.506
    6    H    SER   2           H        SER   2  10.927   2.698  -1.836
    7    HA   SER   2           HA       SER   2  13.147   4.509  -2.453
    8   1HB   SER   2          1HB       SER   2  13.776   3.315   0.037
    9   2HB   SER   2          2HB       SER   2  13.496   5.023  -0.302
   10    HG   SER   2           HG       SER   2  11.762   3.089   0.749
   11    H    THR   3           H        THR   3  12.008   1.269  -1.648
   12    HA   THR   3           HA       THR   3  14.552   0.012  -1.957
   13    HB   THR   3           HB       THR   3  12.062  -1.562  -2.391
   14    HG1  THR   3           HG1      THR   3  11.190  -0.602  -0.695
   15   1HG2  THR   3          1HG2      THR   3  14.504  -2.408  -2.131
   16   2HG2  THR   3          2HG2      THR   3  13.214  -3.244  -1.269
   17   3HG2  THR   3          3HG2      THR   3  14.251  -2.104  -0.411
   18    H    ARG   4           H        ARG   4  15.397   0.662  -3.916
   19    HA   ARG   4           HA       ARG   4  15.848   0.640  -6.129
   20   1HB   ARG   4          1HB       ARG   4  14.481  -1.956  -5.674
   21   2HB   ARG   4          2HB       ARG   4  14.694  -1.444  -7.344
   22   1HG   ARG   4          1HG       ARG   4  17.160  -1.006  -6.112
   23   2HG   ARG   4          2HG       ARG   4  16.601  -2.572  -5.518
   24   1HD   ARG   4          1HD       ARG   4  16.513  -1.869  -8.431
   25   2HD   ARG   4          2HD       ARG   4  17.972  -2.516  -7.683
   26    HE   ARG   4           HE       ARG   4  16.577  -4.473  -7.038
   27   1HH1  ARG   4          1HH1      ARG   4  15.663  -2.461  -9.762
   28   2HH1  ARG   4          2HH1      ARG   4  14.793  -3.734 -10.571
   29   1HH2  ARG   4          1HH2      ARG   4  15.403  -6.135  -8.083
   30   2HH2  ARG   4          2HH2      ARG   4  14.618  -5.813  -9.604
   31    H    GLY   5           H        GLY   5  13.000  -0.955  -7.175
   32   1HA   GLY   5          1HA       GLY   5  11.939   1.616  -8.149
   33   2HA   GLY   5          2HA       GLY   5  11.580   0.041  -8.843
   34    H    SER   6           H        SER   6  11.542   1.005  -5.456
   35    HA   SER   6           HA       SER   6   9.996   0.961  -3.841
   36   1HB   SER   6          1HB       SER   6   8.047   1.428  -6.093
   37   2HB   SER   6          2HB       SER   6   7.772   1.733  -4.383
   38    HG   SER   6           HG       SER   6   9.655   3.025  -6.069
   39    H    THR   7           H        THR   7  10.794  -1.500  -5.022
   40    HA   THR   7           HA       THR   7   8.502  -3.140  -4.241
   41    HB   THR   7           HB       THR   7   9.692  -4.727  -6.124
   42    HG1  THR   7           HG1      THR   7   9.655  -3.059  -7.981
   43   1HG2  THR   7          1HG2      THR   7   7.550  -2.765  -6.864
   44   2HG2  THR   7          2HG2      THR   7   7.251  -4.055  -5.700
   45   3HG2  THR   7          3HG2      THR   7   7.717  -4.450  -7.355
   46    H    GLY   8           H        GLY   8   9.343  -3.678  -2.286
   47   1HA   GLY   8          1HA       GLY   8  11.947  -5.062  -2.335
   48   2HA   GLY   8          2HA       GLY   8  11.407  -4.071  -0.990
   49    H    ILE   9           H        ILE   9   9.834  -4.863   0.425
   50    HA   ILE   9           HA       ILE   9   9.983  -7.741   0.714
   51    HB   ILE   9           HB       ILE   9   8.335  -5.951   2.471
   52   1HG1  ILE   9          1HG1      ILE   9  11.329  -6.317   2.679
   53   2HG1  ILE   9          2HG1      ILE   9  10.539  -4.858   2.092
   54   1HG2  ILE   9          1HG2      ILE   9  10.104  -8.214   3.326
   55   2HG2  ILE   9          2HG2      ILE   9   8.679  -7.550   4.125
   56   3HG2  ILE   9          3HG2      ILE   9   8.498  -8.521   2.664
   57   1HD1  ILE   9          1HD1      ILE   9   9.416  -4.661   4.298
   58   2HD1  ILE   9          2HD1      ILE   9  10.394  -6.015   4.861
   59   3HD1  ILE   9          3HD1      ILE   9  11.172  -4.514   4.360
   60    H    LYS  10           H        LYS  10   8.120  -9.091   1.136
   61    HA   LYS  10           HA       LYS  10   6.152 -10.071   0.598
   62   1HB   LYS  10          1HB       LYS  10   5.541  -7.365   1.558
   63   2HB   LYS  10          2HB       LYS  10   4.225  -8.169   0.710
   64   1HG   LYS  10          1HG       LYS  10   3.781  -9.418   2.482
   65   2HG   LYS  10          2HG       LYS  10   5.443 -10.004   2.535
   66   1HD   LYS  10          1HD       LYS  10   6.001  -7.790   3.683
   67   2HD   LYS  10          2HD       LYS  10   4.260  -7.604   3.899
   68   1HE   LYS  10          1HE       LYS  10   4.677 -10.160   4.769
   69   2HE   LYS  10          2HE       LYS  10   6.155  -9.351   5.284
   70   1HZ   LYS  10          1HZ       LYS  10   4.644  -9.116   7.047
   71   2HZ   LYS  10          2HZ       LYS  10   3.364  -8.686   6.020
   72   3HZ   LYS  10          3HZ       LYS  10   4.642  -7.606   6.275
   73    HA   PRO  11           HA       PRO  11   5.390  -9.801  -3.685
   74   1HB   PRO  11          1HB       PRO  11   3.073 -11.189  -3.904
   75   2HB   PRO  11          2HB       PRO  11   4.621 -11.959  -3.540
   76   1HG   PRO  11          1HG       PRO  11   2.419 -11.168  -1.674
   77   2HG   PRO  11          2HG       PRO  11   3.367 -12.667  -1.710
   78   1HD   PRO  11          1HD       PRO  11   3.893 -10.664   0.028
   79   2HD   PRO  11          2HD       PRO  11   5.171 -11.697  -0.643
   80    H    PHE  12           H        PHE  12   3.033  -8.562  -1.471
   81    HA   PHE  12           HA       PHE  12   1.883  -6.908  -3.620
   82   1HB   PHE  12          1HB       PHE  12   0.430  -7.951  -1.187
   83   2HB   PHE  12          2HB       PHE  12  -0.266  -6.988  -2.485
   84    HD1  PHE  12           HD1      PHE  12  -0.060 -10.174  -1.220
   85    HD2  PHE  12           HD2      PHE  12   0.201  -8.085  -4.915
   86    HE1  PHE  12           HE1      PHE  12  -0.654 -12.233  -2.420
   87    HE2  PHE  12           HE2      PHE  12  -0.391 -10.144  -6.125
   88    HZ   PHE  12           HZ       PHE  12  -0.816 -12.224  -4.876
   89    H    GLN  13           H        GLN  13   3.471  -5.309  -3.031
   90    HA   GLN  13           HA       GLN  13   2.968  -4.055  -0.422
   91   1HB   GLN  13          1HB       GLN  13   5.185  -3.613  -0.250
   92   2HB   GLN  13          2HB       GLN  13   5.296  -4.985  -1.344
   93   1HG   GLN  13          1HG       GLN  13   5.718  -3.642  -3.185
   94   2HG   GLN  13          2HG       GLN  13   5.100  -2.197  -2.394
   95   1HE2  GLN  13          1HE2      GLN  13   6.663  -0.833  -2.044
   96   2HE2  GLN  13          2HE2      GLN  13   8.251  -1.214  -1.456
   97    H    CYS  14           H        CYS  14   3.224  -1.646  -0.403
   98    HA   CYS  14           HA       CYS  14   1.717  -0.480  -2.551
   99   1HB   CYS  14          1HB       CYS  14   1.306   0.353  -0.294
  100   2HB   CYS  14          2HB       CYS  14   2.990   0.857  -0.155
  101    HA   PRO  15           HA       PRO  15   5.428   0.601  -4.782
  102   1HB   PRO  15          1HB       PRO  15   4.208   1.585  -6.969
  103   2HB   PRO  15          2HB       PRO  15   4.277  -0.149  -6.633
  104   1HG   PRO  15          1HG       PRO  15   2.029   1.776  -6.210
  105   2HG   PRO  15          2HG       PRO  15   1.980   0.109  -6.811
  106   1HD   PRO  15          1HD       PRO  15   1.388   0.842  -4.229
  107   2HD   PRO  15          2HD       PRO  15   1.946  -0.770  -4.709
  108    H    ASP  16           H        ASP  16   3.223   2.629  -3.276
  109    HA   ASP  16           HA       ASP  16   4.554   5.058  -4.290
  110   1HB   ASP  16          1HB       ASP  16   2.041   4.973  -4.328
  111   2HB   ASP  16          2HB       ASP  16   2.073   4.896  -2.569
  112    H    CYS  17           H        CYS  17   3.683   3.349  -1.342
  113    HA   CYS  17           HA       CYS  17   5.244   5.225   0.235
  114   1HB   CYS  17          1HB       CYS  17   3.538   2.911   1.135
  115   2HB   CYS  17          2HB       CYS  17   4.269   4.127   2.180
  116    H    ASP  18           H        ASP  18   5.302   1.928  -0.820
  117    HA   ASP  18           HA       ASP  18   6.971   0.354  -0.822
  118   1HB   ASP  18          1HB       ASP  18   8.513   2.564  -0.243
  119   2HB   ASP  18          2HB       ASP  18   8.770   1.539   1.166
  120    H    ARG  19           H        ARG  19   4.739   0.289   0.641
  121    HA   ARG  19           HA       ARG  19   5.342  -0.638   3.330
  122   1HB   ARG  19          1HB       ARG  19   2.747  -1.097   1.880
  123   2HB   ARG  19          2HB       ARG  19   3.027  -0.957   3.609
  124   1HG   ARG  19          1HG       ARG  19   3.828   1.475   2.406
  125   2HG   ARG  19          2HG       ARG  19   2.239   1.047   1.767
  126   1HD   ARG  19          1HD       ARG  19   2.867   0.972   4.703
  127   2HD   ARG  19          2HD       ARG  19   2.308   2.438   3.899
  128    HE   ARG  19           HE       ARG  19   0.339   0.942   3.195
  129   1HH1  ARG  19          1HH1      ARG  19   2.130   0.546   6.184
  130   2HH1  ARG  19          2HH1      ARG  19   0.742   0.041   7.107
  131   1HH2  ARG  19          1HH2      ARG  19  -1.493   0.234   4.416
  132   2HH2  ARG  19          2HH2      ARG  19  -1.303  -0.190   6.088
  133    H    SER  20           H        SER  20   3.568  -2.931   3.274
  134    HA   SER  20           HA       SER  20   4.250  -4.669   1.153
  135   1HB   SER  20          1HB       SER  20   5.521  -6.186   3.064
  136   2HB   SER  20          2HB       SER  20   6.325  -5.276   1.788
  137    HG   SER  20           HG       SER  20   6.985  -3.823   3.199
  138    H    PHE  21           H        PHE  21   2.685  -6.123   1.024
  139    HA   PHE  21           HA       PHE  21   1.424  -7.091   3.493
  140   1HB   PHE  21          1HB       PHE  21  -0.167  -6.454   1.007
  141   2HB   PHE  21          2HB       PHE  21  -0.773  -6.810   2.619
  142    HD1  PHE  21           HD1      PHE  21   0.954  -4.264   0.571
  143    HD2  PHE  21           HD2      PHE  21  -1.081  -5.108   4.211
  144    HE1  PHE  21           HE1      PHE  21   0.824  -1.859   1.049
  145    HE2  PHE  21           HE2      PHE  21  -1.205  -2.700   4.701
  146    HZ   PHE  21           HZ       PHE  21  -0.252  -1.073   3.118
  147    H    SER  22           H        SER  22   0.466  -9.182   3.294
  148    HA   SER  22           HA       SER  22   1.785 -10.799   1.252
  149   1HB   SER  22          1HB       SER  22   0.247 -12.406   3.020
  150   2HB   SER  22          2HB       SER  22   1.999 -12.220   2.970
  151    HG   SER  22           HG       SER  22   0.782 -11.664   5.003
  152    H    ARG  23           H        ARG  23  -1.238  -9.426   1.977
  153    HA   ARG  23           HA       ARG  23  -2.606 -11.132  -0.010
  154   1HB   ARG  23          1HB       ARG  23  -3.820  -9.518   2.250
  155   2HB   ARG  23          2HB       ARG  23  -4.713 -10.482   1.083
  156   1HG   ARG  23          1HG       ARG  23  -3.579 -12.498   1.924
  157   2HG   ARG  23          2HG       ARG  23  -2.771 -11.509   3.140
  158   1HD   ARG  23          1HD       ARG  23  -5.024 -12.821   3.648
  159   2HD   ARG  23          2HD       ARG  23  -4.649 -11.271   4.395
  160    HE   ARG  23           HE       ARG  23  -6.114 -10.234   2.723
  161   1HH1  ARG  23          1HH1      ARG  23  -6.408 -13.694   3.231
  162   2HH1  ARG  23          2HH1      ARG  23  -8.053 -13.758   2.657
  163   1HH2  ARG  23          1HH2      ARG  23  -8.255 -10.309   1.999
  164   2HH2  ARG  23          2HH2      ARG  23  -9.107 -11.828   1.944
  165    H    SER  24           H        SER  24  -3.253 -10.285  -1.759
  166    HA   SER  24           HA       SER  24  -2.573  -7.690  -2.543
  167   1HB   SER  24          1HB       SER  24  -4.549  -8.569  -4.286
  168   2HB   SER  24          2HB       SER  24  -2.818  -8.853  -4.437
  169    HG   SER  24           HG       SER  24  -3.615 -10.853  -4.469
  170    H    ASP  25           H        ASP  25  -5.422  -9.051  -1.117
  171    HA   ASP  25           HA       ASP  25  -7.234  -6.925  -1.570
  172   1HB   ASP  25          1HB       ASP  25  -8.524  -8.504  -0.663
  173   2HB   ASP  25          2HB       ASP  25  -7.132  -9.400  -0.108
  174    H    HIS  26           H        HIS  26  -4.966  -7.677   0.986
  175    HA   HIS  26           HA       HIS  26  -5.542  -5.523   2.692
  176   1HB   HIS  26          1HB       HIS  26  -3.436  -7.548   2.452
  177   2HB   HIS  26          2HB       HIS  26  -2.872  -6.032   3.146
  178    HD1  HIS  26           HD1      HIS  26  -2.619  -6.844   5.535
  179    HD2  HIS  26           HD2      HIS  26  -6.414  -7.510   3.969
  180    HE1  HIS  26           HE1      HIS  26  -4.038  -7.575   7.477
  181    HE2  HIS  26           HE2      HIS  26  -6.372  -7.728   6.547
  182    H    LEU  27           H        LEU  27  -3.421  -5.803  -0.098
  183    HA   LEU  27           HA       LEU  27  -2.028  -3.367   0.102
  184   1HB   LEU  27          1HB       LEU  27  -1.682  -5.219  -1.611
  185   2HB   LEU  27          2HB       LEU  27  -3.075  -4.576  -2.457
  186    HG   LEU  27           HG       LEU  27  -1.929  -2.853  -3.331
  187   1HD1  LEU  27          1HD1      LEU  27   0.047  -2.634  -1.097
  188   2HD1  LEU  27          2HD1      LEU  27  -0.481  -1.406  -2.249
  189   3HD1  LEU  27          3HD1      LEU  27  -1.569  -1.939  -0.967
  190   1HD2  LEU  27          1HD2      LEU  27  -0.616  -4.769  -3.977
  191   2HD2  LEU  27          2HD2      LEU  27   0.414  -3.349  -3.779
  192   3HD2  LEU  27          3HD2      LEU  27   0.383  -4.598  -2.532
  193    H    ALA  28           H        ALA  28  -4.952  -4.107  -1.768
  194    HA   ALA  28           HA       ALA  28  -5.539  -1.542  -2.596
  195   1HB   ALA  28          1HB       ALA  28  -7.959  -3.049  -2.106
  196   2HB   ALA  28          2HB       ALA  28  -7.225  -2.552  -3.631
  197   3HB   ALA  28          3HB       ALA  28  -6.710  -4.048  -2.849
  198    H    LEU  29           H        LEU  29  -6.445  -3.141   0.432
  199    HA   LEU  29           HA       LEU  29  -8.315  -1.329   1.405
  200   1HB   LEU  29          1HB       LEU  29  -6.267  -3.021   2.796
  201   2HB   LEU  29          2HB       LEU  29  -7.378  -1.996   3.682
  202    HG   LEU  29           HG       LEU  29  -8.341  -4.080   1.743
  203   1HD1  LEU  29          1HD1      LEU  29  -8.668  -5.562   3.646
  204   2HD1  LEU  29          2HD1      LEU  29  -6.959  -5.189   3.412
  205   3HD1  LEU  29          3HD1      LEU  29  -7.868  -4.397   4.701
  206   1HD2  LEU  29          1HD2      LEU  29 -10.195  -3.802   3.717
  207   2HD2  LEU  29          2HD2      LEU  29  -9.558  -2.163   3.590
  208   3HD2  LEU  29          3HD2      LEU  29 -10.232  -2.958   2.168
  209    H    HIS  30           H        HIS  30  -4.784  -1.255   1.656
  210    HA   HIS  30           HA       HIS  30  -4.728   1.230   3.085
  211   1HB   HIS  30          1HB       HIS  30  -2.792  -0.011   3.461
  212   2HB   HIS  30          2HB       HIS  30  -2.671  -0.523   1.783
  213    HD1  HIS  30           HD1      HIS  30  -2.236   2.693   3.810
  214    HD2  HIS  30           HD2      HIS  30  -0.872   0.853   0.330
  215    HE1  HIS  30           HE1      HIS  30  -0.436   4.193   2.859
  216    H    ARG  31           H        ARG  31  -4.425   0.238  -0.282
  217    HA   ARG  31           HA       ARG  31  -3.555   2.783  -1.168
  218   1HB   ARG  31          1HB       ARG  31  -4.603   0.390  -2.668
  219   2HB   ARG  31          2HB       ARG  31  -4.009   1.846  -3.459
  220   1HG   ARG  31          1HG       ARG  31  -1.887   1.440  -2.008
  221   2HG   ARG  31          2HG       ARG  31  -2.509  -0.202  -1.886
  222   1HD   ARG  31          1HD       ARG  31  -0.883   0.071  -3.719
  223   2HD   ARG  31          2HD       ARG  31  -2.482  -0.441  -4.284
  224    HE   ARG  31           HE       ARG  31  -1.347   2.268  -4.549
  225   1HH1  ARG  31          1HH1      ARG  31  -3.609  -0.219  -5.556
  226   2HH1  ARG  31          2HH1      ARG  31  -4.144   0.659  -6.962
  227   1HH2  ARG  31          1HH2      ARG  31  -2.063   3.436  -6.381
  228   2HH2  ARG  31          2HH2      ARG  31  -3.245   2.728  -7.442
  229    H    LYS  32           H        LYS  32  -6.508   1.924  -0.058
  230    HA   LYS  32           HA       LYS  32  -8.236   3.245  -1.890
  231   1HB   LYS  32          1HB       LYS  32  -8.472   2.493   1.018
  232   2HB   LYS  32          2HB       LYS  32  -9.719   3.441   0.223
  233   1HG   LYS  32          1HG       LYS  32  -9.186   0.590   0.106
  234   2HG   LYS  32          2HG       LYS  32 -10.649   1.488  -0.299
  235   1HD   LYS  32          1HD       LYS  32  -9.550   2.114  -2.467
  236   2HD   LYS  32          2HD       LYS  32  -8.252   0.990  -2.054
  237   1HE   LYS  32          1HE       LYS  32  -9.650  -0.870  -2.216
  238   2HE   LYS  32          2HE       LYS  32 -11.115   0.101  -2.077
  239   1HZ   LYS  32          1HZ       LYS  32 -10.719  -0.702  -4.348
  240   2HZ   LYS  32          2HZ       LYS  32  -9.258   0.162  -4.394
  241   3HZ   LYS  32          3HZ       LYS  32 -10.730   0.992  -4.260
  242    H    ARG  33           H        ARG  33  -6.077   4.243   0.614
  243    HA   ARG  33           HA       ARG  33  -7.105   6.911   0.857
  244   1HB   ARG  33          1HB       ARG  33  -5.206   5.311   2.228
  245   2HB   ARG  33          2HB       ARG  33  -4.366   6.745   1.655
  246   1HG   ARG  33          1HG       ARG  33  -5.757   8.186   2.867
  247   2HG   ARG  33          2HG       ARG  33  -6.965   6.929   3.133
  248   1HD   ARG  33          1HD       ARG  33  -4.730   5.829   4.260
  249   2HD   ARG  33          2HD       ARG  33  -4.525   7.541   4.623
  250    HE   ARG  33           HE       ARG  33  -7.163   6.630   5.218
  251   1HH1  ARG  33          1HH1      ARG  33  -3.886   6.830   6.424
  252   2HH1  ARG  33          2HH1      ARG  33  -4.345   6.630   8.087
  253   1HH2  ARG  33          1HH2      ARG  33  -7.781   6.350   7.402
  254   2HH2  ARG  33          2HH2      ARG  33  -6.558   6.318   8.641
  255    H    HIS  34           H        HIS  34  -5.263   5.257  -1.413
  256    HA   HIS  34           HA       HIS  34  -3.918   7.657  -2.403
  257   1HB   HIS  34          1HB       HIS  34  -3.817   4.762  -3.275
  258   2HB   HIS  34          2HB       HIS  34  -3.011   6.060  -4.149
  259    HD1  HIS  34           HD1      HIS  34  -1.455   7.593  -2.244
  260    HD2  HIS  34           HD2      HIS  34  -2.088   3.519  -1.669
  261    HE1  HIS  34           HE1      HIS  34   0.372   6.792  -0.683
  262    H    MET  35           H        MET  35  -6.862   6.193  -2.580
  263    HA   MET  35           HA       MET  35  -7.414   6.990  -5.341
  264   1HB   MET  35          1HB       MET  35  -9.032   5.505  -3.271
  265   2HB   MET  35          2HB       MET  35  -9.722   6.055  -4.792
  266   1HG   MET  35          1HG       MET  35  -7.303   4.634  -5.316
  267   2HG   MET  35          2HG       MET  35  -8.335   3.665  -4.264
  268   1HE   MET  35          1HE       MET  35  -7.593   5.079  -7.637
  269   2HE   MET  35          2HE       MET  35  -9.027   4.811  -8.626
  270   3HE   MET  35          3HE       MET  35  -9.001   6.123  -7.444
  271    H    LEU  36           H        LEU  36  -6.848   8.758  -2.959
  272    HA   LEU  36           HA       LEU  36  -9.286  10.394  -3.062
  273   1HB   LEU  36          1HB       LEU  36  -7.066  10.543  -1.020
  274   2HB   LEU  36          2HB       LEU  36  -8.581  11.423  -0.988
  275    HG   LEU  36           HG       LEU  36  -8.463   8.418  -0.824
  276   1HD1  LEU  36          1HD1      LEU  36  -8.041  10.481   1.276
  277   2HD1  LEU  36          2HD1      LEU  36  -8.967   9.037   1.684
  278   3HD1  LEU  36          3HD1      LEU  36  -7.311   8.887   1.093
  279   1HD2  LEU  36          1HD2      LEU  36 -10.645   9.423   0.566
  280   2HD2  LEU  36          2HD2      LEU  36 -10.552  10.419  -0.887
  281   3HD2  LEU  36          3HD2      LEU  36 -10.665   8.664  -1.027
  282    H    VAL  37           H        VAL  37  -7.936  10.528  -5.235
  283    HA   VAL  37           HA       VAL  37  -5.877  12.577  -5.006
  284    HB   VAL  37           HB       VAL  37  -5.588  12.006  -7.531
  285   1HG1  VAL  37          1HG1      VAL  37  -4.274  11.261  -5.313
  286   2HG1  VAL  37          2HG1      VAL  37  -4.776   9.678  -5.908
  287   3HG1  VAL  37          3HG1      VAL  37  -3.814  10.741  -6.935
  288   1HG2  VAL  37          1HG2      VAL  37  -6.768   9.381  -6.690
  289   2HG2  VAL  37          2HG2      VAL  37  -7.763  10.628  -7.445
  290   3HG2  VAL  37          3HG2      VAL  37  -6.381   9.956  -8.311
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  10.666   2.655  -1.752
    2   2H    GLY   1          2H        GLY   1  10.748   4.067  -0.812
    3   3H    GLY   1          3H        GLY   1  12.154   3.178  -1.128
    4   1HA   GLY   1          1HA       GLY   1  10.584   4.852  -2.984
    5   2HA   GLY   1          2HA       GLY   1  12.290   4.986  -2.570
    6    H    SER   2           H        SER   2   9.907   2.949  -4.181
    7    HA   SER   2           HA       SER   2  10.027   1.505  -5.924
    8   1HB   SER   2          1HB       SER   2  12.474   3.136  -6.637
    9   2HB   SER   2          2HB       SER   2  11.632   2.031  -7.723
   10    HG   SER   2           HG       SER   2  10.331   4.210  -6.445
   11    H    THR   3           H        THR   3  11.004   0.433  -3.609
   12    HA   THR   3           HA       THR   3  13.583  -0.753  -3.951
   13    HB   THR   3           HB       THR   3  11.421  -1.913  -2.213
   14    HG1  THR   3           HG1      THR   3  11.319  -0.068  -1.200
   15   1HG2  THR   3          1HG2      THR   3  13.809  -2.881  -2.544
   16   2HG2  THR   3          2HG2      THR   3  13.165  -2.734  -0.909
   17   3HG2  THR   3          3HG2      THR   3  14.311  -1.539  -1.517
   18    H    ARG   4           H        ARG   4  14.092  -2.347  -5.279
   19    HA   ARG   4           HA       ARG   4  13.940  -4.063  -6.758
   20   1HB   ARG   4          1HB       ARG   4  11.625  -5.162  -5.187
   21   2HB   ARG   4          2HB       ARG   4  12.882  -6.038  -6.048
   22   1HG   ARG   4          1HG       ARG   4  13.829  -4.352  -3.839
   23   2HG   ARG   4          2HG       ARG   4  12.799  -5.708  -3.373
   24   1HD   ARG   4          1HD       ARG   4  15.221  -5.950  -5.147
   25   2HD   ARG   4          2HD       ARG   4  15.238  -6.227  -3.406
   26    HE   ARG   4           HE       ARG   4  13.829  -7.872  -5.403
   27   1HH1  ARG   4          1HH1      ARG   4  15.108  -7.420  -2.169
   28   2HH1  ARG   4          2HH1      ARG   4  14.878  -9.085  -1.708
   29   1HH2  ARG   4          1HH2      ARG   4  13.559 -10.063  -4.822
   30   2HH2  ARG   4          2HH2      ARG   4  14.027 -10.595  -3.229
   31    H    GLY   5           H        GLY   5  12.820  -1.920  -7.778
   32   1HA   GLY   5          1HA       GLY   5  11.401  -1.294  -9.490
   33   2HA   GLY   5          2HA       GLY   5  10.683  -2.901  -9.446
   34    H    SER   6           H        SER   6   8.845  -3.233  -8.329
   35    HA   SER   6           HA       SER   6   7.897  -1.119  -6.541
   36   1HB   SER   6          1HB       SER   6   6.030  -2.491  -8.472
   37   2HB   SER   6          2HB       SER   6   5.745  -1.045  -7.512
   38    HG   SER   6           HG       SER   6   7.303   0.036  -8.805
   39    H    THR   7           H        THR   7   9.048  -3.944  -6.442
   40    HA   THR   7           HA       THR   7   7.058  -5.009  -4.575
   41    HB   THR   7           HB       THR   7   7.931  -7.339  -5.520
   42    HG1  THR   7           HG1      THR   7   9.269  -6.590  -7.135
   43   1HG2  THR   7          1HG2      THR   7   5.942  -7.425  -6.975
   44   2HG2  THR   7          2HG2      THR   7   5.789  -5.673  -6.841
   45   3HG2  THR   7          3HG2      THR   7   5.588  -6.687  -5.412
   46    H    GLY   8           H        GLY   8   8.645  -3.930  -3.164
   47   1HA   GLY   8          1HA       GLY   8  11.252  -5.060  -2.864
   48   2HA   GLY   8          2HA       GLY   8  10.440  -3.991  -1.726
   49    H    ILE   9           H        ILE   9   9.424  -4.838   0.029
   50    HA   ILE   9           HA       ILE   9   9.911  -7.642   0.621
   51    HB   ILE   9           HB       ILE   9   8.253  -5.860   2.359
   52   1HG1  ILE   9          1HG1      ILE   9  11.190  -5.790   2.777
   53   2HG1  ILE   9          2HG1      ILE   9  10.563  -4.833   1.439
   54   1HG2  ILE   9          1HG2      ILE   9   8.450  -8.048   3.189
   55   2HG2  ILE   9          2HG2      ILE   9  10.168  -8.134   2.796
   56   3HG2  ILE   9          3HG2      ILE   9   9.616  -7.107   4.120
   57   1HD1  ILE   9          1HD1      ILE   9   9.837  -3.259   2.820
   58   2HD1  ILE   9          2HD1      ILE   9   9.002  -4.439   3.832
   59   3HD1  ILE   9          3HD1      ILE   9  10.710  -4.094   4.104
   60    H    LYS  10           H        LYS  10   8.137  -9.076   1.264
   61    HA   LYS  10           HA       LYS  10   6.203 -10.170   0.877
   62   1HB   LYS  10          1HB       LYS  10   5.490  -7.499   1.715
   63   2HB   LYS  10          2HB       LYS  10   4.245  -8.200   0.687
   64   1HG   LYS  10          1HG       LYS  10   3.527  -9.472   2.347
   65   2HG   LYS  10          2HG       LYS  10   5.131 -10.163   2.565
   66   1HD   LYS  10          1HD       LYS  10   4.357  -7.488   3.696
   67   2HD   LYS  10          2HD       LYS  10   4.101  -8.998   4.573
   68   1HE   LYS  10          1HE       LYS  10   6.786  -8.612   3.433
   69   2HE   LYS  10          2HE       LYS  10   6.349  -7.517   4.743
   70   1HZ   LYS  10          1HZ       LYS  10   5.947  -9.347   6.176
   71   2HZ   LYS  10          2HZ       LYS  10   7.460  -9.607   5.457
   72   3HZ   LYS  10          3HZ       LYS  10   6.107 -10.470   4.913
   73    HA   PRO  11           HA       PRO  11   5.470 -10.506  -3.425
   74   1HB   PRO  11          1HB       PRO  11   2.888 -11.473  -3.438
   75   2HB   PRO  11          2HB       PRO  11   4.329 -12.457  -3.153
   76   1HG   PRO  11          1HG       PRO  11   2.432 -11.258  -1.179
   77   2HG   PRO  11          2HG       PRO  11   3.185 -12.864  -1.175
   78   1HD   PRO  11          1HD       PRO  11   4.098 -10.894   0.392
   79   2HD   PRO  11          2HD       PRO  11   5.208 -12.046  -0.379
   80    H    PHE  12           H        PHE  12   3.263  -8.683  -1.449
   81    HA   PHE  12           HA       PHE  12   2.572  -7.026  -3.769
   82   1HB   PHE  12          1HB       PHE  12   0.705  -7.782  -1.510
   83   2HB   PHE  12          2HB       PHE  12   0.308  -6.745  -2.881
   84    HD1  PHE  12           HD1      PHE  12   0.754  -7.909  -5.242
   85    HD2  PHE  12           HD2      PHE  12   0.021  -9.955  -1.585
   86    HE1  PHE  12           HE1      PHE  12   0.010  -9.889  -6.502
   87    HE2  PHE  12           HE2      PHE  12  -0.726 -11.934  -2.834
   88    HZ   PHE  12           HZ       PHE  12  -0.732 -11.905  -5.297
   89    H    GLN  13           H        GLN  13   4.051  -5.427  -3.208
   90    HA   GLN  13           HA       GLN  13   3.744  -4.207  -0.562
   91   1HB   GLN  13          1HB       GLN  13   5.906  -3.514  -0.694
   92   2HB   GLN  13          2HB       GLN  13   6.027  -4.816  -1.870
   93   1HG   GLN  13          1HG       GLN  13   6.041  -3.372  -3.664
   94   2HG   GLN  13          2HG       GLN  13   5.276  -2.076  -2.757
   95   1HE2  GLN  13          1HE2      GLN  13   6.984  -2.332  -0.473
   96   2HE2  GLN  13          2HE2      GLN  13   8.504  -1.658  -0.936
   97    H    CYS  14           H        CYS  14   3.726  -1.767  -0.548
   98    HA   CYS  14           HA       CYS  14   1.842  -0.755  -2.487
   99   1HB   CYS  14          1HB       CYS  14   1.650   0.048  -0.192
  100   2HB   CYS  14          2HB       CYS  14   3.291   0.692  -0.275
  101    HA   PRO  15           HA       PRO  15   5.199   0.783  -5.033
  102   1HB   PRO  15          1HB       PRO  15   3.710   1.840  -6.995
  103   2HB   PRO  15          2HB       PRO  15   3.880   0.089  -6.813
  104   1HG   PRO  15          1HG       PRO  15   1.617   1.870  -5.999
  105   2HG   PRO  15          2HG       PRO  15   1.565   0.258  -6.737
  106   1HD   PRO  15          1HD       PRO  15   1.242   0.751  -4.044
  107   2HD   PRO  15          2HD       PRO  15   1.779  -0.796  -4.724
  108    H    ASP  16           H        ASP  16   2.955   2.470  -3.180
  109    HA   ASP  16           HA       ASP  16   3.967   5.088  -4.048
  110   1HB   ASP  16          1HB       ASP  16   1.400   4.088  -3.009
  111   2HB   ASP  16          2HB       ASP  16   1.903   5.650  -2.391
  112    H    CYS  17           H        CYS  17   3.401   3.047  -1.234
  113    HA   CYS  17           HA       CYS  17   4.711   4.981   0.520
  114   1HB   CYS  17          1HB       CYS  17   3.429   2.316   1.164
  115   2HB   CYS  17          2HB       CYS  17   4.082   3.436   2.349
  116    H    ASP  18           H        ASP  18   5.142   1.888  -0.928
  117    HA   ASP  18           HA       ASP  18   6.917   0.448  -1.094
  118   1HB   ASP  18          1HB       ASP  18   8.367   2.659  -0.435
  119   2HB   ASP  18          2HB       ASP  18   8.616   1.669   1.000
  120    H    ARG  19           H        ARG  19   4.671   0.309   0.432
  121    HA   ARG  19           HA       ARG  19   5.243  -0.635   3.092
  122   1HB   ARG  19          1HB       ARG  19   2.823  -0.394   1.361
  123   2HB   ARG  19          2HB       ARG  19   2.764  -1.496   2.729
  124   1HG   ARG  19          1HG       ARG  19   3.814   0.786   3.831
  125   2HG   ARG  19          2HG       ARG  19   2.648   1.407   2.659
  126   1HD   ARG  19          1HD       ARG  19   1.539  -0.829   4.072
  127   2HD   ARG  19          2HD       ARG  19   2.140   0.368   5.217
  128    HE   ARG  19           HE       ARG  19  -0.003   0.745   3.238
  129   1HH1  ARG  19          1HH1      ARG  19   1.996   2.022   5.844
  130   2HH1  ARG  19          2HH1      ARG  19   0.898   3.320   6.228
  131   1HH2  ARG  19          1HH2      ARG  19  -1.459   2.489   3.806
  132   2HH2  ARG  19          2HH2      ARG  19  -1.029   3.592   5.069
  133    H    SER  20           H        SER  20   3.540  -2.930   3.150
  134    HA   SER  20           HA       SER  20   4.365  -4.798   1.156
  135   1HB   SER  20          1HB       SER  20   5.545  -6.254   3.029
  136   2HB   SER  20          2HB       SER  20   6.449  -5.068   2.087
  137    HG   SER  20           HG       SER  20   6.222  -3.600   3.802
  138    H    PHE  21           H        PHE  21   2.756  -6.173   0.962
  139    HA   PHE  21           HA       PHE  21   1.308  -7.056   3.362
  140   1HB   PHE  21          1HB       PHE  21  -0.003  -6.257   0.752
  141   2HB   PHE  21          2HB       PHE  21  -0.822  -6.827   2.203
  142    HD1  PHE  21           HD1      PHE  21  -1.302  -5.374   3.998
  143    HD2  PHE  21           HD2      PHE  21   1.100  -4.049   0.747
  144    HE1  PHE  21           HE1      PHE  21  -1.488  -3.061   4.811
  145    HE2  PHE  21           HE2      PHE  21   0.913  -1.736   1.551
  146    HZ   PHE  21           HZ       PHE  21  -0.369  -1.239   3.587
  147    H    SER  22           H        SER  22   0.677  -9.154   3.353
  148    HA   SER  22           HA       SER  22   1.876 -10.876   1.392
  149   1HB   SER  22          1HB       SER  22   0.076 -12.309   3.077
  150   2HB   SER  22          2HB       SER  22   1.838 -12.273   3.155
  151    HG   SER  22           HG       SER  22   1.235 -11.503   5.090
  152    H    ARG  23           H        ARG  23  -1.188  -9.442   2.001
  153    HA   ARG  23           HA       ARG  23  -2.391 -10.978  -0.202
  154   1HB   ARG  23          1HB       ARG  23  -3.879  -9.537   1.994
  155   2HB   ARG  23          2HB       ARG  23  -4.561 -10.591   0.767
  156   1HG   ARG  23          1HG       ARG  23  -2.838 -12.296   1.912
  157   2HG   ARG  23          2HG       ARG  23  -3.200 -11.248   3.292
  158   1HD   ARG  23          1HD       ARG  23  -5.130 -12.828   1.613
  159   2HD   ARG  23          2HD       ARG  23  -4.777 -13.031   3.328
  160    HE   ARG  23           HE       ARG  23  -5.977 -10.525   2.369
  161   1HH1  ARG  23          1HH1      ARG  23  -6.233 -13.463   4.266
  162   2HH1  ARG  23          2HH1      ARG  23  -7.635 -12.919   5.137
  163   1HH2  ARG  23          1HH2      ARG  23  -7.810  -9.830   3.452
  164   2HH2  ARG  23          2HH2      ARG  23  -8.569 -10.851   4.646
  165    H    SER  24           H        SER  24  -3.068  -9.902  -1.918
  166    HA   SER  24           HA       SER  24  -2.415  -7.171  -2.321
  167   1HB   SER  24          1HB       SER  24  -3.148  -9.347  -3.917
  168   2HB   SER  24          2HB       SER  24  -4.449  -8.181  -4.133
  169    HG   SER  24           HG       SER  24  -2.921  -6.638  -4.760
  170    H    ASP  25           H        ASP  25  -5.198  -8.872  -1.176
  171    HA   ASP  25           HA       ASP  25  -7.171  -6.933  -1.503
  172   1HB   ASP  25          1HB       ASP  25  -8.341  -8.636  -0.668
  173   2HB   ASP  25          2HB       ASP  25  -6.856  -9.474  -0.291
  174    H    HIS  26           H        HIS  26  -4.824  -7.450   1.091
  175    HA   HIS  26           HA       HIS  26  -5.768  -5.315   2.734
  176   1HB   HIS  26          1HB       HIS  26  -3.512  -7.207   2.756
  177   2HB   HIS  26          2HB       HIS  26  -3.152  -5.640   3.470
  178    HD1  HIS  26           HD1      HIS  26  -3.147  -6.240   5.911
  179    HD2  HIS  26           HD2      HIS  26  -6.561  -7.556   3.915
  180    HE1  HIS  26           HE1      HIS  26  -4.687  -7.117   7.698
  181    HE2  HIS  26           HE2      HIS  26  -6.708  -7.992   6.464
  182    H    LEU  27           H        LEU  27  -3.432  -5.651   0.169
  183    HA   LEU  27           HA       LEU  27  -2.118  -3.178   0.320
  184   1HB   LEU  27          1HB       LEU  27  -1.615  -5.156  -1.207
  185   2HB   LEU  27          2HB       LEU  27  -2.926  -4.591  -2.222
  186    HG   LEU  27           HG       LEU  27  -1.693  -2.953  -3.136
  187   1HD1  LEU  27          1HD1      LEU  27  -0.143  -1.518  -2.007
  188   2HD1  LEU  27          2HD1      LEU  27  -1.605  -1.675  -1.032
  189   3HD1  LEU  27          3HD1      LEU  27  -0.147  -2.564  -0.587
  190   1HD2  LEU  27          1HD2      LEU  27   0.543  -4.560  -1.929
  191   2HD2  LEU  27          2HD2      LEU  27  -0.315  -4.930  -3.426
  192   3HD2  LEU  27          3HD2      LEU  27   0.669  -3.471  -3.313
  193    H    ALA  28           H        ALA  28  -4.860  -4.112  -1.741
  194    HA   ALA  28           HA       ALA  28  -5.462  -1.613  -2.756
  195   1HB   ALA  28          1HB       ALA  28  -7.707  -3.491  -2.228
  196   2HB   ALA  28          2HB       ALA  28  -7.311  -2.578  -3.684
  197   3HB   ALA  28          3HB       ALA  28  -6.391  -4.025  -3.276
  198    H    LEU  29           H        LEU  29  -6.596  -3.101   0.257
  199    HA   LEU  29           HA       LEU  29  -8.592  -1.271   0.921
  200   1HB   LEU  29          1HB       LEU  29  -6.736  -2.850   2.684
  201   2HB   LEU  29          2HB       LEU  29  -8.087  -1.913   3.290
  202    HG   LEU  29           HG       LEU  29  -8.427  -4.124   1.278
  203   1HD1  LEU  29          1HD1      LEU  29  -9.339  -5.269   3.474
  204   2HD1  LEU  29          2HD1      LEU  29  -7.646  -5.396   2.998
  205   3HD1  LEU  29          3HD1      LEU  29  -8.130  -4.231   4.230
  206   1HD2  LEU  29          1HD2      LEU  29 -10.460  -3.118   3.231
  207   2HD2  LEU  29          2HD2      LEU  29 -10.179  -2.274   1.709
  208   3HD2  LEU  29          3HD2      LEU  29 -10.700  -3.959   1.698
  209    H    HIS  30           H        HIS  30  -5.148  -1.218   1.801
  210    HA   HIS  30           HA       HIS  30  -5.323   1.325   3.090
  211   1HB   HIS  30          1HB       HIS  30  -3.270   0.832   3.810
  212   2HB   HIS  30          2HB       HIS  30  -3.412  -0.695   2.959
  213    HD1  HIS  30           HD1      HIS  30  -1.789  -1.114   1.122
  214    HD2  HIS  30           HD2      HIS  30  -1.912   2.878   2.262
  215    HE1  HIS  30           HE1      HIS  30   0.118   0.032  -0.069
  216    H    ARG  31           H        ARG  31  -4.773   0.263  -0.188
  217    HA   ARG  31           HA       ARG  31  -3.684   2.754  -1.064
  218   1HB   ARG  31          1HB       ARG  31  -4.719   0.362  -2.571
  219   2HB   ARG  31          2HB       ARG  31  -4.133   1.816  -3.374
  220   1HG   ARG  31          1HG       ARG  31  -2.050   1.400  -1.789
  221   2HG   ARG  31          2HG       ARG  31  -2.633  -0.260  -1.880
  222   1HD   ARG  31          1HD       ARG  31  -1.105  -0.107  -3.630
  223   2HD   ARG  31          2HD       ARG  31  -2.677   0.097  -4.416
  224    HE   ARG  31           HE       ARG  31  -0.770   2.270  -3.821
  225   1HH1  ARG  31          1HH1      ARG  31  -3.325   0.873  -5.765
  226   2HH1  ARG  31          2HH1      ARG  31  -3.370   2.208  -6.882
  227   1HH2  ARG  31          1HH2      ARG  31  -0.825   4.038  -5.294
  228   2HH2  ARG  31          2HH2      ARG  31  -1.962   3.997  -6.608
  229    H    LYS  32           H        LYS  32  -6.681   2.087  -0.023
  230    HA   LYS  32           HA       LYS  32  -8.266   3.579  -1.891
  231   1HB   LYS  32          1HB       LYS  32  -8.632   2.348   0.738
  232   2HB   LYS  32          2HB       LYS  32  -9.477   3.881   0.575
  233   1HG   LYS  32          1HG       LYS  32 -11.108   2.605  -0.273
  234   2HG   LYS  32          2HG       LYS  32 -10.150   2.698  -1.753
  235   1HD   LYS  32          1HD       LYS  32  -8.959   0.619  -0.452
  236   2HD   LYS  32          2HD       LYS  32 -10.646   0.429   0.036
  237   1HE   LYS  32          1HE       LYS  32  -9.975   0.911  -2.834
  238   2HE   LYS  32          2HE       LYS  32  -9.768  -0.702  -2.150
  239   1HZ   LYS  32          1HZ       LYS  32 -11.984  -0.159  -3.229
  240   2HZ   LYS  32          2HZ       LYS  32 -12.308   0.793  -1.865
  241   3HZ   LYS  32          3HZ       LYS  32 -12.033  -0.874  -1.692
  242    H    ARG  33           H        ARG  33  -6.068   4.255   0.667
  243    HA   ARG  33           HA       ARG  33  -6.815   7.014   1.001
  244   1HB   ARG  33          1HB       ARG  33  -4.178   5.808   1.809
  245   2HB   ARG  33          2HB       ARG  33  -5.024   7.169   2.533
  246   1HG   ARG  33          1HG       ARG  33  -6.131   4.377   2.598
  247   2HG   ARG  33          2HG       ARG  33  -5.022   4.987   3.828
  248   1HD   ARG  33          1HD       ARG  33  -6.832   5.747   4.881
  249   2HD   ARG  33          2HD       ARG  33  -6.900   6.987   3.628
  250    HE   ARG  33           HE       ARG  33  -8.674   5.887   2.637
  251   1HH1  ARG  33          1HH1      ARG  33  -7.362   3.963   5.266
  252   2HH1  ARG  33          2HH1      ARG  33  -8.708   2.855   5.291
  253   1HH2  ARG  33          1HH2      ARG  33 -10.439   4.431   2.672
  254   2HH2  ARG  33          2HH2      ARG  33 -10.467   3.141   3.844
  255    H    HIS  34           H        HIS  34  -5.323   5.320  -1.422
  256    HA   HIS  34           HA       HIS  34  -3.628   7.576  -2.219
  257   1HB   HIS  34          1HB       HIS  34  -3.821   4.745  -3.271
  258   2HB   HIS  34          2HB       HIS  34  -2.836   6.001  -4.020
  259    HD1  HIS  34           HD1      HIS  34  -1.362   7.266  -1.786
  260    HD2  HIS  34           HD2      HIS  34  -2.144   3.181  -1.854
  261    HE1  HIS  34           HE1      HIS  34   0.269   6.199  -0.182
  262    H    MET  35           H        MET  35  -6.703   6.512  -2.475
  263    HA   MET  35           HA       MET  35  -7.179   7.593  -5.154
  264   1HB   MET  35          1HB       MET  35  -9.102   6.473  -3.106
  265   2HB   MET  35          2HB       MET  35  -9.554   7.046  -4.703
  266   1HG   MET  35          1HG       MET  35  -8.133   5.300  -5.700
  267   2HG   MET  35          2HG       MET  35  -7.774   4.704  -4.080
  268   1HE   MET  35          1HE       MET  35  -9.779   3.444  -6.990
  269   2HE   MET  35          2HE       MET  35 -11.416   4.002  -6.644
  270   3HE   MET  35          3HE       MET  35 -10.121   5.172  -6.901
  271    H    LEU  36           H        LEU  36  -7.867   8.143  -1.758
  272    HA   LEU  36           HA       LEU  36  -8.260  10.995  -2.347
  273   1HB   LEU  36          1HB       LEU  36  -9.488   9.941   0.121
  274   2HB   LEU  36          2HB       LEU  36 -10.073  11.163  -0.990
  275    HG   LEU  36           HG       LEU  36 -10.103   8.363  -1.968
  276   1HD1  LEU  36          1HD1      LEU  36 -11.247   7.548  -0.246
  277   2HD1  LEU  36          2HD1      LEU  36 -11.356   9.135   0.517
  278   3HD1  LEU  36          3HD1      LEU  36 -12.552   8.650  -0.687
  279   1HD2  LEU  36          1HD2      LEU  36 -10.883  10.393  -3.240
  280   2HD2  LEU  36          2HD2      LEU  36 -12.051   9.078  -3.108
  281   3HD2  LEU  36          3HD2      LEU  36 -12.211  10.507  -2.085
  282    H    VAL  37           H        VAL  37  -5.981  11.179  -2.021
  283    HA   VAL  37           HA       VAL  37  -4.758  10.246   0.370
  284    HB   VAL  37           HB       VAL  37  -3.550  12.388  -1.363
  285   1HG1  VAL  37          1HG1      VAL  37  -1.470  11.398  -0.726
  286   2HG1  VAL  37          2HG1      VAL  37  -2.427  11.630   0.737
  287   3HG1  VAL  37          3HG1      VAL  37  -2.288  10.024   0.018
  288   1HG2  VAL  37          1HG2      VAL  37  -2.579  10.406  -2.677
  289   2HG2  VAL  37          2HG2      VAL  37  -3.934   9.485  -2.023
  290   3HG2  VAL  37          3HG2      VAL  37  -4.234  10.900  -3.032
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1   6.303   6.869  -1.412
    2   2H    GLY   1          2H        GLY   1   7.713   7.351  -2.217
    3   3H    GLY   1          3H        GLY   1   7.260   8.117  -0.774
    4   1HA   GLY   1          1HA       GLY   1   8.848   6.717   0.028
    5   2HA   GLY   1          2HA       GLY   1   7.411   5.719   0.198
    6    H    SER   2           H        SER   2  10.499   5.539  -0.644
    7    HA   SER   2           HA       SER   2  10.061   3.196  -2.305
    8   1HB   SER   2          1HB       SER   2  12.167   4.456  -3.639
    9   2HB   SER   2          2HB       SER   2  10.521   4.251  -4.237
   10    HG   SER   2           HG       SER   2  11.665   6.484  -2.911
   11    H    THR   3           H        THR   3  11.036   1.788  -0.959
   12    HA   THR   3           HA       THR   3  13.704   2.440   0.047
   13    HB   THR   3           HB       THR   3  13.456   0.442   1.506
   14    HG1  THR   3           HG1      THR   3  11.181   0.140  -0.040
   15   1HG2  THR   3          1HG2      THR   3  12.445   2.924   1.903
   16   2HG2  THR   3          2HG2      THR   3  12.436   1.646   3.117
   17   3HG2  THR   3          3HG2      THR   3  11.001   1.937   2.132
   18    H    ARG   4           H        ARG   4  11.937   0.446  -2.019
   19    HA   ARG   4           HA       ARG   4  14.385  -0.549  -3.255
   20   1HB   ARG   4          1HB       ARG   4  12.153  -2.324  -2.251
   21   2HB   ARG   4          2HB       ARG   4  13.299  -2.843  -3.480
   22   1HG   ARG   4          1HG       ARG   4  14.555  -1.746  -1.082
   23   2HG   ARG   4          2HG       ARG   4  13.590  -3.195  -0.794
   24   1HD   ARG   4          1HD       ARG   4  14.834  -4.176  -2.815
   25   2HD   ARG   4          2HD       ARG   4  15.967  -2.844  -2.586
   26    HE   ARG   4           HE       ARG   4  15.504  -5.088  -0.762
   27   1HH1  ARG   4          1HH1      ARG   4  17.237  -2.159  -1.555
   28   2HH1  ARG   4          2HH1      ARG   4  18.482  -2.413  -0.367
   29   1HH2  ARG   4          1HH2      ARG   4  17.127  -5.441   0.813
   30   2HH2  ARG   4          2HH2      ARG   4  18.442  -4.310   0.950
   31    H    GLY   5           H        GLY   5  12.995   1.455  -4.294
   32   1HA   GLY   5          1HA       GLY   5  11.989   2.115  -6.263
   33   2HA   GLY   5          2HA       GLY   5  12.015   0.434  -6.778
   34    H    SER   6           H        SER   6  10.537   1.379  -3.798
   35    HA   SER   6           HA       SER   6   8.462   1.356  -2.987
   36   1HB   SER   6          1HB       SER   6   7.594   1.777  -5.839
   37   2HB   SER   6          2HB       SER   6   6.646   2.082  -4.389
   38    HG   SER   6           HG       SER   6   8.022   3.742  -3.837
   39    H    THR   7           H        THR   7   9.808  -1.031  -4.458
   40    HA   THR   7           HA       THR   7   7.551  -2.817  -3.964
   41    HB   THR   7           HB       THR   7   8.567  -4.250  -5.920
   42    HG1  THR   7           HG1      THR   7  10.290  -2.980  -6.523
   43   1HG2  THR   7          1HG2      THR   7   6.532  -2.184  -5.848
   44   2HG2  THR   7          2HG2      THR   7   6.491  -3.775  -6.607
   45   3HG2  THR   7          3HG2      THR   7   7.190  -2.404  -7.468
   46    H    GLY   8           H        GLY   8   8.825  -2.818  -1.949
   47   1HA   GLY   8          1HA       GLY   8  11.348  -4.258  -2.116
   48   2HA   GLY   8          2HA       GLY   8  10.670  -3.496  -0.688
   49    H    ILE   9           H        ILE   9   9.352  -4.618   0.641
   50    HA   ILE   9           HA       ILE   9   9.782  -7.473   0.588
   51    HB   ILE   9           HB       ILE   9   8.111  -6.047   2.637
   52   1HG1  ILE   9          1HG1      ILE   9  11.124  -6.210   2.705
   53   2HG1  ILE   9          2HG1      ILE   9  10.247  -4.774   2.187
   54   1HG2  ILE   9          1HG2      ILE   9   8.701  -8.647   2.426
   55   2HG2  ILE   9          2HG2      ILE   9  10.112  -8.107   3.338
   56   3HG2  ILE   9          3HG2      ILE   9   8.493  -7.833   3.977
   57   1HD1  ILE   9          1HD1      ILE   9  11.040  -5.389   4.757
   58   2HD1  ILE   9          2HD1      ILE   9   9.893  -4.138   4.278
   59   3HD1  ILE   9          3HD1      ILE   9   9.309  -5.736   4.745
   60    H    LYS  10           H        LYS  10   8.069  -9.041   0.997
   61    HA   LYS  10           HA       LYS  10   6.139 -10.116   0.528
   62   1HB   LYS  10          1HB       LYS  10   5.392  -7.546   1.644
   63   2HB   LYS  10          2HB       LYS  10   4.135  -8.202   0.598
   64   1HG   LYS  10          1HG       LYS  10   3.521  -9.636   2.163
   65   2HG   LYS  10          2HG       LYS  10   5.156 -10.292   2.253
   66   1HD   LYS  10          1HD       LYS  10   4.931  -7.708   3.557
   67   2HD   LYS  10          2HD       LYS  10   3.829  -8.904   4.244
   68   1HE   LYS  10          1HE       LYS  10   5.839 -10.471   4.310
   69   2HE   LYS  10          2HE       LYS  10   6.821  -9.037   4.013
   70   1HZ   LYS  10          1HZ       LYS  10   6.127  -9.911   6.442
   71   2HZ   LYS  10          2HZ       LYS  10   4.894  -8.780   6.162
   72   3HZ   LYS  10          3HZ       LYS  10   6.520  -8.297   6.092
   73    HA   PRO  11           HA       PRO  11   5.395  -9.911  -3.769
   74   1HB   PRO  11          1HB       PRO  11   2.979 -11.189  -3.914
   75   2HB   PRO  11          2HB       PRO  11   4.519 -12.024  -3.689
   76   1HG   PRO  11          1HG       PRO  11   2.473 -11.240  -1.651
   77   2HG   PRO  11          2HG       PRO  11   3.379 -12.758  -1.799
   78   1HD   PRO  11          1HD       PRO  11   4.075 -10.875  -0.022
   79   2HD   PRO  11          2HD       PRO  11   5.296 -11.846  -0.869
   80    H    PHE  12           H        PHE  12   3.124  -8.607  -1.508
   81    HA   PHE  12           HA       PHE  12   2.027  -6.872  -3.616
   82   1HB   PHE  12          1HB       PHE  12   0.517  -7.927  -1.222
   83   2HB   PHE  12          2HB       PHE  12  -0.139  -6.954  -2.537
   84    HD1  PHE  12           HD1      PHE  12  -0.035 -10.145  -1.275
   85    HD2  PHE  12           HD2      PHE  12   0.409  -8.068  -4.960
   86    HE1  PHE  12           HE1      PHE  12  -0.622 -12.196  -2.493
   87    HE2  PHE  12           HE2      PHE  12  -0.172 -10.120  -6.190
   88    HZ   PHE  12           HZ       PHE  12  -0.686 -12.189  -4.956
   89    H    GLN  13           H        GLN  13   3.628  -5.301  -2.974
   90    HA   GLN  13           HA       GLN  13   3.144  -4.073  -0.360
   91   1HB   GLN  13          1HB       GLN  13   5.348  -3.239  -0.476
   92   2HB   GLN  13          2HB       GLN  13   5.427  -4.898  -1.062
   93   1HG   GLN  13          1HG       GLN  13   5.065  -2.687  -3.001
   94   2HG   GLN  13          2HG       GLN  13   6.655  -3.009  -2.321
   95   1HE2  GLN  13          1HE2      GLN  13   7.350  -5.326  -2.446
   96   2HE2  GLN  13          2HE2      GLN  13   6.990  -6.177  -3.910
   97    H    CYS  14           H        CYS  14   3.218  -1.656  -0.325
   98    HA   CYS  14           HA       CYS  14   1.511  -0.593  -2.360
   99   1HB   CYS  14          1HB       CYS  14   1.218   0.239  -0.106
  100   2HB   CYS  14          2HB       CYS  14   2.898   0.773  -0.043
  101    HA   PRO  15           HA       PRO  15   4.943   0.732  -4.910
  102   1HB   PRO  15          1HB       PRO  15   3.489   1.698  -6.957
  103   2HB   PRO  15          2HB       PRO  15   3.666  -0.039  -6.675
  104   1HG   PRO  15          1HG       PRO  15   1.383   1.767  -5.996
  105   2HG   PRO  15          2HG       PRO  15   1.351   0.119  -6.649
  106   1HD   PRO  15          1HD       PRO  15   0.961   0.735  -4.002
  107   2HD   PRO  15          2HD       PRO  15   1.564  -0.831  -4.581
  108    H    ASP  16           H        ASP  16   2.895   2.553  -3.072
  109    HA   ASP  16           HA       ASP  16   3.854   5.109  -4.154
  110   1HB   ASP  16          1HB       ASP  16   1.374   4.218  -2.845
  111   2HB   ASP  16          2HB       ASP  16   1.981   5.771  -2.299
  112    H    CYS  17           H        CYS  17   3.449   3.233  -1.204
  113    HA   CYS  17           HA       CYS  17   5.176   5.110   0.237
  114   1HB   CYS  17          1HB       CYS  17   3.539   2.839   1.367
  115   2HB   CYS  17          2HB       CYS  17   4.359   4.102   2.280
  116    H    ASP  18           H        ASP  18   4.947   1.829  -0.852
  117    HA   ASP  18           HA       ASP  18   6.468   0.153  -1.063
  118   1HB   ASP  18          1HB       ASP  18   8.228   2.083  -1.162
  119   2HB   ASP  18          2HB       ASP  18   8.569   1.621   0.504
  120    H    ARG  19           H        ARG  19   4.589  -0.047   0.666
  121    HA   ARG  19           HA       ARG  19   5.617  -0.753   3.294
  122   1HB   ARG  19          1HB       ARG  19   2.849  -1.480   2.501
  123   2HB   ARG  19          2HB       ARG  19   3.444  -0.809   4.013
  124   1HG   ARG  19          1HG       ARG  19   3.821   1.208   2.130
  125   2HG   ARG  19          2HG       ARG  19   2.241   0.514   1.759
  126   1HD   ARG  19          1HD       ARG  19   3.082   1.340   4.528
  127   2HD   ARG  19          2HD       ARG  19   2.244   2.418   3.411
  128    HE   ARG  19           HE       ARG  19   0.372   0.815   3.452
  129   1HH1  ARG  19          1HH1      ARG  19   2.779   0.662   6.007
  130   2HH1  ARG  19          2HH1      ARG  19   1.702  -0.061   7.167
  131   1HH2  ARG  19          1HH2      ARG  19  -1.072  -0.101   5.031
  132   2HH2  ARG  19          2HH2      ARG  19  -0.482  -0.452   6.622
  133    H    SER  20           H        SER  20   3.610  -3.024   3.408
  134    HA   SER  20           HA       SER  20   4.368  -4.904   1.414
  135   1HB   SER  20          1HB       SER  20   5.384  -6.424   3.391
  136   2HB   SER  20          2HB       SER  20   6.387  -5.416   2.350
  137    HG   SER  20           HG       SER  20   6.545  -3.902   3.933
  138    H    PHE  21           H        PHE  21   2.685  -6.200   1.182
  139    HA   PHE  21           HA       PHE  21   1.183  -7.029   3.569
  140   1HB   PHE  21          1HB       PHE  21  -0.200  -6.373   0.972
  141   2HB   PHE  21          2HB       PHE  21  -0.917  -6.600   2.562
  142    HD1  PHE  21           HD1      PHE  21  -1.240  -4.784   4.011
  143    HD2  PHE  21           HD2      PHE  21   1.163  -4.312   0.530
  144    HE1  PHE  21           HE1      PHE  21  -1.214  -2.349   4.360
  145    HE2  PHE  21           HE2      PHE  21   1.188  -1.880   0.871
  146    HZ   PHE  21           HZ       PHE  21   0.007  -0.898   2.789
  147    H    SER  22           H        SER  22   0.574  -9.163   3.544
  148    HA   SER  22           HA       SER  22   1.819 -10.842   1.595
  149   1HB   SER  22          1HB       SER  22  -0.188 -12.133   3.295
  150   2HB   SER  22          2HB       SER  22   1.546 -12.435   3.176
  151    HG   SER  22           HG       SER  22   1.921 -11.118   4.798
  152    H    ARG  23           H        ARG  23  -1.294  -9.427   2.054
  153    HA   ARG  23           HA       ARG  23  -2.426 -10.992  -0.185
  154   1HB   ARG  23          1HB       ARG  23  -3.900  -9.428   1.948
  155   2HB   ARG  23          2HB       ARG  23  -4.629 -10.410   0.685
  156   1HG   ARG  23          1HG       ARG  23  -3.667 -12.413   1.662
  157   2HG   ARG  23          2HG       ARG  23  -2.887 -11.439   2.913
  158   1HD   ARG  23          1HD       ARG  23  -5.050 -12.578   3.569
  159   2HD   ARG  23          2HD       ARG  23  -4.952 -10.847   3.884
  160    HE   ARG  23           HE       ARG  23  -6.624 -10.483   2.345
  161   1HH1  ARG  23          1HH1      ARG  23  -5.413 -13.750   1.966
  162   2HH1  ARG  23          2HH1      ARG  23  -6.772 -14.286   1.028
  163   1HH2  ARG  23          1HH2      ARG  23  -8.422 -11.190   1.107
  164   2HH2  ARG  23          2HH2      ARG  23  -8.466 -12.823   0.514
  165    H    SER  24           H        SER  24  -3.111 -10.064  -1.906
  166    HA   SER  24           HA       SER  24  -2.390  -7.414  -2.565
  167   1HB   SER  24          1HB       SER  24  -4.276  -8.225  -4.403
  168   2HB   SER  24          2HB       SER  24  -2.549  -8.554  -4.497
  169    HG   SER  24           HG       SER  24  -4.492 -10.304  -4.311
  170    H    ASP  25           H        ASP  25  -5.186  -8.918  -1.213
  171    HA   ASP  25           HA       ASP  25  -7.064  -6.863  -1.599
  172   1HB   ASP  25          1HB       ASP  25  -8.324  -8.509  -0.787
  173   2HB   ASP  25          2HB       ASP  25  -6.900  -9.409  -0.323
  174    H    HIS  26           H        HIS  26  -4.685  -7.547   0.917
  175    HA   HIS  26           HA       HIS  26  -5.439  -5.421   2.656
  176   1HB   HIS  26          1HB       HIS  26  -3.167  -7.313   2.436
  177   2HB   HIS  26          2HB       HIS  26  -2.835  -5.801   3.272
  178    HD1  HIS  26           HD1      HIS  26  -2.689  -6.683   5.629
  179    HD2  HIS  26           HD2      HIS  26  -6.182  -7.829   3.686
  180    HE1  HIS  26           HE1      HIS  26  -4.126  -7.757   7.390
  181    HE2  HIS  26           HE2      HIS  26  -6.105  -8.667   6.132
  182    H    LEU  27           H        LEU  27  -3.278  -5.738  -0.069
  183    HA   LEU  27           HA       LEU  27  -1.888  -3.309   0.040
  184   1HB   LEU  27          1HB       LEU  27  -1.600  -5.239  -1.606
  185   2HB   LEU  27          2HB       LEU  27  -2.972  -4.582  -2.472
  186    HG   LEU  27           HG       LEU  27  -1.762  -2.946  -3.424
  187   1HD1  LEU  27          1HD1      LEU  27   0.172  -2.711  -1.146
  188   2HD1  LEU  27          2HD1      LEU  27  -0.219  -1.527  -2.396
  189   3HD1  LEU  27          3HD1      LEU  27  -1.397  -1.903  -1.137
  190   1HD2  LEU  27          1HD2      LEU  27   0.309  -4.928  -2.573
  191   2HD2  LEU  27          2HD2      LEU  27  -0.484  -4.750  -4.140
  192   3HD2  LEU  27          3HD2      LEU  27   0.697  -3.551  -3.608
  193    H    ALA  28           H        ALA  28  -4.761  -4.061  -1.901
  194    HA   ALA  28           HA       ALA  28  -5.332  -1.480  -2.715
  195   1HB   ALA  28          1HB       ALA  28  -6.889  -3.999  -2.526
  196   2HB   ALA  28          2HB       ALA  28  -7.777  -2.502  -2.808
  197   3HB   ALA  28          3HB       ALA  28  -6.511  -3.001  -3.930
  198    H    LEU  29           H        LEU  29  -6.339  -3.147   0.237
  199    HA   LEU  29           HA       LEU  29  -8.273  -1.334   1.110
  200   1HB   LEU  29          1HB       LEU  29  -6.374  -3.042   2.703
  201   2HB   LEU  29          2HB       LEU  29  -7.715  -2.155   3.400
  202    HG   LEU  29           HG       LEU  29  -7.921  -4.399   1.393
  203   1HD1  LEU  29          1HD1      LEU  29  -7.906  -4.280   4.299
  204   2HD1  LEU  29          2HD1      LEU  29  -9.351  -5.054   3.649
  205   3HD1  LEU  29          3HD1      LEU  29  -7.754  -5.666   3.218
  206   1HD2  LEU  29          1HD2      LEU  29 -10.109  -2.850   2.768
  207   2HD2  LEU  29          2HD2      LEU  29  -9.650  -2.676   1.073
  208   3HD2  LEU  29          3HD2      LEU  29 -10.318  -4.202   1.655
  209    H    HIS  30           H        HIS  30  -4.769  -1.365   1.709
  210    HA   HIS  30           HA       HIS  30  -4.819   1.072   3.217
  211   1HB   HIS  30          1HB       HIS  30  -2.909  -0.126   3.737
  212   2HB   HIS  30          2HB       HIS  30  -2.673  -0.684   2.087
  213    HD1  HIS  30           HD1      HIS  30  -2.151   2.423   4.214
  214    HD2  HIS  30           HD2      HIS  30  -0.952   0.774   0.584
  215    HE1  HIS  30           HE1      HIS  30  -0.380   3.971   3.265
  216    H    ARG  31           H        ARG  31  -4.370   0.196  -0.145
  217    HA   ARG  31           HA       ARG  31  -3.414   2.753  -0.941
  218   1HB   ARG  31          1HB       ARG  31  -4.440   0.381  -2.488
  219   2HB   ARG  31          2HB       ARG  31  -3.923   1.869  -3.276
  220   1HG   ARG  31          1HG       ARG  31  -1.759   1.512  -1.847
  221   2HG   ARG  31          2HG       ARG  31  -2.309  -0.161  -1.814
  222   1HD   ARG  31          1HD       ARG  31  -0.970  -0.161  -3.680
  223   2HD   ARG  31          2HD       ARG  31  -2.555   0.165  -4.388
  224    HE   ARG  31           HE       ARG  31  -0.542   2.255  -3.835
  225   1HH1  ARG  31          1HH1      ARG  31  -2.957   0.784  -5.887
  226   2HH1  ARG  31          2HH1      ARG  31  -2.939   2.071  -7.058
  227   1HH2  ARG  31          1HH2      ARG  31  -0.469   3.951  -5.410
  228   2HH2  ARG  31          2HH2      ARG  31  -1.526   3.853  -6.797
  229    H    LYS  32           H        LYS  32  -6.349   2.009   0.186
  230    HA   LYS  32           HA       LYS  32  -8.180   3.167  -1.605
  231   1HB   LYS  32          1HB       LYS  32  -8.171   2.235   1.116
  232   2HB   LYS  32          2HB       LYS  32  -9.025   3.767   1.019
  233   1HG   LYS  32          1HG       LYS  32 -10.493   1.796   0.767
  234   2HG   LYS  32          2HG       LYS  32 -10.540   2.891  -0.618
  235   1HD   LYS  32          1HD       LYS  32  -9.536   1.398  -2.005
  236   2HD   LYS  32          2HD       LYS  32  -8.571   0.679  -0.713
  237   1HE   LYS  32          1HE       LYS  32  -9.999  -1.034  -0.822
  238   2HE   LYS  32          2HE       LYS  32 -11.143   0.025  -0.001
  239   1HZ   LYS  32          1HZ       LYS  32 -11.038   0.386  -2.861
  240   2HZ   LYS  32          2HZ       LYS  32 -12.380   0.238  -1.836
  241   3HZ   LYS  32          3HZ       LYS  32 -11.573  -1.150  -2.385
  242    H    ARG  33           H        ARG  33  -5.965   4.536   0.724
  243    HA   ARG  33           HA       ARG  33  -7.036   7.202   0.560
  244   1HB   ARG  33          1HB       ARG  33  -5.162   7.852   1.947
  245   2HB   ARG  33          2HB       ARG  33  -5.870   6.373   2.580
  246   1HG   ARG  33          1HG       ARG  33  -4.060   5.080   1.950
  247   2HG   ARG  33          2HG       ARG  33  -3.528   6.237   0.729
  248   1HD   ARG  33          1HD       ARG  33  -1.975   6.580   2.392
  249   2HD   ARG  33          2HD       ARG  33  -3.178   7.811   2.773
  250    HE   ARG  33           HE       ARG  33  -4.030   5.795   4.293
  251   1HH1  ARG  33          1HH1      ARG  33  -0.759   6.926   3.759
  252   2HH1  ARG  33          2HH1      ARG  33  -0.246   6.608   5.390
  253   1HH2  ARG  33          1HH2      ARG  33  -3.363   5.376   6.444
  254   2HH2  ARG  33          2HH2      ARG  33  -1.726   5.735   6.916
  255    H    HIS  34           H        HIS  34  -5.308   5.348  -1.550
  256    HA   HIS  34           HA       HIS  34  -3.798   7.609  -2.652
  257   1HB   HIS  34          1HB       HIS  34  -3.650   4.646  -3.258
  258   2HB   HIS  34          2HB       HIS  34  -2.692   5.881  -4.071
  259    HD1  HIS  34           HD1      HIS  34  -1.421   7.491  -1.982
  260    HD2  HIS  34           HD2      HIS  34  -2.132   3.428  -1.426
  261    HE1  HIS  34           HE1      HIS  34   0.164   6.722  -0.165
  262    H    MET  35           H        MET  35  -6.785   6.465  -2.853
  263    HA   MET  35           HA       MET  35  -7.027   6.671  -5.767
  264   1HB   MET  35          1HB       MET  35  -9.242   6.015  -3.832
  265   2HB   MET  35          2HB       MET  35  -9.201   5.727  -5.564
  266   1HG   MET  35          1HG       MET  35  -7.256   4.398  -3.718
  267   2HG   MET  35          2HG       MET  35  -8.869   3.741  -3.987
  268   1HE   MET  35          1HE       MET  35  -5.292   2.685  -6.202
  269   2HE   MET  35          2HE       MET  35  -5.293   4.426  -5.912
  270   3HE   MET  35          3HE       MET  35  -5.552   3.310  -4.572
  271    H    LEU  36           H        LEU  36  -6.466   8.893  -3.906
  272    HA   LEU  36           HA       LEU  36  -8.560  10.699  -4.849
  273   1HB   LEU  36          1HB       LEU  36  -7.677  11.566  -2.265
  274   2HB   LEU  36          2HB       LEU  36  -9.309  11.245  -2.817
  275    HG   LEU  36           HG       LEU  36  -7.766   8.834  -2.142
  276   1HD1  LEU  36          1HD1      LEU  36  -8.587   9.613   0.363
  277   2HD1  LEU  36          2HD1      LEU  36  -6.923   9.600  -0.223
  278   3HD1  LEU  36          3HD1      LEU  36  -7.873  11.083  -0.298
  279   1HD2  LEU  36          1HD2      LEU  36 -10.321   9.495  -0.831
  280   2HD2  LEU  36          2HD2      LEU  36 -10.364   9.395  -2.590
  281   3HD2  LEU  36          3HD2      LEU  36  -9.807   8.015  -1.641
  282    H    VAL  37           H        VAL  37  -6.702  10.995  -6.371
  283    HA   VAL  37           HA       VAL  37  -4.358  12.302  -5.272
  284    HB   VAL  37           HB       VAL  37  -5.034  11.878  -8.185
  285   1HG1  VAL  37          1HG1      VAL  37  -2.932  13.243  -6.897
  286   2HG1  VAL  37          2HG1      VAL  37  -2.249  11.755  -7.555
  287   3HG1  VAL  37          3HG1      VAL  37  -3.100  12.880  -8.614
  288   1HG2  VAL  37          1HG2      VAL  37  -4.227   9.966  -6.136
  289   2HG2  VAL  37          2HG2      VAL  37  -4.872   9.690  -7.754
  290   3HG2  VAL  37          3HG2      VAL  37  -3.148   9.990  -7.530
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1   9.959   2.004  -5.535
    2   2H    GLY   1          2H        GLY   1   9.751   3.564  -4.903
    3   3H    GLY   1          3H        GLY   1   9.626   2.212  -3.883
    4   1HA   GLY   1          1HA       GLY   1  11.946   1.696  -4.205
    5   2HA   GLY   1          2HA       GLY   1  12.086   3.065  -5.299
    6    H    SER   2           H        SER   2  10.433   2.772  -2.144
    7    HA   SER   2           HA       SER   2  11.690   5.232  -1.274
    8   1HB   SER   2          1HB       SER   2  10.182   3.586   0.678
    9   2HB   SER   2          2HB       SER   2  10.100   5.317   0.361
   10    HG   SER   2           HG       SER   2   8.300   3.717  -0.314
   11    H    THR   3           H        THR   3  11.991   1.793  -0.702
   12    HA   THR   3           HA       THR   3  13.546   0.534   0.381
   13    HB   THR   3           HB       THR   3  15.528   2.755   0.318
   14    HG1  THR   3           HG1      THR   3  14.103   1.744  -1.901
   15   1HG2  THR   3          1HG2      THR   3  16.720   0.864   0.676
   16   2HG2  THR   3          2HG2      THR   3  16.566   0.668  -1.069
   17   3HG2  THR   3          3HG2      THR   3  15.457  -0.173   0.013
   18    H    ARG   4           H        ARG   4  15.774   1.912   1.977
   19    HA   ARG   4           HA       ARG   4  16.242   2.394   4.134
   20   1HB   ARG   4          1HB       ARG   4  14.003   4.100   3.436
   21   2HB   ARG   4          2HB       ARG   4  13.993   3.704   5.149
   22   1HG   ARG   4          1HG       ARG   4  16.565   4.559   3.950
   23   2HG   ARG   4          2HG       ARG   4  15.314   5.780   4.186
   24   1HD   ARG   4          1HD       ARG   4  16.191   5.942   6.249
   25   2HD   ARG   4          2HD       ARG   4  15.231   4.497   6.569
   26    HE   ARG   4           HE       ARG   4  18.089   4.428   5.809
   27   1HH1  ARG   4          1HH1      ARG   4  15.367   3.224   7.668
   28   2HH1  ARG   4          2HH1      ARG   4  16.311   2.025   8.502
   29   1HH2  ARG   4          1HH2      ARG   4  19.333   2.864   6.920
   30   2HH2  ARG   4          2HH2      ARG   4  18.565   1.831   8.092
   31    H    GLY   5           H        GLY   5  15.622  -0.099   3.957
   32   1HA   GLY   5          1HA       GLY   5  15.212  -1.666   5.731
   33   2HA   GLY   5          2HA       GLY   5  13.937  -0.608   6.321
   34    H    SER   6           H        SER   6  12.357  -0.138   4.265
   35    HA   SER   6           HA       SER   6  11.170  -2.731   3.780
   36   1HB   SER   6          1HB       SER   6   9.728  -0.625   2.506
   37   2HB   SER   6          2HB       SER   6   9.282  -1.542   3.945
   38    HG   SER   6           HG       SER   6   9.824   0.979   3.866
   39    H    THR   7           H        THR   7  13.003  -3.362   2.358
   40    HA   THR   7           HA       THR   7  13.111  -2.118  -0.247
   41    HB   THR   7           HB       THR   7  14.514  -4.512  -0.395
   42    HG1  THR   7           HG1      THR   7  15.799  -4.097   1.699
   43   1HG2  THR   7          1HG2      THR   7  16.346  -2.608   0.479
   44   2HG2  THR   7          2HG2      THR   7  15.054  -1.671  -0.268
   45   3HG2  THR   7          3HG2      THR   7  15.874  -2.930  -1.190
   46    H    GLY   8           H        GLY   8  10.770  -2.552  -0.562
   47   1HA   GLY   8          1HA       GLY   8   9.046  -3.683  -1.550
   48   2HA   GLY   8          2HA       GLY   8  10.310  -4.361  -2.561
   49    H    ILE   9           H        ILE   9   9.389  -4.796   0.846
   50    HA   ILE   9           HA       ILE   9   9.833  -7.641   0.663
   51    HB   ILE   9           HB       ILE   9   8.413  -6.316   2.947
   52   1HG1  ILE   9          1HG1      ILE   9  11.397  -6.406   2.930
   53   2HG1  ILE   9          2HG1      ILE   9  10.591  -5.089   2.083
   54   1HG2  ILE   9          1HG2      ILE   9   8.570  -8.504   3.522
   55   2HG2  ILE   9          2HG2      ILE   9   9.970  -8.784   2.486
   56   3HG2  ILE   9          3HG2      ILE   9  10.177  -8.004   4.054
   57   1HD1  ILE   9          1HD1      ILE   9  11.300  -4.749   4.527
   58   2HD1  ILE   9          2HD1      ILE   9   9.693  -4.219   4.029
   59   3HD1  ILE   9          3HD1      ILE   9   9.887  -5.732   4.914
   60    H    LYS  10           H        LYS  10   8.137  -9.212   1.236
   61    HA   LYS  10           HA       LYS  10   6.140 -10.223   0.959
   62   1HB   LYS  10          1HB       LYS  10   5.448  -7.535   1.923
   63   2HB   LYS  10          2HB       LYS  10   4.140  -8.378   1.098
   64   1HG   LYS  10          1HG       LYS  10   3.786  -9.698   2.849
   65   2HG   LYS  10          2HG       LYS  10   5.495 -10.128   2.949
   66   1HD   LYS  10          1HD       LYS  10   5.567  -7.610   3.915
   67   2HD   LYS  10          2HD       LYS  10   3.956  -8.104   4.437
   68   1HE   LYS  10          1HE       LYS  10   4.937 -10.102   5.492
   69   2HE   LYS  10          2HE       LYS  10   6.540  -9.546   5.014
   70   1HZ   LYS  10          1HZ       LYS  10   4.694  -8.017   6.766
   71   2HZ   LYS  10          2HZ       LYS  10   6.297  -7.619   6.394
   72   3HZ   LYS  10          3HZ       LYS  10   5.963  -8.989   7.331
   73    HA   PRO  11           HA       PRO  11   5.302 -10.230  -3.295
   74   1HB   PRO  11          1HB       PRO  11   2.719 -11.208  -3.323
   75   2HB   PRO  11          2HB       PRO  11   4.170 -12.194  -3.130
   76   1HG   PRO  11          1HG       PRO  11   2.318 -11.122  -1.045
   77   2HG   PRO  11          2HG       PRO  11   3.059 -12.729  -1.161
   78   1HD   PRO  11          1HD       PRO  11   4.030 -10.893   0.511
   79   2HD   PRO  11          2HD       PRO  11   5.122 -11.962  -0.398
   80    H    PHE  12           H        PHE  12   3.161  -8.458  -1.206
   81    HA   PHE  12           HA       PHE  12   2.378  -6.798  -3.499
   82   1HB   PHE  12          1HB       PHE  12   0.614  -7.699  -1.214
   83   2HB   PHE  12          2HB       PHE  12   0.162  -6.475  -2.398
   84    HD1  PHE  12           HD1      PHE  12   0.097  -9.905  -1.610
   85    HD2  PHE  12           HD2      PHE  12   0.271  -7.204  -4.891
   86    HE1  PHE  12           HE1      PHE  12  -0.732 -11.673  -3.103
   87    HE2  PHE  12           HE2      PHE  12  -0.559  -8.970  -6.393
   88    HZ   PHE  12           HZ       PHE  12  -1.058 -11.209  -5.498
   89    H    GLN  13           H        GLN  13   3.961  -5.293  -2.993
   90    HA   GLN  13           HA       GLN  13   3.704  -3.903  -0.431
   91   1HB   GLN  13          1HB       GLN  13   5.880  -3.040  -0.835
   92   2HB   GLN  13          2HB       GLN  13   5.928  -4.740  -1.288
   93   1HG   GLN  13          1HG       GLN  13   5.204  -3.380  -3.600
   94   2HG   GLN  13          2HG       GLN  13   6.485  -2.419  -2.867
   95   1HE2  GLN  13          1HE2      GLN  13   6.085  -5.930  -2.705
   96   2HE2  GLN  13          2HE2      GLN  13   7.545  -6.309  -3.543
   97    H    CYS  14           H        CYS  14   3.474  -1.570  -0.436
   98    HA   CYS  14           HA       CYS  14   1.710  -0.624  -2.456
   99   1HB   CYS  14          1HB       CYS  14   1.463   0.298  -0.225
  100   2HB   CYS  14          2HB       CYS  14   3.121   0.901  -0.247
  101    HA   PRO  15           HA       PRO  15   4.931   0.721  -5.204
  102   1HB   PRO  15          1HB       PRO  15   3.364   1.731  -7.146
  103   2HB   PRO  15          2HB       PRO  15   3.528  -0.009  -6.879
  104   1HG   PRO  15          1HG       PRO  15   1.322   1.834  -6.068
  105   2HG   PRO  15          2HG       PRO  15   1.229   0.176  -6.687
  106   1HD   PRO  15          1HD       PRO  15   1.031   0.862  -4.026
  107   2HD   PRO  15          2HD       PRO  15   1.532  -0.735  -4.613
  108    H    ASP  16           H        ASP  16   3.044   2.614  -3.264
  109    HA   ASP  16           HA       ASP  16   4.231   5.091  -4.340
  110   1HB   ASP  16          1HB       ASP  16   1.706   4.975  -4.195
  111   2HB   ASP  16          2HB       ASP  16   1.891   4.941  -2.443
  112    H    CYS  17           H        CYS  17   3.577   3.255  -1.407
  113    HA   CYS  17           HA       CYS  17   5.323   5.058   0.110
  114   1HB   CYS  17          1HB       CYS  17   3.581   2.834   1.174
  115   2HB   CYS  17          2HB       CYS  17   4.383   4.091   2.108
  116    H    ASP  18           H        ASP  18   5.040   1.782  -0.983
  117    HA   ASP  18           HA       ASP  18   6.532   0.064  -1.097
  118   1HB   ASP  18          1HB       ASP  18   8.318   2.214  -0.354
  119   2HB   ASP  18          2HB       ASP  18   8.749   0.727   0.487
  120    H    ARG  19           H        ARG  19   4.514   0.072   0.570
  121    HA   ARG  19           HA       ARG  19   5.306  -0.659   3.252
  122   1HB   ARG  19          1HB       ARG  19   2.648  -1.172   1.919
  123   2HB   ARG  19          2HB       ARG  19   2.984  -1.106   3.642
  124   1HG   ARG  19          1HG       ARG  19   3.778   1.371   2.531
  125   2HG   ARG  19          2HG       ARG  19   2.176   0.985   1.896
  126   1HD   ARG  19          1HD       ARG  19   2.810   0.737   4.817
  127   2HD   ARG  19          2HD       ARG  19   2.330   2.278   4.107
  128    HE   ARG  19           HE       ARG  19   0.328   0.782   3.271
  129   1HH1  ARG  19          1HH1      ARG  19   1.869   0.919   6.425
  130   2HH1  ARG  19          2HH1      ARG  19   0.471   0.333   7.278
  131   1HH2  ARG  19          1HH2      ARG  19  -1.531   0.048   4.425
  132   2HH2  ARG  19          2HH2      ARG  19  -1.457  -0.158   6.150
  133    H    SER  20           H        SER  20   3.512  -2.989   3.438
  134    HA   SER  20           HA       SER  20   4.406  -4.872   1.485
  135   1HB   SER  20          1HB       SER  20   5.432  -6.284   3.528
  136   2HB   SER  20          2HB       SER  20   6.407  -5.252   2.482
  137    HG   SER  20           HG       SER  20   5.776  -3.551   4.133
  138    H    PHE  21           H        PHE  21   2.805  -6.177   1.191
  139    HA   PHE  21           HA       PHE  21   1.292  -7.220   3.477
  140   1HB   PHE  21          1HB       PHE  21  -0.059  -6.401   0.899
  141   2HB   PHE  21          2HB       PHE  21  -0.817  -6.852   2.420
  142    HD1  PHE  21           HD1      PHE  21   1.160  -4.217   0.739
  143    HD2  PHE  21           HD2      PHE  21  -1.297  -5.240   4.063
  144    HE1  PHE  21           HE1      PHE  21   0.995  -1.842   1.344
  145    HE2  PHE  21           HE2      PHE  21  -1.451  -2.863   4.681
  146    HZ   PHE  21           HZ       PHE  21  -0.302  -1.162   3.319
  147    H    SER  22           H        SER  22   0.409  -9.306   3.122
  148    HA   SER  22           HA       SER  22   1.759 -10.808   1.019
  149   1HB   SER  22          1HB       SER  22   0.045 -12.330   2.817
  150   2HB   SER  22          2HB       SER  22   1.774 -12.479   2.521
  151    HG   SER  22           HG       SER  22   2.142 -11.451   4.305
  152    H    ARG  23           H        ARG  23  -1.220  -9.373   1.713
  153    HA   ARG  23           HA       ARG  23  -2.591 -10.939  -0.390
  154   1HB   ARG  23          1HB       ARG  23  -3.799  -9.400   1.919
  155   2HB   ARG  23          2HB       ARG  23  -4.706 -10.192   0.647
  156   1HG   ARG  23          1HG       ARG  23  -3.091 -12.198   1.645
  157   2HG   ARG  23          2HG       ARG  23  -3.588 -11.283   3.075
  158   1HD   ARG  23          1HD       ARG  23  -5.394 -12.442   0.970
  159   2HD   ARG  23          2HD       ARG  23  -5.185 -13.047   2.612
  160    HE   ARG  23           HE       ARG  23  -6.169 -10.306   2.227
  161   1HH1  ARG  23          1HH1      ARG  23  -6.775 -13.617   3.213
  162   2HH1  ARG  23          2HH1      ARG  23  -8.271 -13.231   4.006
  163   1HH2  ARG  23          1HH2      ARG  23  -8.126  -9.799   3.238
  164   2HH2  ARG  23          2HH2      ARG  23  -9.076 -11.061   3.973
  165    H    SER  24           H        SER  24  -3.346  -9.957  -2.065
  166    HA   SER  24           HA       SER  24  -2.572  -7.308  -2.697
  167   1HB   SER  24          1HB       SER  24  -4.517  -7.927  -4.483
  168   2HB   SER  24          2HB       SER  24  -2.849  -8.464  -4.630
  169    HG   SER  24           HG       SER  24  -5.060  -9.930  -4.318
  170    H    ASP  25           H        ASP  25  -5.396  -8.813  -1.324
  171    HA   ASP  25           HA       ASP  25  -7.235  -6.705  -1.537
  172   1HB   ASP  25          1HB       ASP  25  -8.486  -8.339  -0.685
  173   2HB   ASP  25          2HB       ASP  25  -7.058  -9.282  -0.341
  174    H    HIS  26           H        HIS  26  -4.807  -7.503   0.912
  175    HA   HIS  26           HA       HIS  26  -5.497  -5.425   2.711
  176   1HB   HIS  26          1HB       HIS  26  -3.324  -7.395   2.447
  177   2HB   HIS  26          2HB       HIS  26  -2.867  -5.899   3.256
  178    HD1  HIS  26           HD1      HIS  26  -2.672  -6.952   5.586
  179    HD2  HIS  26           HD2      HIS  26  -6.395  -7.504   3.813
  180    HE1  HIS  26           HE1      HIS  26  -4.172  -7.818   7.412
  181    HE2  HIS  26           HE2      HIS  26  -6.385  -8.264   6.286
  182    H    LEU  27           H        LEU  27  -3.247  -5.678   0.026
  183    HA   LEU  27           HA       LEU  27  -1.932  -3.205   0.234
  184   1HB   LEU  27          1HB       LEU  27  -1.505  -5.097  -1.442
  185   2HB   LEU  27          2HB       LEU  27  -2.857  -4.457  -2.355
  186    HG   LEU  27           HG       LEU  27  -1.669  -2.738  -3.180
  187   1HD1  LEU  27          1HD1      LEU  27  -1.434  -1.651  -0.988
  188   2HD1  LEU  27          2HD1      LEU  27   0.032  -2.593  -0.703
  189   3HD1  LEU  27          3HD1      LEU  27  -0.024  -1.422  -2.022
  190   1HD2  LEU  27          1HD2      LEU  27   0.654  -4.423  -2.289
  191   2HD2  LEU  27          2HD2      LEU  27  -0.349  -4.727  -3.707
  192   3HD2  LEU  27          3HD2      LEU  27   0.630  -3.263  -3.619
  193    H    ALA  28           H        ALA  28  -4.750  -4.075  -1.731
  194    HA   ALA  28           HA       ALA  28  -5.437  -1.553  -2.608
  195   1HB   ALA  28          1HB       ALA  28  -7.609  -3.506  -2.033
  196   2HB   ALA  28          2HB       ALA  28  -7.340  -2.503  -3.459
  197   3HB   ALA  28          3HB       ALA  28  -6.354  -3.942  -3.192
  198    H    LEU  29           H        LEU  29  -6.345  -3.146   0.423
  199    HA   LEU  29           HA       LEU  29  -8.301  -1.359   1.309
  200   1HB   LEU  29          1HB       LEU  29  -6.272  -2.968   2.833
  201   2HB   LEU  29          2HB       LEU  29  -7.522  -2.022   3.615
  202    HG   LEU  29           HG       LEU  29  -8.175  -4.171   1.618
  203   1HD1  LEU  29          1HD1      LEU  29  -6.983  -5.352   3.267
  204   2HD1  LEU  29          2HD1      LEU  29  -7.688  -4.398   4.573
  205   3HD1  LEU  29          3HD1      LEU  29  -8.688  -5.546   3.682
  206   1HD2  LEU  29          1HD2      LEU  29  -9.744  -2.825   3.808
  207   2HD2  LEU  29          2HD2      LEU  29  -9.935  -2.573   2.074
  208   3HD2  LEU  29          3HD2      LEU  29 -10.331  -4.138   2.787
  209    H    HIS  30           H        HIS  30  -4.795  -1.283   1.732
  210    HA   HIS  30           HA       HIS  30  -4.765   1.199   3.152
  211   1HB   HIS  30          1HB       HIS  30  -2.840  -0.037   3.561
  212   2HB   HIS  30          2HB       HIS  30  -2.708  -0.583   1.893
  213    HD1  HIS  30           HD1      HIS  30  -2.139   2.584   3.950
  214    HD2  HIS  30           HD2      HIS  30  -0.918   0.795   0.390
  215    HE1  HIS  30           HE1      HIS  30  -0.310   4.048   2.998
  216    H    ARG  31           H        ARG  31  -4.475   0.220  -0.212
  217    HA   ARG  31           HA       ARG  31  -3.543   2.751  -1.097
  218   1HB   ARG  31          1HB       ARG  31  -4.573   0.326  -2.556
  219   2HB   ARG  31          2HB       ARG  31  -4.089   1.798  -3.394
  220   1HG   ARG  31          1HG       ARG  31  -1.890   1.492  -2.002
  221   2HG   ARG  31          2HG       ARG  31  -2.426  -0.187  -1.924
  222   1HD   ARG  31          1HD       ARG  31  -0.960   0.049  -3.800
  223   2HD   ARG  31          2HD       ARG  31  -2.604  -0.177  -4.406
  224    HE   ARG  31           HE       ARG  31  -1.105   2.356  -4.385
  225   1HH1  ARG  31          1HH1      ARG  31  -3.720   0.367  -5.619
  226   2HH1  ARG  31          2HH1      ARG  31  -4.195   1.534  -6.822
  227   1HH2  ARG  31          1HH2      ARG  31  -1.703   3.862  -5.968
  228   2HH2  ARG  31          2HH2      ARG  31  -3.042   3.523  -7.032
  229    H    LYS  32           H        LYS  32  -6.513   1.876  -0.026
  230    HA   LYS  32           HA       LYS  32  -8.242   3.197  -1.853
  231   1HB   LYS  32          1HB       LYS  32  -8.461   1.908   0.707
  232   2HB   LYS  32          2HB       LYS  32  -9.319   3.443   0.734
  233   1HG   LYS  32          1HG       LYS  32 -10.908   1.869   0.056
  234   2HG   LYS  32          2HG       LYS  32 -10.416   2.686  -1.430
  235   1HD   LYS  32          1HD       LYS  32 -10.154   0.591  -2.212
  236   2HD   LYS  32          2HD       LYS  32  -8.616   0.660  -1.337
  237   1HE   LYS  32          1HE       LYS  32  -9.312  -0.762   0.262
  238   2HE   LYS  32          2HE       LYS  32 -10.955  -0.127   0.265
  239   1HZ   LYS  32          1HZ       LYS  32 -10.287  -1.529  -2.150
  240   2HZ   LYS  32          2HZ       LYS  32 -11.636  -1.704  -1.134
  241   3HZ   LYS  32          3HZ       LYS  32 -10.186  -2.511  -0.772
  242    H    ARG  33           H        ARG  33  -6.128   4.198   0.700
  243    HA   ARG  33           HA       ARG  33  -7.152   6.881   0.880
  244   1HB   ARG  33          1HB       ARG  33  -4.619   5.605   1.909
  245   2HB   ARG  33          2HB       ARG  33  -5.051   7.283   2.199
  246   1HG   ARG  33          1HG       ARG  33  -6.544   6.760   3.782
  247   2HG   ARG  33          2HG       ARG  33  -7.121   5.334   2.915
  248   1HD   ARG  33          1HD       ARG  33  -6.099   4.386   4.755
  249   2HD   ARG  33          2HD       ARG  33  -4.807   4.337   3.555
  250    HE   ARG  33           HE       ARG  33  -3.810   6.250   4.641
  251   1HH1  ARG  33          1HH1      ARG  33  -6.424   4.707   6.407
  252   2HH1  ARG  33          2HH1      ARG  33  -5.879   5.286   7.952
  253   1HH2  ARG  33          1HH2      ARG  33  -3.117   7.026   6.689
  254   2HH2  ARG  33          2HH2      ARG  33  -4.021   6.587   8.111
  255    H    HIS  34           H        HIS  34  -5.415   5.242  -1.409
  256    HA   HIS  34           HA       HIS  34  -3.899   7.605  -2.252
  257   1HB   HIS  34          1HB       HIS  34  -3.854   4.721  -3.151
  258   2HB   HIS  34          2HB       HIS  34  -3.011   6.000  -4.021
  259    HD1  HIS  34           HD1      HIS  34  -1.559   7.545  -1.981
  260    HD2  HIS  34           HD2      HIS  34  -2.072   3.431  -1.617
  261    HE1  HIS  34           HE1      HIS  34   0.253   6.729  -0.411
  262    H    MET  35           H        MET  35  -6.857   6.171  -2.603
  263    HA   MET  35           HA       MET  35  -7.324   7.096  -5.333
  264   1HB   MET  35          1HB       MET  35  -8.978   5.584  -3.329
  265   2HB   MET  35          2HB       MET  35  -9.728   6.333  -4.732
  266   1HG   MET  35          1HG       MET  35  -7.928   5.046  -6.072
  267   2HG   MET  35          2HG       MET  35  -7.786   4.070  -4.612
  268   1HE   MET  35          1HE       MET  35  -9.419   1.777  -4.441
  269   2HE   MET  35          2HE       MET  35  -9.811   1.405  -6.120
  270   3HE   MET  35          3HE       MET  35  -8.220   2.045  -5.706
  271    H    LEU  36           H        LEU  36  -8.644   7.628  -2.087
  272    HA   LEU  36           HA       LEU  36  -9.052  10.445  -2.802
  273   1HB   LEU  36          1HB       LEU  36 -10.838   8.790  -1.010
  274   2HB   LEU  36          2HB       LEU  36 -11.004  10.510  -1.310
  275    HG   LEU  36           HG       LEU  36 -11.172   8.498  -3.536
  276   1HD1  LEU  36          1HD1      LEU  36 -13.159   9.151  -1.453
  277   2HD1  LEU  36          2HD1      LEU  36 -13.746   9.143  -3.117
  278   3HD1  LEU  36          3HD1      LEU  36 -12.982   7.704  -2.445
  279   1HD2  LEU  36          1HD2      LEU  36 -10.797  10.895  -4.067
  280   2HD2  LEU  36          2HD2      LEU  36 -12.317  10.265  -4.698
  281   3HD2  LEU  36          3HD2      LEU  36 -12.315  11.276  -3.253
  282    H    VAL  37           H        VAL  37  -7.119  11.049  -1.889
  283    HA   VAL  37           HA       VAL  37  -6.319  10.105   0.678
  284    HB   VAL  37           HB       VAL  37  -4.760  10.812  -1.197
  285   1HG1  VAL  37          1HG1      VAL  37  -5.875  13.451  -0.457
  286   2HG1  VAL  37          2HG1      VAL  37  -4.146  13.369  -0.794
  287   3HG1  VAL  37          3HG1      VAL  37  -5.309  12.852  -2.016
  288   1HG2  VAL  37          1HG2      VAL  37  -3.289  12.158   0.596
  289   2HG2  VAL  37          2HG2      VAL  37  -4.499  11.452   1.668
  290   3HG2  VAL  37          3HG2      VAL  37  -3.518  10.410   0.639
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1   4.975   6.889  -0.452
    2   2H    GLY   1          2H        GLY   1   3.557   7.624   0.120
    3   3H    GLY   1          3H        GLY   1   3.963   6.059   0.627
    4   1HA   GLY   1          1HA       GLY   1   5.839   8.260   1.143
    5   2HA   GLY   1          2HA       GLY   1   4.422   8.082   2.171
    6    H    SER   2           H        SER   2   5.314   7.367   4.018
    7    HA   SER   2           HA       SER   2   6.399   6.051   5.507
    8   1HB   SER   2          1HB       SER   2   5.430   3.941   3.572
    9   2HB   SER   2          2HB       SER   2   5.999   3.619   5.210
   10    HG   SER   2           HG       SER   2   4.197   5.560   5.366
   11    H    THR   3           H        THR   3   7.307   3.418   3.583
   12    HA   THR   3           HA       THR   3   9.301   2.535   2.993
   13    HB   THR   3           HB       THR   3  10.526   5.234   2.568
   14    HG1  THR   3           HG1      THR   3   8.159   4.323   1.470
   15   1HG2  THR   3          1HG2      THR   3  10.524   2.643   1.015
   16   2HG2  THR   3          2HG2      THR   3  11.838   3.270   2.009
   17   3HG2  THR   3          3HG2      THR   3  11.373   4.112   0.529
   18    H    ARG   4           H        ARG   4   8.760   3.660   5.764
   19    HA   ARG   4           HA       ARG   4  11.505   3.942   6.753
   20   1HB   ARG   4          1HB       ARG   4   8.916   4.175   8.302
   21   2HB   ARG   4          2HB       ARG   4  10.523   4.605   8.873
   22   1HG   ARG   4          1HG       ARG   4   9.233   5.946   6.515
   23   2HG   ARG   4          2HG       ARG   4   9.016   6.510   8.173
   24   1HD   ARG   4          1HD       ARG   4  11.599   6.487   8.266
   25   2HD   ARG   4          2HD       ARG   4  11.503   6.444   6.506
   26    HE   ARG   4           HE       ARG   4   9.928   8.525   7.041
   27   1HH1  ARG   4          1HH1      ARG   4  13.078   7.668   8.325
   28   2HH1  ARG   4          2HH1      ARG   4  13.568   9.316   8.571
   29   1HH2  ARG   4          1HH2      ARG   4  10.570  10.707   7.389
   30   2HH2  ARG   4          2HH2      ARG   4  12.142  11.037   8.070
   31    H    GLY   5           H        GLY   5  12.287   1.870   6.598
   32   1HA   GLY   5          1HA       GLY   5  12.717  -0.168   7.751
   33   2HA   GLY   5          2HA       GLY   5  11.105  -0.082   8.452
   34    H    SER   6           H        SER   6   9.676   0.480   6.106
   35    HA   SER   6           HA       SER   6   9.262  -2.092   5.026
   36   1HB   SER   6          1HB       SER   6   8.268   0.077   3.362
   37   2HB   SER   6          2HB       SER   6   7.365  -1.120   4.293
   38    HG   SER   6           HG       SER   6   7.122   0.266   5.866
   39    H    THR   7           H        THR   7  10.907  -3.006   3.910
   40    HA   THR   7           HA       THR   7  12.064  -1.464   1.688
   41    HB   THR   7           HB       THR   7  13.912  -3.426   2.213
   42    HG1  THR   7           HG1      THR   7  12.887  -2.463   4.707
   43   1HG2  THR   7          1HG2      THR   7  14.401  -1.074   1.776
   44   2HG2  THR   7          2HG2      THR   7  15.238  -1.616   3.232
   45   3HG2  THR   7          3HG2      THR   7  13.776  -0.639   3.367
   46    H    GLY   8           H        GLY   8  10.203  -2.356   0.500
   47   1HA   GLY   8          1HA       GLY   8   9.240  -3.837  -0.953
   48   2HA   GLY   8          2HA       GLY   8  10.896  -4.288  -1.303
   49    H    ILE   9           H        ILE   9   9.175  -4.786   1.697
   50    HA   ILE   9           HA       ILE   9   9.731  -7.631   1.657
   51    HB   ILE   9           HB       ILE   9   7.904  -6.350   3.645
   52   1HG1  ILE   9          1HG1      ILE   9  10.811  -6.231   4.230
   53   2HG1  ILE   9          2HG1      ILE   9  10.175  -5.034   3.106
   54   1HG2  ILE   9          1HG2      ILE   9   8.243  -8.233   4.785
   55   2HG2  ILE   9          2HG2      ILE   9   9.132  -8.848   3.391
   56   3HG2  ILE   9          3HG2      ILE   9   9.994  -8.032   4.696
   57   1HD1  ILE   9          1HD1      ILE   9  10.163  -4.096   5.294
   58   2HD1  ILE   9          2HD1      ILE   9   8.492  -4.416   4.832
   59   3HD1  ILE   9          3HD1      ILE   9   9.321  -5.499   5.949
   60    H    LYS  10           H        LYS  10   7.910  -9.204   1.990
   61    HA   LYS  10           HA       LYS  10   5.962 -10.168   1.434
   62   1HB   LYS  10          1HB       LYS  10   5.214  -7.428   2.194
   63   2HB   LYS  10          2HB       LYS  10   4.013  -8.281   1.232
   64   1HG   LYS  10          1HG       LYS  10   3.430  -9.590   2.936
   65   2HG   LYS  10          2HG       LYS  10   5.107  -9.931   3.360
   66   1HD   LYS  10          1HD       LYS  10   4.185  -7.211   3.992
   67   2HD   LYS  10          2HD       LYS  10   3.390  -8.501   4.899
   68   1HE   LYS  10          1HE       LYS  10   6.015  -9.249   5.016
   69   2HE   LYS  10          2HE       LYS  10   6.133  -7.491   5.061
   70   1HZ   LYS  10          1HZ       LYS  10   4.703  -9.275   6.945
   71   2HZ   LYS  10          2HZ       LYS  10   4.409  -7.604   6.889
   72   3HZ   LYS  10          3HZ       LYS  10   5.956  -8.180   7.282
   73    HA   PRO  11           HA       PRO  11   5.717 -10.270  -2.886
   74   1HB   PRO  11          1HB       PRO  11   3.070 -11.137  -3.140
   75   2HB   PRO  11          2HB       PRO  11   4.492 -12.163  -2.996
   76   1HG   PRO  11          1HG       PRO  11   2.412 -11.534  -1.057
   77   2HG   PRO  11          2HG       PRO  11   3.600 -12.837  -1.045
   78   1HD   PRO  11          1HD       PRO  11   3.614 -10.561   0.543
   79   2HD   PRO  11          2HD       PRO  11   4.948 -11.691   0.339
   80    H    PHE  12           H        PHE  12   3.110  -8.641  -1.224
   81    HA   PHE  12           HA       PHE  12   2.588  -7.037  -3.640
   82   1HB   PHE  12          1HB       PHE  12   0.687  -7.694  -1.385
   83   2HB   PHE  12          2HB       PHE  12   0.301  -6.742  -2.816
   84    HD1  PHE  12           HD1      PHE  12   0.679  -7.934  -5.098
   85    HD2  PHE  12           HD2      PHE  12   0.230  -9.955  -1.384
   86    HE1  PHE  12           HE1      PHE  12   0.031  -9.980  -6.296
   87    HE2  PHE  12           HE2      PHE  12  -0.422 -12.007  -2.575
   88    HZ   PHE  12           HZ       PHE  12  -0.516 -12.021  -5.037
   89    H    GLN  13           H        GLN  13   4.057  -5.434  -3.148
   90    HA   GLN  13           HA       GLN  13   3.846  -4.035  -0.612
   91   1HB   GLN  13          1HB       GLN  13   5.544  -3.433  -3.026
   92   2HB   GLN  13          2HB       GLN  13   5.664  -2.654  -1.455
   93   1HG   GLN  13          1HG       GLN  13   7.186  -4.128  -0.966
   94   2HG   GLN  13          2HG       GLN  13   5.881  -5.309  -0.868
   95   1HE2  GLN  13          1HE2      GLN  13   8.596  -4.200  -2.695
   96   2HE2  GLN  13          2HE2      GLN  13   8.579  -5.456  -3.883
   97    H    CYS  14           H        CYS  14   3.758  -1.660  -0.648
   98    HA   CYS  14           HA       CYS  14   1.632  -0.694  -2.406
   99   1HB   CYS  14          1HB       CYS  14   1.699   0.147  -0.070
  100   2HB   CYS  14          2HB       CYS  14   3.245   0.922  -0.425
  101    HA   PRO  15           HA       PRO  15   4.716   0.477  -5.395
  102   1HB   PRO  15          1HB       PRO  15   3.051   1.763  -7.111
  103   2HB   PRO  15          2HB       PRO  15   3.170   0.005  -7.018
  104   1HG   PRO  15          1HG       PRO  15   1.117   1.834  -5.856
  105   2HG   PRO  15          2HG       PRO  15   0.905   0.244  -6.609
  106   1HD   PRO  15          1HD       PRO  15   0.911   0.646  -3.911
  107   2HD   PRO  15          2HD       PRO  15   1.414  -0.875  -4.675
  108    H    ASP  16           H        ASP  16   2.848   2.552  -3.426
  109    HA   ASP  16           HA       ASP  16   4.319   4.910  -4.406
  110   1HB   ASP  16          1HB       ASP  16   1.792   4.987  -4.339
  111   2HB   ASP  16          2HB       ASP  16   1.915   4.927  -2.584
  112    H    CYS  17           H        CYS  17   3.655   2.948  -1.577
  113    HA   CYS  17           HA       CYS  17   5.281   4.747   0.051
  114   1HB   CYS  17          1HB       CYS  17   3.530   2.431   0.877
  115   2HB   CYS  17          2HB       CYS  17   4.423   3.465   1.985
  116    H    ASP  18           H        ASP  18   5.241   1.549  -1.236
  117    HA   ASP  18           HA       ASP  18   6.776  -0.133  -1.299
  118   1HB   ASP  18          1HB       ASP  18   8.524   1.906  -0.985
  119   2HB   ASP  18          2HB       ASP  18   8.751   1.071   0.550
  120    H    ARG  19           H        ARG  19   4.727   0.572   0.640
  121    HA   ARG  19           HA       ARG  19   5.365  -0.664   3.143
  122   1HB   ARG  19          1HB       ARG  19   2.942   0.330   1.769
  123   2HB   ARG  19          2HB       ARG  19   2.681  -1.019   2.866
  124   1HG   ARG  19          1HG       ARG  19   3.379   0.185   4.718
  125   2HG   ARG  19          2HG       ARG  19   4.219   1.384   3.739
  126   1HD   ARG  19          1HD       ARG  19   2.241   2.408   4.569
  127   2HD   ARG  19          2HD       ARG  19   1.998   2.099   2.850
  128    HE   ARG  19           HE       ARG  19   0.294   0.676   3.373
  129   1HH1  ARG  19          1HH1      ARG  19   2.140   1.392   6.275
  130   2HH1  ARG  19          2HH1      ARG  19   1.095   0.478   7.326
  131   1HH2  ARG  19          1HH2      ARG  19  -1.092  -0.527   4.776
  132   2HH2  ARG  19          2HH2      ARG  19  -0.734  -0.620   6.474
  133    H    SER  20           H        SER  20   3.992  -2.773   3.684
  134    HA   SER  20           HA       SER  20   4.322  -4.565   1.370
  135   1HB   SER  20          1HB       SER  20   5.252  -6.101   3.423
  136   2HB   SER  20          2HB       SER  20   6.262  -5.188   2.297
  137    HG   SER  20           HG       SER  20   5.387  -3.587   4.288
  138    H    PHE  21           H        PHE  21   2.748  -5.908   1.034
  139    HA   PHE  21           HA       PHE  21   1.079  -6.766   3.304
  140   1HB   PHE  21          1HB       PHE  21  -0.087  -6.206   0.578
  141   2HB   PHE  21          2HB       PHE  21  -0.929  -6.402   2.113
  142    HD1  PHE  21           HD1      PHE  21  -1.289  -4.566   3.558
  143    HD2  PHE  21           HD2      PHE  21   1.233  -4.147   0.158
  144    HE1  PHE  21           HE1      PHE  21  -1.251  -2.130   3.885
  145    HE2  PHE  21           HE2      PHE  21   1.271  -1.714   0.480
  146    HZ   PHE  21           HZ       PHE  21   0.035  -0.709   2.338
  147    H    SER  22           H        SER  22   0.450  -8.874   3.279
  148    HA   SER  22           HA       SER  22   1.876 -10.615   1.470
  149   1HB   SER  22          1HB       SER  22  -0.009 -11.997   3.142
  150   2HB   SER  22          2HB       SER  22   1.754 -12.000   3.233
  151    HG   SER  22           HG       SER  22   0.927 -11.190   5.162
  152    H    ARG  23           H        ARG  23  -1.228  -9.214   1.756
  153    HA   ARG  23           HA       ARG  23  -2.252 -10.909  -0.435
  154   1HB   ARG  23          1HB       ARG  23  -3.924  -9.545   1.681
  155   2HB   ARG  23          2HB       ARG  23  -4.478 -10.672   0.449
  156   1HG   ARG  23          1HG       ARG  23  -3.239 -12.471   1.503
  157   2HG   ARG  23          2HG       ARG  23  -2.609 -11.350   2.712
  158   1HD   ARG  23          1HD       ARG  23  -4.736 -12.877   3.163
  159   2HD   ARG  23          2HD       ARG  23  -4.569 -11.265   3.856
  160    HE   ARG  23           HE       ARG  23  -6.221 -10.486   2.419
  161   1HH1  ARG  23          1HH1      ARG  23  -5.397 -13.805   1.648
  162   2HH1  ARG  23          2HH1      ARG  23  -6.822 -14.067   0.686
  163   1HH2  ARG  23          1HH2      ARG  23  -8.080 -10.826   1.172
  164   2HH2  ARG  23          2HH2      ARG  23  -8.353 -12.367   0.412
  165    H    SER  24           H        SER  24  -2.950  -9.989  -2.151
  166    HA   SER  24           HA       SER  24  -2.393  -7.303  -2.737
  167   1HB   SER  24          1HB       SER  24  -4.199  -8.156  -4.628
  168   2HB   SER  24          2HB       SER  24  -2.457  -8.420  -4.689
  169    HG   SER  24           HG       SER  24  -4.450 -10.215  -4.401
  170    H    ASP  25           H        ASP  25  -5.138  -8.939  -1.445
  171    HA   ASP  25           HA       ASP  25  -7.122  -6.967  -1.865
  172   1HB   ASP  25          1HB       ASP  25  -8.248  -8.752  -1.106
  173   2HB   ASP  25          2HB       ASP  25  -6.802  -9.465  -0.431
  174    H    HIS  26           H        HIS  26  -4.914  -7.656   0.778
  175    HA   HIS  26           HA       HIS  26  -5.659  -5.535   2.469
  176   1HB   HIS  26          1HB       HIS  26  -3.554  -7.531   2.368
  177   2HB   HIS  26          2HB       HIS  26  -2.958  -5.983   2.967
  178    HD1  HIS  26           HD1      HIS  26  -2.863  -6.283   5.437
  179    HD2  HIS  26           HD2      HIS  26  -6.404  -7.704   3.793
  180    HE1  HIS  26           HE1      HIS  26  -4.319  -6.884   7.394
  181    HE2  HIS  26           HE2      HIS  26  -6.541  -7.474   6.372
  182    H    LEU  27           H        LEU  27  -3.438  -5.735  -0.228
  183    HA   LEU  27           HA       LEU  27  -2.080  -3.294   0.024
  184   1HB   LEU  27          1HB       LEU  27  -1.662  -5.136  -1.666
  185   2HB   LEU  27          2HB       LEU  27  -3.049  -4.539  -2.551
  186    HG   LEU  27           HG       LEU  27  -1.903  -2.836  -3.463
  187   1HD1  LEU  27          1HD1      LEU  27  -0.506  -1.325  -2.395
  188   2HD1  LEU  27          2HD1      LEU  27  -1.649  -1.809  -1.142
  189   3HD1  LEU  27          3HD1      LEU  27  -0.022  -2.492  -1.163
  190   1HD2  LEU  27          1HD2      LEU  27  -0.497  -4.572  -4.135
  191   2HD2  LEU  27          2HD2      LEU  27   0.588  -3.293  -3.590
  192   3HD2  LEU  27          3HD2      LEU  27   0.272  -4.685  -2.552
  193    H    ALA  28           H        ALA  28  -4.953  -4.051  -1.929
  194    HA   ALA  28           HA       ALA  28  -5.603  -1.478  -2.709
  195   1HB   ALA  28          1HB       ALA  28  -6.649  -3.953  -3.152
  196   2HB   ALA  28          2HB       ALA  28  -7.922  -3.200  -2.190
  197   3HB   ALA  28          3HB       ALA  28  -7.378  -2.440  -3.688
  198    H    LEU  29           H        LEU  29  -6.527  -3.203   0.239
  199    HA   LEU  29           HA       LEU  29  -8.416  -1.427   1.234
  200   1HB   LEU  29          1HB       LEU  29  -6.433  -3.168   2.673
  201   2HB   LEU  29          2HB       LEU  29  -7.693  -2.264   3.491
  202    HG   LEU  29           HG       LEU  29  -8.224  -4.357   1.384
  203   1HD1  LEU  29          1HD1      LEU  29  -8.308  -4.571   4.387
  204   2HD1  LEU  29          2HD1      LEU  29  -8.908  -5.786   3.261
  205   3HD1  LEU  29          3HD1      LEU  29  -7.189  -5.398   3.305
  206   1HD2  LEU  29          1HD2      LEU  29  -9.925  -2.622   3.114
  207   2HD2  LEU  29          2HD2      LEU  29 -10.117  -3.050   1.413
  208   3HD2  LEU  29          3HD2      LEU  29 -10.498  -4.231   2.669
  209    H    HIS  30           H        HIS  30  -4.884  -1.401   1.683
  210    HA   HIS  30           HA       HIS  30  -4.911   0.988   3.267
  211   1HB   HIS  30          1HB       HIS  30  -2.962  -0.164   3.694
  212   2HB   HIS  30          2HB       HIS  30  -2.801  -0.736   2.040
  213    HD1  HIS  30           HD1      HIS  30  -2.283   2.469   4.045
  214    HD2  HIS  30           HD2      HIS  30  -0.992   0.618   0.545
  215    HE1  HIS  30           HE1      HIS  30  -0.463   3.944   3.077
  216    H    ARG  31           H        ARG  31  -4.564   0.216  -0.132
  217    HA   ARG  31           HA       ARG  31  -3.573   2.753  -0.890
  218   1HB   ARG  31          1HB       ARG  31  -4.730   0.453  -2.434
  219   2HB   ARG  31          2HB       ARG  31  -4.252   1.956  -3.221
  220   1HG   ARG  31          1HG       ARG  31  -2.020   1.547  -1.900
  221   2HG   ARG  31          2HG       ARG  31  -2.571  -0.126  -1.918
  222   1HD   ARG  31          1HD       ARG  31  -1.232   0.097  -3.832
  223   2HD   ARG  31          2HD       ARG  31  -2.893   0.189  -4.429
  224    HE   ARG  31           HE       ARG  31  -1.003   2.423  -4.170
  225   1HH1  ARG  31          1HH1      ARG  31  -4.042   1.148  -5.356
  226   2HH1  ARG  31          2HH1      ARG  31  -4.360   2.509  -6.393
  227   1HH2  ARG  31          1HH2      ARG  31  -1.400   4.212  -5.551
  228   2HH2  ARG  31          2HH2      ARG  31  -2.853   4.257  -6.505
  229    H    LYS  32           H        LYS  32  -6.592   1.975   0.190
  230    HA   LYS  32           HA       LYS  32  -8.333   3.389  -1.506
  231   1HB   LYS  32          1HB       LYS  32  -8.405   2.246   1.149
  232   2HB   LYS  32          2HB       LYS  32  -9.239   3.794   1.113
  233   1HG   LYS  32          1HG       LYS  32 -10.782   1.980   0.689
  234   2HG   LYS  32          2HG       LYS  32 -10.620   3.000  -0.743
  235   1HD   LYS  32          1HD       LYS  32  -9.277   1.415  -1.851
  236   2HD   LYS  32          2HD       LYS  32  -8.984   0.508  -0.364
  237   1HE   LYS  32          1HE       LYS  32 -11.772   0.832  -1.393
  238   2HE   LYS  32          2HE       LYS  32 -10.705  -0.365  -2.125
  239   1HZ   LYS  32          1HZ       LYS  32 -12.236  -0.929  -0.081
  240   2HZ   LYS  32          2HZ       LYS  32 -10.907  -0.335   0.792
  241   3HZ   LYS  32          3HZ       LYS  32 -10.709  -1.643  -0.275
  242    H    ARG  33           H        ARG  33  -6.202   4.407   1.089
  243    HA   ARG  33           HA       ARG  33  -7.138   7.110   1.110
  244   1HB   ARG  33          1HB       ARG  33  -4.527   6.060   2.200
  245   2HB   ARG  33          2HB       ARG  33  -5.327   7.559   2.641
  246   1HG   ARG  33          1HG       ARG  33  -6.211   4.753   3.267
  247   2HG   ARG  33          2HG       ARG  33  -5.679   5.999   4.398
  248   1HD   ARG  33          1HD       ARG  33  -7.946   6.761   2.695
  249   2HD   ARG  33          2HD       ARG  33  -8.275   5.438   3.814
  250    HE   ARG  33           HE       ARG  33  -6.967   7.590   5.131
  251   1HH1  ARG  33          1HH1      ARG  33 -10.080   6.507   3.948
  252   2HH1  ARG  33          2HH1      ARG  33 -10.992   7.596   4.956
  253   1HH2  ARG  33          1HH2      ARG  33  -8.156   8.982   6.499
  254   2HH2  ARG  33          2HH2      ARG  33  -9.892   8.995   6.412
  255    H    HIS  34           H        HIS  34  -5.367   5.420  -1.120
  256    HA   HIS  34           HA       HIS  34  -3.722   7.707  -1.906
  257   1HB   HIS  34          1HB       HIS  34  -3.890   4.861  -2.879
  258   2HB   HIS  34          2HB       HIS  34  -3.009   6.097  -3.770
  259    HD1  HIS  34           HD1      HIS  34  -1.291   7.488  -1.885
  260    HD2  HIS  34           HD2      HIS  34  -2.168   3.450  -1.391
  261    HE1  HIS  34           HE1      HIS  34   0.477   6.551  -0.338
  262    H    MET  35           H        MET  35  -6.787   6.467  -2.367
  263    HA   MET  35           HA       MET  35  -7.119   7.484  -5.073
  264   1HB   MET  35          1HB       MET  35  -9.158   6.383  -3.133
  265   2HB   MET  35          2HB       MET  35  -9.465   6.785  -4.815
  266   1HG   MET  35          1HG       MET  35  -8.182   4.997  -5.597
  267   2HG   MET  35          2HG       MET  35  -7.385   4.772  -4.042
  268   1HE   MET  35          1HE       MET  35  -9.328   1.496  -4.681
  269   2HE   MET  35          2HE       MET  35  -7.926   2.446  -5.177
  270   3HE   MET  35          3HE       MET  35  -8.122   1.976  -3.487
  271    H    LEU  36           H        LEU  36  -7.415   8.522  -1.830
  272    HA   LEU  36           HA       LEU  36  -8.569  11.061  -2.750
  273   1HB   LEU  36          1HB       LEU  36  -9.062  10.285   0.062
  274   2HB   LEU  36          2HB       LEU  36 -10.080  11.177  -1.051
  275    HG   LEU  36           HG       LEU  36  -9.869   8.432  -1.896
  276   1HD1  LEU  36          1HD1      LEU  36 -10.451   7.210  -0.085
  277   2HD1  LEU  36          2HD1      LEU  36  -9.554   8.473   0.760
  278   3HD1  LEU  36          3HD1      LEU  36 -11.316   8.544   0.679
  279   1HD2  LEU  36          1HD2      LEU  36 -11.627  10.252  -2.358
  280   2HD2  LEU  36          2HD2      LEU  36 -12.179   8.599  -2.101
  281   3HD2  LEU  36          3HD2      LEU  36 -12.310   9.782  -0.802
  282    H    VAL  37           H        VAL  37  -6.121  11.251  -2.948
  283    HA   VAL  37           HA       VAL  37  -4.720  11.619  -0.442
  284    HB   VAL  37           HB       VAL  37  -2.833  12.371  -2.045
  285   1HG1  VAL  37          1HG1      VAL  37  -2.683   9.805  -2.797
  286   2HG1  VAL  37          2HG1      VAL  37  -2.334  10.357  -1.159
  287   3HG1  VAL  37          3HG1      VAL  37  -3.915   9.673  -1.542
  288   1HG2  VAL  37          1HG2      VAL  37  -4.723  12.437  -3.926
  289   2HG2  VAL  37          2HG2      VAL  37  -3.033  12.093  -4.288
  290   3HG2  VAL  37          3HG2      VAL  37  -4.189  10.770  -4.133
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1   9.751   9.261  -5.059
    2   2H    GLY   1          2H        GLY   1  11.063   8.261  -4.664
    3   3H    GLY   1          3H        GLY   1  11.155   9.935  -4.386
    4   1HA   GLY   1          1HA       GLY   1  10.623   9.367  -2.297
    5   2HA   GLY   1          2HA       GLY   1   8.994   9.394  -2.961
    6    H    SER   2           H        SER   2   8.262   7.866  -1.468
    7    HA   SER   2           HA       SER   2   7.739   5.797  -0.697
    8   1HB   SER   2          1HB       SER   2   9.019   4.590  -3.141
    9   2HB   SER   2          2HB       SER   2   7.592   4.046  -2.256
   10    HG   SER   2           HG       SER   2   6.477   5.857  -3.038
   11    H    THR   3           H        THR   3   9.236   3.323  -1.265
   12    HA   THR   3           HA       THR   3  10.864   2.070  -0.296
   13    HB   THR   3           HB       THR   3  12.879   4.236  -0.305
   14    HG1  THR   3           HG1      THR   3  11.442   3.437  -2.636
   15   1HG2  THR   3          1HG2      THR   3  13.547   2.112  -2.028
   16   2HG2  THR   3          2HG2      THR   3  12.740   1.390  -0.634
   17   3HG2  THR   3          3HG2      THR   3  14.156   2.415  -0.400
   18    H    ARG   4           H        ARG   4   9.190   3.668   1.481
   19    HA   ARG   4           HA       ARG   4  11.022   4.434   3.619
   20   1HB   ARG   4          1HB       ARG   4   8.397   5.277   2.781
   21   2HB   ARG   4          2HB       ARG   4   8.373   4.807   4.475
   22   1HG   ARG   4          1HG       ARG   4  10.194   6.350   4.946
   23   2HG   ARG   4          2HG       ARG   4  10.260   6.803   3.243
   24   1HD   ARG   4          1HD       ARG   4   8.204   7.447   5.306
   25   2HD   ARG   4          2HD       ARG   4   8.990   8.506   4.136
   26    HE   ARG   4           HE       ARG   4   7.592   7.408   2.418
   27   1HH1  ARG   4          1HH1      ARG   4   6.581   7.369   5.770
   28   2HH1  ARG   4          2HH1      ARG   4   4.911   7.080   5.387
   29   1HH2  ARG   4          1HH2      ARG   4   5.404   7.018   1.919
   30   2HH2  ARG   4          2HH2      ARG   4   4.245   6.841   3.210
   31    H    GLY   5           H        GLY   5  11.501   3.118   5.216
   32   1HA   GLY   5          1HA       GLY   5  11.200   1.571   6.907
   33   2HA   GLY   5          2HA       GLY   5   9.514   1.438   6.432
   34    H    SER   6           H        SER   6   8.928  -0.029   4.805
   35    HA   SER   6           HA       SER   6  10.555  -2.395   4.753
   36   1HB   SER   6          1HB       SER   6   8.501  -3.290   4.576
   37   2HB   SER   6          2HB       SER   6   7.799  -1.705   4.272
   38    HG   SER   6           HG       SER   6   8.104  -1.985   2.090
   39    H    THR   7           H        THR   7  11.641  -3.262   3.026
   40    HA   THR   7           HA       THR   7  12.057  -1.441   0.761
   41    HB   THR   7           HB       THR   7  14.225  -3.133   0.765
   42    HG1  THR   7           HG1      THR   7  13.554  -2.482   3.469
   43   1HG2  THR   7          1HG2      THR   7  13.812  -0.422   2.012
   44   2HG2  THR   7          2HG2      THR   7  14.462  -0.794   0.416
   45   3HG2  THR   7          3HG2      THR   7  15.401  -1.169   1.860
   46    H    GLY   8           H        GLY   8  10.154  -2.518  -0.183
   47   1HA   GLY   8          1HA       GLY   8   9.235  -3.928  -1.715
   48   2HA   GLY   8          2HA       GLY   8  10.870  -4.415  -2.129
   49    H    ILE   9           H        ILE   9   9.354  -4.781   0.979
   50    HA   ILE   9           HA       ILE   9   9.859  -7.635   0.952
   51    HB   ILE   9           HB       ILE   9   8.332  -6.154   3.085
   52   1HG1  ILE   9          1HG1      ILE   9  11.343  -6.406   2.874
   53   2HG1  ILE   9          2HG1      ILE   9  10.433  -4.927   2.583
   54   1HG2  ILE   9          1HG2      ILE   9   9.643  -8.781   2.826
   55   2HG2  ILE   9          2HG2      ILE   9   9.886  -7.949   4.362
   56   3HG2  ILE   9          3HG2      ILE   9   8.252  -8.294   3.795
   57   1HD1  ILE   9          1HD1      ILE   9  10.390  -4.450   4.739
   58   2HD1  ILE   9          2HD1      ILE   9   9.781  -6.052   5.151
   59   3HD1  ILE   9          3HD1      ILE   9  11.516  -5.784   4.985
   60    H    LYS  10           H        LYS  10   8.121  -9.197   1.446
   61    HA   LYS  10           HA       LYS  10   6.146 -10.219   1.043
   62   1HB   LYS  10          1HB       LYS  10   5.403  -7.544   1.944
   63   2HB   LYS  10          2HB       LYS  10   4.172  -8.303   0.942
   64   1HG   LYS  10          1HG       LYS  10   3.551  -9.650   2.584
   65   2HG   LYS  10          2HG       LYS  10   5.213 -10.167   2.876
   66   1HD   LYS  10          1HD       LYS  10   4.758  -7.467   3.821
   67   2HD   LYS  10          2HD       LYS  10   3.627  -8.608   4.552
   68   1HE   LYS  10          1HE       LYS  10   5.573 -10.051   5.139
   69   2HE   LYS  10          2HE       LYS  10   6.638  -8.775   4.548
   70   1HZ   LYS  10          1HZ       LYS  10   5.917  -8.968   7.074
   71   2HZ   LYS  10          2HZ       LYS  10   4.630  -8.012   6.522
   72   3HZ   LYS  10          3HZ       LYS  10   6.228  -7.474   6.333
   73    HA   PRO  11           HA       PRO  11   5.607 -10.258  -3.277
   74   1HB   PRO  11          1HB       PRO  11   3.109 -11.395  -3.480
   75   2HB   PRO  11          2HB       PRO  11   4.591 -12.296  -3.147
   76   1HG   PRO  11          1HG       PRO  11   2.514 -11.300  -1.241
   77   2HG   PRO  11          2HG       PRO  11   3.346 -12.865  -1.269
   78   1HD   PRO  11          1HD       PRO  11   4.064 -10.932   0.440
   79   2HD   PRO  11          2HD       PRO  11   5.276 -11.986  -0.316
   80    H    PHE  12           H        PHE  12   3.394  -8.512  -1.305
   81    HA   PHE  12           HA       PHE  12   2.567  -6.946  -3.636
   82   1HB   PHE  12          1HB       PHE  12   0.782  -7.767  -1.335
   83   2HB   PHE  12          2HB       PHE  12   0.323  -6.677  -2.642
   84    HD1  PHE  12           HD1      PHE  12   0.218  -9.978  -1.499
   85    HD2  PHE  12           HD2      PHE  12   0.632  -7.684  -5.059
   86    HE1  PHE  12           HE1      PHE  12  -0.548 -11.902  -2.822
   87    HE2  PHE  12           HE2      PHE  12  -0.130  -9.607  -6.391
   88    HZ   PHE  12           HZ       PHE  12  -0.722 -11.721  -5.273
   89    H    GLN  13           H        GLN  13   3.967  -5.296  -3.220
   90    HA   GLN  13           HA       GLN  13   3.869  -3.981  -0.603
   91   1HB   GLN  13          1HB       GLN  13   5.985  -3.261  -0.984
   92   2HB   GLN  13          2HB       GLN  13   6.010  -4.613  -2.109
   93   1HG   GLN  13          1HG       GLN  13   5.054  -2.761  -3.747
   94   2HG   GLN  13          2HG       GLN  13   5.900  -1.709  -2.621
   95   1HE2  GLN  13          1HE2      GLN  13   8.184  -2.300  -2.182
   96   2HE2  GLN  13          2HE2      GLN  13   9.122  -2.891  -3.518
   97    H    CYS  14           H        CYS  14   3.610  -1.617  -0.531
   98    HA   CYS  14           HA       CYS  14   1.633  -0.666  -2.385
   99   1HB   CYS  14          1HB       CYS  14   1.506   0.185  -0.117
  100   2HB   CYS  14          2HB       CYS  14   3.150   0.808  -0.216
  101    HA   PRO  15           HA       PRO  15   4.732   0.847  -5.239
  102   1HB   PRO  15          1HB       PRO  15   3.067   1.829  -7.099
  103   2HB   PRO  15          2HB       PRO  15   3.265   0.090  -6.859
  104   1HG   PRO  15          1HG       PRO  15   1.079   1.896  -5.908
  105   2HG   PRO  15          2HG       PRO  15   0.966   0.264  -6.590
  106   1HD   PRO  15          1HD       PRO  15   0.873   0.821  -3.903
  107   2HD   PRO  15          2HD       PRO  15   1.394  -0.732  -4.579
  108    H    ASP  16           H        ASP  16   2.897   2.586  -3.149
  109    HA   ASP  16           HA       ASP  16   3.792   5.187  -4.222
  110   1HB   ASP  16          1HB       ASP  16   1.276   4.662  -3.767
  111   2HB   ASP  16          2HB       ASP  16   1.710   4.883  -2.077
  112    H    CYS  17           H        CYS  17   3.507   3.219  -1.315
  113    HA   CYS  17           HA       CYS  17   5.292   5.064   0.109
  114   1HB   CYS  17          1HB       CYS  17   3.661   2.804   1.267
  115   2HB   CYS  17          2HB       CYS  17   4.481   4.083   2.154
  116    H    ASP  18           H        ASP  18   4.938   1.801  -0.968
  117    HA   ASP  18           HA       ASP  18   6.385   0.048  -1.159
  118   1HB   ASP  18          1HB       ASP  18   8.262   1.998  -0.998
  119   2HB   ASP  18          2HB       ASP  18   8.572   1.131   0.505
  120    H    ARG  19           H        ARG  19   4.416   0.116   0.529
  121    HA   ARG  19           HA       ARG  19   5.264  -0.765   3.164
  122   1HB   ARG  19          1HB       ARG  19   2.517  -1.135   1.994
  123   2HB   ARG  19          2HB       ARG  19   2.977  -0.974   3.681
  124   1HG   ARG  19          1HG       ARG  19   3.797   1.399   2.483
  125   2HG   ARG  19          2HG       ARG  19   2.214   1.048   1.788
  126   1HD   ARG  19          1HD       ARG  19   2.862   1.136   4.730
  127   2HD   ARG  19          2HD       ARG  19   2.044   2.406   3.822
  128    HE   ARG  19           HE       ARG  19   0.276   0.661   3.383
  129   1HH1  ARG  19          1HH1      ARG  19   2.352   0.529   6.209
  130   2HH1  ARG  19          2HH1      ARG  19   1.180  -0.308   7.188
  131   1HH2  ARG  19          1HH2      ARG  19  -1.282  -0.432   4.721
  132   2HH2  ARG  19          2HH2      ARG  19  -0.858  -0.852   6.352
  133    H    SER  20           H        SER  20   3.682  -3.029   3.542
  134    HA   SER  20           HA       SER  20   4.178  -4.806   1.318
  135   1HB   SER  20          1HB       SER  20   5.336  -6.287   3.346
  136   2HB   SER  20          2HB       SER  20   6.184  -5.492   2.019
  137    HG   SER  20           HG       SER  20   6.716  -3.831   3.305
  138    H    PHE  21           H        PHE  21   2.635  -6.204   1.144
  139    HA   PHE  21           HA       PHE  21   1.188  -7.114   3.535
  140   1HB   PHE  21          1HB       PHE  21  -0.215  -6.476   0.941
  141   2HB   PHE  21          2HB       PHE  21  -0.938  -6.815   2.507
  142    HD1  PHE  21           HD1      PHE  21  -1.328  -5.099   4.070
  143    HD2  PHE  21           HD2      PHE  21   0.959  -4.310   0.569
  144    HE1  PHE  21           HE1      PHE  21  -1.447  -2.690   4.538
  145    HE2  PHE  21           HE2      PHE  21   0.842  -1.900   1.033
  146    HZ   PHE  21           HZ       PHE  21  -0.356  -1.087   3.018
  147    H    SER  22           H        SER  22   0.534  -9.248   3.460
  148    HA   SER  22           HA       SER  22   1.797 -10.914   1.496
  149   1HB   SER  22          1HB       SER  22  -0.195 -12.251   3.142
  150   2HB   SER  22          2HB       SER  22   1.549 -12.502   3.064
  151    HG   SER  22           HG       SER  22   0.091 -11.190   4.924
  152    H    ARG  23           H        ARG  23  -1.345  -9.543   2.007
  153    HA   ARG  23           HA       ARG  23  -2.439 -11.080  -0.254
  154   1HB   ARG  23          1HB       ARG  23  -3.980  -9.462   1.774
  155   2HB   ARG  23          2HB       ARG  23  -4.631 -10.592   0.596
  156   1HG   ARG  23          1HG       ARG  23  -3.853 -12.448   1.771
  157   2HG   ARG  23          2HG       ARG  23  -2.723 -11.483   2.723
  158   1HD   ARG  23          1HD       ARG  23  -4.816 -12.279   3.915
  159   2HD   ARG  23          2HD       ARG  23  -4.445 -10.560   4.031
  160    HE   ARG  23           HE       ARG  23  -6.262 -10.086   2.609
  161   1HH1  ARG  23          1HH1      ARG  23  -5.941 -13.526   3.215
  162   2HH1  ARG  23          2HH1      ARG  23  -7.582 -13.884   2.761
  163   1HH2  ARG  23          1HH2      ARG  23  -8.380 -10.539   1.998
  164   2HH2  ARG  23          2HH2      ARG  23  -8.981 -12.176   2.058
  165    H    SER  24           H        SER  24  -3.157 -10.078  -2.028
  166    HA   SER  24           HA       SER  24  -2.372  -7.400  -2.614
  167   1HB   SER  24          1HB       SER  24  -2.823  -9.456  -4.200
  168   2HB   SER  24          2HB       SER  24  -4.481  -8.858  -4.180
  169    HG   SER  24           HG       SER  24  -3.595  -7.800  -5.841
  170    H    ASP  25           H        ASP  25  -5.201  -8.942  -1.361
  171    HA   ASP  25           HA       ASP  25  -7.078  -6.889  -1.773
  172   1HB   ASP  25          1HB       ASP  25  -8.275  -8.664  -1.122
  173   2HB   ASP  25          2HB       ASP  25  -6.898  -9.394  -0.326
  174    H    HIS  26           H        HIS  26  -4.787  -7.534   0.828
  175    HA   HIS  26           HA       HIS  26  -5.700  -5.436   2.531
  176   1HB   HIS  26          1HB       HIS  26  -3.423  -7.323   2.483
  177   2HB   HIS  26          2HB       HIS  26  -3.139  -5.806   3.331
  178    HD1  HIS  26           HD1      HIS  26  -3.206  -6.621   5.712
  179    HD2  HIS  26           HD2      HIS  26  -6.522  -7.815   3.500
  180    HE1  HIS  26           HE1      HIS  26  -4.773  -7.698   7.360
  181    HE2  HIS  26           HE2      HIS  26  -6.655  -8.615   5.956
  182    H    LEU  27           H        LEU  27  -3.372  -5.700  -0.056
  183    HA   LEU  27           HA       LEU  27  -2.004  -3.266   0.195
  184   1HB   LEU  27          1HB       LEU  27  -1.563  -5.145  -1.460
  185   2HB   LEU  27          2HB       LEU  27  -2.907  -4.527  -2.396
  186    HG   LEU  27           HG       LEU  27  -1.716  -2.836  -3.259
  187   1HD1  LEU  27          1HD1      LEU  27   0.258  -2.477  -1.084
  188   2HD1  LEU  27          2HD1      LEU  27  -0.515  -1.286  -2.133
  189   3HD1  LEU  27          3HD1      LEU  27  -1.409  -1.981  -0.780
  190   1HD2  LEU  27          1HD2      LEU  27   0.492  -4.628  -2.292
  191   2HD2  LEU  27          2HD2      LEU  27  -0.369  -4.717  -3.829
  192   3HD2  LEU  27          3HD2      LEU  27   0.693  -3.350  -3.491
  193    H    ALA  28           H        ALA  28  -4.831  -4.059  -1.785
  194    HA   ALA  28           HA       ALA  28  -5.459  -1.527  -2.697
  195   1HB   ALA  28          1HB       ALA  28  -7.501  -2.413  -3.411
  196   2HB   ALA  28          2HB       ALA  28  -6.420  -3.806  -3.379
  197   3HB   ALA  28          3HB       ALA  28  -7.579  -3.559  -2.073
  198    H    LEU  29           H        LEU  29  -6.451  -3.110   0.314
  199    HA   LEU  29           HA       LEU  29  -8.363  -1.267   1.175
  200   1HB   LEU  29          1HB       LEU  29  -6.442  -2.937   2.790
  201   2HB   LEU  29          2HB       LEU  29  -7.782  -2.038   3.473
  202    HG   LEU  29           HG       LEU  29  -8.063  -4.268   1.462
  203   1HD1  LEU  29          1HD1      LEU  29  -7.388  -5.380   3.362
  204   2HD1  LEU  29          2HD1      LEU  29  -8.135  -4.206   4.446
  205   3HD1  LEU  29          3HD1      LEU  29  -9.141  -5.353   3.561
  206   1HD2  LEU  29          1HD2      LEU  29 -10.452  -4.161   2.126
  207   2HD2  LEU  29          2HD2      LEU  29 -10.095  -2.700   3.048
  208   3HD2  LEU  29          3HD2      LEU  29  -9.890  -2.710   1.297
  209    H    HIS  30           H        HIS  30  -4.864  -1.334   1.811
  210    HA   HIS  30           HA       HIS  30  -4.830   1.121   3.258
  211   1HB   HIS  30          1HB       HIS  30  -2.928  -0.123   3.703
  212   2HB   HIS  30          2HB       HIS  30  -2.762  -0.662   2.036
  213    HD1  HIS  30           HD1      HIS  30  -2.221   2.509   4.101
  214    HD2  HIS  30           HD2      HIS  30  -0.904   0.689   0.593
  215    HE1  HIS  30           HE1      HIS  30  -0.358   3.958   3.194
  216    H    ARG  31           H        ARG  31  -4.483   0.239  -0.105
  217    HA   ARG  31           HA       ARG  31  -3.485   2.751  -0.957
  218   1HB   ARG  31          1HB       ARG  31  -4.616   0.373  -2.402
  219   2HB   ARG  31          2HB       ARG  31  -4.136   1.837  -3.252
  220   1HG   ARG  31          1HG       ARG  31  -1.920   1.469  -1.845
  221   2HG   ARG  31          2HG       ARG  31  -2.467  -0.205  -1.908
  222   1HD   ARG  31          1HD       ARG  31  -1.080   0.056  -3.784
  223   2HD   ARG  31          2HD       ARG  31  -2.727   0.146  -4.417
  224    HE   ARG  31           HE       ARG  31  -0.819   2.350  -4.163
  225   1HH1  ARG  31          1HH1      ARG  31  -3.953   1.184  -5.188
  226   2HH1  ARG  31          2HH1      ARG  31  -4.321   2.604  -6.123
  227   1HH2  ARG  31          1HH2      ARG  31  -1.266   4.207  -5.457
  228   2HH2  ARG  31          2HH2      ARG  31  -2.799   4.313  -6.281
  229    H    LYS  32           H        LYS  32  -6.445   2.098   0.233
  230    HA   LYS  32           HA       LYS  32  -8.198   3.392  -1.591
  231   1HB   LYS  32          1HB       LYS  32  -8.341   2.290   1.070
  232   2HB   LYS  32          2HB       LYS  32  -9.156   3.846   1.012
  233   1HG   LYS  32          1HG       LYS  32 -10.825   2.312   0.517
  234   2HG   LYS  32          2HG       LYS  32 -10.342   2.938  -1.062
  235   1HD   LYS  32          1HD       LYS  32  -8.652   0.860  -0.862
  236   2HD   LYS  32          2HD       LYS  32  -9.996   0.244   0.105
  237   1HE   LYS  32          1HE       LYS  32 -10.791   1.508  -2.418
  238   2HE   LYS  32          2HE       LYS  32  -9.803   0.059  -2.608
  239   1HZ   LYS  32          1HZ       LYS  32 -12.236  -0.352  -2.532
  240   2HZ   LYS  32          2HZ       LYS  32 -12.241   0.180  -0.919
  241   3HZ   LYS  32          3HZ       LYS  32 -11.359  -1.203  -1.354
  242    H    ARG  33           H        ARG  33  -5.951   4.480   0.820
  243    HA   ARG  33           HA       ARG  33  -6.902   7.203   0.839
  244   1HB   ARG  33          1HB       ARG  33  -4.328   6.011   1.891
  245   2HB   ARG  33          2HB       ARG  33  -4.877   7.655   2.183
  246   1HG   ARG  33          1HG       ARG  33  -7.022   6.184   3.012
  247   2HG   ARG  33          2HG       ARG  33  -5.662   5.155   3.462
  248   1HD   ARG  33          1HD       ARG  33  -5.306   6.433   5.236
  249   2HD   ARG  33          2HD       ARG  33  -4.967   7.794   4.168
  250    HE   ARG  33           HE       ARG  33  -7.127   8.597   4.511
  251   1HH1  ARG  33          1HH1      ARG  33  -6.679   5.499   6.100
  252   2HH1  ARG  33          2HH1      ARG  33  -8.090   5.668   7.102
  253   1HH2  ARG  33          1HH2      ARG  33  -8.987   8.813   5.840
  254   2HH2  ARG  33          2HH2      ARG  33  -9.416   7.529   6.931
  255    H    HIS  34           H        HIS  34  -5.313   5.391  -1.399
  256    HA   HIS  34           HA       HIS  34  -3.697   7.632  -2.383
  257   1HB   HIS  34          1HB       HIS  34  -3.733   4.701  -3.110
  258   2HB   HIS  34          2HB       HIS  34  -2.782   5.904  -3.975
  259    HD1  HIS  34           HD1      HIS  34  -1.419   7.475  -1.863
  260    HD2  HIS  34           HD2      HIS  34  -2.047   3.382  -1.500
  261    HE1  HIS  34           HE1      HIS  34   0.248   6.644  -0.154
  262    H    MET  35           H        MET  35  -6.732   6.504  -2.604
  263    HA   MET  35           HA       MET  35  -7.161   6.936  -5.443
  264   1HB   MET  35          1HB       MET  35  -9.049   6.459  -3.132
  265   2HB   MET  35          2HB       MET  35  -9.590   6.729  -4.783
  266   1HG   MET  35          1HG       MET  35  -8.463   4.734  -5.524
  267   2HG   MET  35          2HG       MET  35  -7.769   4.493  -3.923
  268   1HE   MET  35          1HE       MET  35 -10.666   2.049  -5.352
  269   2HE   MET  35          2HE       MET  35 -11.342   3.557  -5.967
  270   3HE   MET  35          3HE       MET  35  -9.634   3.191  -6.213
  271    H    LEU  36           H        LEU  36  -7.353   8.596  -2.418
  272    HA   LEU  36           HA       LEU  36  -7.900  11.096  -3.846
  273   1HB   LEU  36          1HB       LEU  36  -8.744  10.836  -0.997
  274   2HB   LEU  36          2HB       LEU  36  -9.368  11.889  -2.252
  275    HG   LEU  36           HG       LEU  36 -10.020   9.305  -3.102
  276   1HD1  LEU  36          1HD1      LEU  36 -10.930   9.568  -0.259
  277   2HD1  LEU  36          2HD1      LEU  36 -10.970   8.155  -1.316
  278   3HD1  LEU  36          3HD1      LEU  36  -9.435   8.726  -0.664
  279   1HD2  LEU  36          1HD2      LEU  36 -11.441  11.674  -2.018
  280   2HD2  LEU  36          2HD2      LEU  36 -11.586  10.884  -3.588
  281   3HD2  LEU  36          3HD2      LEU  36 -12.344  10.168  -2.166
  282    H    VAL  37           H        VAL  37  -5.767  11.636  -3.944
  283    HA   VAL  37           HA       VAL  37  -3.986  11.248  -1.765
  284    HB   VAL  37           HB       VAL  37  -3.607  12.945  -4.239
  285   1HG1  VAL  37          1HG1      VAL  37  -2.053  13.080  -2.083
  286   2HG1  VAL  37          2HG1      VAL  37  -1.338  11.655  -2.838
  287   3HG1  VAL  37          3HG1      VAL  37  -1.407  13.179  -3.721
  288   1HG2  VAL  37          1HG2      VAL  37  -3.007  10.041  -3.702
  289   2HG2  VAL  37          2HG2      VAL  37  -4.098  10.709  -4.917
  290   3HG2  VAL  37          3HG2      VAL  37  -2.356  10.941  -5.072
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1   8.766  -1.244  -6.226
    2   2H    GLY   1          2H        GLY   1   8.131  -0.575  -7.647
    3   3H    GLY   1          3H        GLY   1   7.117  -0.854  -6.316
    4   1HA   GLY   1          1HA       GLY   1   9.170   1.224  -6.692
    5   2HA   GLY   1          2HA       GLY   1   7.489   1.410  -6.212
    6    H    SER   2           H        SER   2  10.657   0.308  -5.149
    7    HA   SER   2           HA       SER   2   9.767   0.392  -2.356
    8   1HB   SER   2          1HB       SER   2  12.569  -0.340  -3.092
    9   2HB   SER   2          2HB       SER   2  11.533  -0.992  -1.821
   10    HG   SER   2           HG       SER   2  10.284  -1.709  -3.909
   11    H    THR   3           H        THR   3  11.082   1.580  -0.788
   12    HA   THR   3           HA       THR   3  12.559   3.829  -1.981
   13    HB   THR   3           HB       THR   3  11.560   5.421  -0.523
   14    HG1  THR   3           HG1      THR   3  10.609   3.129   0.835
   15   1HG2  THR   3          1HG2      THR   3   9.707   3.641  -1.998
   16   2HG2  THR   3          2HG2      THR   3  10.024   5.366  -2.199
   17   3HG2  THR   3          3HG2      THR   3   8.983   4.807  -0.891
   18    H    ARG   4           H        ARG   4  13.126   5.033   0.551
   19    HA   ARG   4           HA       ARG   4  15.213   3.245   1.471
   20   1HB   ARG   4          1HB       ARG   4  14.529   6.116   1.872
   21   2HB   ARG   4          2HB       ARG   4  15.502   5.324   3.103
   22   1HG   ARG   4          1HG       ARG   4  17.174   4.742   1.446
   23   2HG   ARG   4          2HG       ARG   4  16.182   5.453   0.171
   24   1HD   ARG   4          1HD       ARG   4  17.519   6.869   2.470
   25   2HD   ARG   4          2HD       ARG   4  17.867   7.041   0.750
   26    HE   ARG   4           HE       ARG   4  15.670   8.247   2.230
   27   1HH1  ARG   4          1HH1      ARG   4  17.065   7.503  -0.907
   28   2HH1  ARG   4          2HH1      ARG   4  16.119   8.695  -1.750
   29   1HH2  ARG   4          1HH2      ARG   4  14.426   9.814   1.121
   30   2HH2  ARG   4          2HH2      ARG   4  14.656  10.046  -0.589
   31    H    GLY   5           H        GLY   5  13.036   1.943   2.035
   32   1HA   GLY   5          1HA       GLY   5  12.910   2.037   4.943
   33   2HA   GLY   5          2HA       GLY   5  11.387   2.264   4.091
   34    H    SER   6           H        SER   6  10.582   0.556   2.786
   35    HA   SER   6           HA       SER   6  11.608  -2.082   3.595
   36   1HB   SER   6          1HB       SER   6   9.014  -2.179   2.329
   37   2HB   SER   6          2HB       SER   6   9.480  -2.692   3.951
   38    HG   SER   6           HG       SER   6   8.598  -0.142   3.078
   39    H    THR   7           H        THR   7  12.920  -2.880   2.074
   40    HA   THR   7           HA       THR   7  12.752  -1.951  -0.623
   41    HB   THR   7           HB       THR   7  14.587  -4.024  -0.615
   42    HG1  THR   7           HG1      THR   7  15.122  -4.367   1.395
   43   1HG2  THR   7          1HG2      THR   7  15.003  -1.114   0.080
   44   2HG2  THR   7          2HG2      THR   7  14.927  -1.794  -1.545
   45   3HG2  THR   7          3HG2      THR   7  16.257  -2.225  -0.472
   46    H    GLY   8           H        GLY   8  10.581  -2.775  -0.971
   47   1HA   GLY   8          1HA       GLY   8   9.126  -4.184  -2.017
   48   2HA   GLY   8          2HA       GLY   8  10.555  -4.846  -2.788
   49    H    ILE   9           H        ILE   9   9.501  -4.959   0.583
   50    HA   ILE   9           HA       ILE   9   9.914  -7.823   0.678
   51    HB   ILE   9           HB       ILE   9   8.520  -6.233   2.811
   52   1HG1  ILE   9          1HG1      ILE   9  11.522  -6.460   2.632
   53   2HG1  ILE   9          2HG1      ILE   9  10.645  -5.069   2.004
   54   1HG2  ILE   9          1HG2      ILE   9  10.501  -8.126   3.690
   55   2HG2  ILE   9          2HG2      ILE   9   8.772  -8.071   4.037
   56   3HG2  ILE   9          3HG2      ILE   9   9.355  -8.888   2.585
   57   1HD1  ILE   9          1HD1      ILE   9  10.223  -5.928   4.827
   58   2HD1  ILE   9          2HD1      ILE   9  11.656  -5.000   4.385
   59   3HD1  ILE   9          3HD1      ILE   9  10.051  -4.330   4.099
   60    H    LYS  10           H        LYS  10   8.145  -9.289   1.339
   61    HA   LYS  10           HA       LYS  10   6.108 -10.244   1.091
   62   1HB   LYS  10          1HB       LYS  10   5.558  -7.562   1.992
   63   2HB   LYS  10          2HB       LYS  10   4.273  -8.135   0.932
   64   1HG   LYS  10          1HG       LYS  10   3.441  -9.383   2.553
   65   2HG   LYS  10          2HG       LYS  10   4.986 -10.217   2.746
   66   1HD   LYS  10          1HD       LYS  10   4.899  -7.516   3.881
   67   2HD   LYS  10          2HD       LYS  10   3.806  -8.673   4.645
   68   1HE   LYS  10          1HE       LYS  10   5.717 -10.233   4.900
   69   2HE   LYS  10          2HE       LYS  10   6.780  -8.981   4.258
   70   1HZ   LYS  10          1HZ       LYS  10   6.406  -7.627   6.116
   71   2HZ   LYS  10          2HZ       LYS  10   6.643  -9.185   6.751
   72   3HZ   LYS  10          3HZ       LYS  10   5.075  -8.542   6.639
   73    HA   PRO  11           HA       PRO  11   5.361 -10.549  -3.189
   74   1HB   PRO  11          1HB       PRO  11   2.720 -11.366  -3.182
   75   2HB   PRO  11          2HB       PRO  11   4.109 -12.426  -2.922
   76   1HG   PRO  11          1HG       PRO  11   2.309 -11.134  -0.916
   77   2HG   PRO  11          2HG       PRO  11   2.973 -12.778  -0.928
   78   1HD   PRO  11          1HD       PRO  11   4.018 -10.883   0.637
   79   2HD   PRO  11          2HD       PRO  11   5.061 -12.063  -0.182
   80    H    PHE  12           H        PHE  12   3.169  -8.622  -1.265
   81    HA   PHE  12           HA       PHE  12   2.560  -7.012  -3.641
   82   1HB   PHE  12          1HB       PHE  12   0.672  -7.705  -1.382
   83   2HB   PHE  12          2HB       PHE  12   0.294  -6.668  -2.755
   84    HD1  PHE  12           HD1      PHE  12   0.761  -7.835  -5.111
   85    HD2  PHE  12           HD2      PHE  12  -0.047  -9.872  -1.466
   86    HE1  PHE  12           HE1      PHE  12   0.011  -9.802  -6.381
   87    HE2  PHE  12           HE2      PHE  12  -0.795 -11.845  -2.727
   88    HZ   PHE  12           HZ       PHE  12  -0.763 -11.814  -5.190
   89    H    GLN  13           H        GLN  13   4.080  -5.439  -3.130
   90    HA   GLN  13           HA       GLN  13   3.792  -4.087  -0.547
   91   1HB   GLN  13          1HB       GLN  13   5.962  -3.455  -0.720
   92   2HB   GLN  13          2HB       GLN  13   6.052  -4.783  -1.863
   93   1HG   GLN  13          1HG       GLN  13   5.974  -3.341  -3.707
   94   2HG   GLN  13          2HG       GLN  13   5.429  -1.986  -2.733
   95   1HE2  GLN  13          1HE2      GLN  13   7.222  -2.119  -0.621
   96   2HE2  GLN  13          2HE2      GLN  13   8.803  -1.757  -1.214
   97    H    CYS  14           H        CYS  14   3.693  -1.690  -0.555
   98    HA   CYS  14           HA       CYS  14   1.794  -0.732  -2.512
   99   1HB   CYS  14          1HB       CYS  14   1.592   0.055  -0.180
  100   2HB   CYS  14          2HB       CYS  14   3.167   0.841  -0.316
  101    HA   PRO  15           HA       PRO  15   5.103   0.776  -5.158
  102   1HB   PRO  15          1HB       PRO  15   3.530   1.788  -7.096
  103   2HB   PRO  15          2HB       PRO  15   3.809   0.051  -6.923
  104   1HG   PRO  15          1HG       PRO  15   1.463   1.695  -6.057
  105   2HG   PRO  15          2HG       PRO  15   1.490   0.090  -6.810
  106   1HD   PRO  15          1HD       PRO  15   1.151   0.508  -4.129
  107   2HD   PRO  15          2HD       PRO  15   1.853  -0.970  -4.812
  108    H    ASP  16           H        ASP  16   2.881   2.455  -3.305
  109    HA   ASP  16           HA       ASP  16   3.750   5.091  -4.251
  110   1HB   ASP  16          1HB       ASP  16   1.338   4.013  -2.941
  111   2HB   ASP  16          2HB       ASP  16   1.860   5.583  -2.363
  112    H    CYS  17           H        CYS  17   3.713   2.940  -1.490
  113    HA   CYS  17           HA       CYS  17   5.166   4.944   0.086
  114   1HB   CYS  17          1HB       CYS  17   3.567   2.555   1.005
  115   2HB   CYS  17          2HB       CYS  17   4.393   3.696   2.063
  116    H    ASP  18           H        ASP  18   5.221   1.680  -1.029
  117    HA   ASP  18           HA       ASP  18   6.856   0.119  -1.187
  118   1HB   ASP  18          1HB       ASP  18   9.054   0.513  -0.846
  119   2HB   ASP  18          2HB       ASP  18   8.518   2.178  -0.819
  120    H    ARG  19           H        ARG  19   4.766   0.696   0.837
  121    HA   ARG  19           HA       ARG  19   5.384  -0.670   3.252
  122   1HB   ARG  19          1HB       ARG  19   2.954   0.217   1.829
  123   2HB   ARG  19          2HB       ARG  19   2.738  -1.180   2.875
  124   1HG   ARG  19          1HG       ARG  19   3.073   0.012   4.769
  125   2HG   ARG  19          2HG       ARG  19   4.198   1.125   3.996
  126   1HD   ARG  19          1HD       ARG  19   2.319   2.432   4.423
  127   2HD   ARG  19          2HD       ARG  19   2.167   2.003   2.721
  128    HE   ARG  19           HE       ARG  19   0.313   0.735   3.214
  129   1HH1  ARG  19          1HH1      ARG  19   1.871   1.829   6.153
  130   2HH1  ARG  19          2HH1      ARG  19   0.624   1.235   7.208
  131   1HH2  ARG  19          1HH2      ARG  19  -1.348  -0.063   4.614
  132   2HH2  ARG  19          2HH2      ARG  19  -1.209   0.157   6.332
  133    H    SER  20           H        SER  20   3.912  -2.858   3.623
  134    HA   SER  20           HA       SER  20   4.275  -4.589   1.295
  135   1HB   SER  20          1HB       SER  20   5.368  -6.112   3.364
  136   2HB   SER  20          2HB       SER  20   6.233  -5.402   2.002
  137    HG   SER  20           HG       SER  20   6.173  -3.419   3.473
  138    H    PHE  21           H        PHE  21   2.755  -6.062   1.096
  139    HA   PHE  21           HA       PHE  21   1.265  -6.943   3.467
  140   1HB   PHE  21          1HB       PHE  21  -0.065  -6.195   0.853
  141   2HB   PHE  21          2HB       PHE  21  -0.852  -6.636   2.365
  142    HD1  PHE  21           HD1      PHE  21   1.025  -4.010   0.607
  143    HD2  PHE  21           HD2      PHE  21  -1.159  -5.049   4.109
  144    HE1  PHE  21           HE1      PHE  21   0.949  -1.644   1.254
  145    HE2  PHE  21           HE2      PHE  21  -1.233  -2.679   4.767
  146    HZ   PHE  21           HZ       PHE  21  -0.166  -0.979   3.341
  147    H    SER  22           H        SER  22   0.437  -9.038   3.315
  148    HA   SER  22           HA       SER  22   1.709 -10.686   1.287
  149   1HB   SER  22          1HB       SER  22   0.017 -12.225   2.989
  150   2HB   SER  22          2HB       SER  22   1.780 -12.158   2.980
  151    HG   SER  22           HG       SER  22   0.088 -11.222   4.819
  152    H    ARG  23           H        ARG  23  -1.226  -9.119   1.826
  153    HA   ARG  23           HA       ARG  23  -2.620 -10.826  -0.132
  154   1HB   ARG  23          1HB       ARG  23  -3.873  -8.955   1.885
  155   2HB   ARG  23          2HB       ARG  23  -4.714 -10.067   0.815
  156   1HG   ARG  23          1HG       ARG  23  -3.781 -11.960   1.998
  157   2HG   ARG  23          2HG       ARG  23  -2.846 -10.875   3.034
  158   1HD   ARG  23          1HD       ARG  23  -4.967 -11.762   4.048
  159   2HD   ARG  23          2HD       ARG  23  -4.810 -10.006   4.044
  160    HE   ARG  23           HE       ARG  23  -6.562  -9.854   2.535
  161   1HH1  ARG  23          1HH1      ARG  23  -5.704 -13.216   3.088
  162   2HH1  ARG  23          2HH1      ARG  23  -7.083 -13.833   2.223
  163   1HH2  ARG  23          1HH2      ARG  23  -8.393 -10.688   1.442
  164   2HH2  ARG  23          2HH2      ARG  23  -8.602 -12.404   1.301
  165    H    SER  24           H        SER  24  -3.296  -9.956  -1.963
  166    HA   SER  24           HA       SER  24  -2.539  -7.335  -2.782
  167   1HB   SER  24          1HB       SER  24  -3.539  -9.687  -3.998
  168   2HB   SER  24          2HB       SER  24  -4.706  -8.420  -4.348
  169    HG   SER  24           HG       SER  24  -2.734  -7.151  -4.969
  170    H    ASP  25           H        ASP  25  -5.302  -8.778  -1.283
  171    HA   ASP  25           HA       ASP  25  -7.191  -6.717  -1.689
  172   1HB   ASP  25          1HB       ASP  25  -8.385  -8.426  -0.873
  173   2HB   ASP  25          2HB       ASP  25  -6.960  -9.200  -0.215
  174    H    HIS  26           H        HIS  26  -5.021  -7.471   1.000
  175    HA   HIS  26           HA       HIS  26  -5.711  -5.251   2.588
  176   1HB   HIS  26          1HB       HIS  26  -3.668  -7.341   2.656
  177   2HB   HIS  26          2HB       HIS  26  -3.097  -5.804   3.303
  178    HD1  HIS  26           HD1      HIS  26  -3.183  -6.193   5.790
  179    HD2  HIS  26           HD2      HIS  26  -6.685  -7.349   3.856
  180    HE1  HIS  26           HE1      HIS  26  -4.812  -6.785   7.616
  181    HE2  HIS  26           HE2      HIS  26  -6.961  -7.358   6.428
  182    H    LEU  27           H        LEU  27  -3.401  -5.675   0.003
  183    HA   LEU  27           HA       LEU  27  -1.961  -3.267   0.201
  184   1HB   LEU  27          1HB       LEU  27  -1.563  -5.196  -1.413
  185   2HB   LEU  27          2HB       LEU  27  -2.892  -4.561  -2.361
  186    HG   LEU  27           HG       LEU  27  -1.639  -2.927  -3.269
  187   1HD1  LEU  27          1HD1      LEU  27  -0.417  -1.369  -2.159
  188   2HD1  LEU  27          2HD1      LEU  27  -1.365  -2.000  -0.811
  189   3HD1  LEU  27          3HD1      LEU  27   0.296  -2.546  -1.054
  190   1HD2  LEU  27          1HD2      LEU  27   0.643  -3.530  -3.632
  191   2HD2  LEU  27          2HD2      LEU  27   0.660  -4.527  -2.177
  192   3HD2  LEU  27          3HD2      LEU  27  -0.324  -5.004  -3.561
  193    H    ALA  28           H        ALA  28  -4.770  -4.032  -1.839
  194    HA   ALA  28           HA       ALA  28  -5.321  -1.454  -2.698
  195   1HB   ALA  28          1HB       ALA  28  -6.283  -3.524  -3.658
  196   2HB   ALA  28          2HB       ALA  28  -7.344  -3.646  -2.253
  197   3HB   ALA  28          3HB       ALA  28  -7.488  -2.273  -3.350
  198    H    LEU  29           H        LEU  29  -6.522  -3.163   0.180
  199    HA   LEU  29           HA       LEU  29  -8.397  -1.325   1.067
  200   1HB   LEU  29          1HB       LEU  29  -6.554  -3.127   2.602
  201   2HB   LEU  29          2HB       LEU  29  -7.782  -2.147   3.378
  202    HG   LEU  29           HG       LEU  29  -8.295  -4.315   1.340
  203   1HD1  LEU  29          1HD1      LEU  29  -9.231  -5.559   3.187
  204   2HD1  LEU  29          2HD1      LEU  29  -7.557  -5.132   3.544
  205   3HD1  LEU  29          3HD1      LEU  29  -8.875  -4.235   4.298
  206   1HD2  LEU  29          1HD2      LEU  29 -10.234  -2.630   2.927
  207   2HD2  LEU  29          2HD2      LEU  29  -9.924  -2.490   1.197
  208   3HD2  LEU  29          3HD2      LEU  29 -10.655  -3.958   1.846
  209    H    HIS  30           H        HIS  30  -4.903  -1.346   1.584
  210    HA   HIS  30           HA       HIS  30  -4.906   1.057   3.155
  211   1HB   HIS  30          1HB       HIS  30  -2.976  -0.130   3.600
  212   2HB   HIS  30          2HB       HIS  30  -2.811  -0.699   1.944
  213    HD1  HIS  30           HD1      HIS  30  -2.367   2.556   3.896
  214    HD2  HIS  30           HD2      HIS  30  -0.941   0.602   0.506
  215    HE1  HIS  30           HE1      HIS  30  -0.558   4.028   2.926
  216    H    ARG  31           H        ARG  31  -4.408   0.219  -0.227
  217    HA   ARG  31           HA       ARG  31  -3.573   2.829  -0.975
  218   1HB   ARG  31          1HB       ARG  31  -4.451   0.461  -2.619
  219   2HB   ARG  31          2HB       ARG  31  -3.854   1.966  -3.311
  220   1HG   ARG  31          1HG       ARG  31  -1.786   1.606  -1.865
  221   2HG   ARG  31          2HG       ARG  31  -2.379  -0.037  -1.639
  222   1HD   ARG  31          1HD       ARG  31  -0.977  -0.297  -3.440
  223   2HD   ARG  31          2HD       ARG  31  -2.532  -0.045  -4.235
  224    HE   ARG  31           HE       ARG  31  -0.712   2.222  -3.828
  225   1HH1  ARG  31          1HH1      ARG  31  -2.307  -0.033  -5.974
  226   2HH1  ARG  31          2HH1      ARG  31  -2.051   0.941  -7.394
  227   1HH2  ARG  31          1HH2      ARG  31  -0.315   3.490  -5.698
  228   2HH2  ARG  31          2HH2      ARG  31  -0.892   2.924  -7.244
  229    H    LYS  32           H        LYS  32  -6.503   1.863   0.015
  230    HA   LYS  32           HA       LYS  32  -8.224   3.206  -1.836
  231   1HB   LYS  32          1HB       LYS  32  -8.487   1.803   0.687
  232   2HB   LYS  32          2HB       LYS  32  -9.421   3.292   0.692
  233   1HG   LYS  32          1HG       LYS  32 -10.771   1.425  -0.056
  234   2HG   LYS  32          2HG       LYS  32 -10.552   2.599  -1.354
  235   1HD   LYS  32          1HD       LYS  32  -9.793   0.966  -2.652
  236   2HD   LYS  32          2HD       LYS  32  -8.420   0.771  -1.558
  237   1HE   LYS  32          1HE       LYS  32  -9.174  -1.260  -1.072
  238   2HE   LYS  32          2HE       LYS  32 -10.570  -0.504  -0.305
  239   1HZ   LYS  32          1HZ       LYS  32 -11.112  -0.482  -3.002
  240   2HZ   LYS  32          2HZ       LYS  32 -11.803  -1.496  -1.833
  241   3HZ   LYS  32          3HZ       LYS  32 -10.445  -2.016  -2.708
  242    H    ARG  33           H        ARG  33  -6.139   4.083   0.751
  243    HA   ARG  33           HA       ARG  33  -7.198   6.712   1.181
  244   1HB   ARG  33          1HB       ARG  33  -4.632   5.345   1.973
  245   2HB   ARG  33          2HB       ARG  33  -4.966   7.023   2.368
  246   1HG   ARG  33          1HG       ARG  33  -7.012   5.023   3.125
  247   2HG   ARG  33          2HG       ARG  33  -5.497   5.019   4.029
  248   1HD   ARG  33          1HD       ARG  33  -7.653   7.047   3.926
  249   2HD   ARG  33          2HD       ARG  33  -6.654   6.528   5.283
  250    HE   ARG  33           HE       ARG  33  -4.825   7.835   4.000
  251   1HH1  ARG  33          1HH1      ARG  33  -8.213   8.703   4.209
  252   2HH1  ARG  33          2HH1      ARG  33  -7.922  10.407   4.007
  253   1HH2  ARG  33          1HH2      ARG  33  -4.442  10.063   3.711
  254   2HH2  ARG  33          2HH2      ARG  33  -5.771  11.182   3.716
  255    H    HIS  34           H        HIS  34  -5.259   5.232  -1.161
  256    HA   HIS  34           HA       HIS  34  -3.850   7.660  -1.910
  257   1HB   HIS  34          1HB       HIS  34  -3.867   4.858  -3.035
  258   2HB   HIS  34          2HB       HIS  34  -3.023   6.191  -3.819
  259    HD1  HIS  34           HD1      HIS  34  -1.488   7.542  -1.694
  260    HD2  HIS  34           HD2      HIS  34  -2.046   3.415  -1.678
  261    HE1  HIS  34           HE1      HIS  34   0.304   6.580  -0.195
  262    H    MET  35           H        MET  35  -6.877   6.445  -2.323
  263    HA   MET  35           HA       MET  35  -7.315   7.364  -5.040
  264   1HB   MET  35          1HB       MET  35  -9.132   6.266  -2.903
  265   2HB   MET  35          2HB       MET  35  -9.748   6.899  -4.423
  266   1HG   MET  35          1HG       MET  35  -8.361   5.253  -5.627
  267   2HG   MET  35          2HG       MET  35  -7.856   4.585  -4.076
  268   1HE   MET  35          1HE       MET  35 -11.078   4.165  -6.755
  269   2HE   MET  35          2HE       MET  35 -12.119   4.888  -5.527
  270   3HE   MET  35          3HE       MET  35 -10.698   5.761  -6.104
  271    H    LEU  36           H        LEU  36  -6.935   8.800  -2.095
  272    HA   LEU  36           HA       LEU  36  -8.379  11.187  -3.001
  273   1HB   LEU  36          1HB       LEU  36  -8.036  11.128  -0.125
  274   2HB   LEU  36          2HB       LEU  36  -9.473  11.466  -1.066
  275    HG   LEU  36           HG       LEU  36  -9.104   8.679  -1.212
  276   1HD1  LEU  36          1HD1      LEU  36  -8.019   8.104   0.640
  277   2HD1  LEU  36          2HD1      LEU  36  -8.020   9.766   1.236
  278   3HD1  LEU  36          3HD1      LEU  36  -9.401   8.713   1.551
  279   1HD2  LEU  36          1HD2      LEU  36 -11.156   8.770   0.329
  280   2HD2  LEU  36          2HD2      LEU  36 -10.999  10.521   0.203
  281   3HD2  LEU  36          3HD2      LEU  36 -11.265   9.554  -1.246
  282    H    VAL  37           H        VAL  37  -5.942  10.870  -3.832
  283    HA   VAL  37           HA       VAL  37  -4.154  12.194  -1.929
  284    HB   VAL  37           HB       VAL  37  -3.698  10.345  -4.228
  285   1HG1  VAL  37          1HG1      VAL  37  -2.390  12.306  -4.870
  286   2HG1  VAL  37          2HG1      VAL  37  -1.613  12.310  -3.286
  287   3HG1  VAL  37          3HG1      VAL  37  -1.348  10.964  -4.397
  288   1HG2  VAL  37          1HG2      VAL  37  -3.570   9.287  -2.163
  289   2HG2  VAL  37          2HG2      VAL  37  -1.883   9.591  -2.579
  290   3HG2  VAL  37          3HG2      VAL  37  -2.706  10.633  -1.418
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1   9.771   1.320 -10.923
    2   2H    GLY   1          2H        GLY   1  10.832   1.174  -9.613
    3   3H    GLY   1          3H        GLY   1  11.365   1.882 -11.060
    4   1HA   GLY   1          1HA       GLY   1  10.952   3.799 -10.012
    5   2HA   GLY   1          2HA       GLY   1   9.306   3.461 -10.530
    6    H    SER   2           H        SER   2   8.573   1.435  -8.837
    7    HA   SER   2           HA       SER   2   7.969   2.870  -6.466
    8   1HB   SER   2          1HB       SER   2   7.557  -0.040  -6.392
    9   2HB   SER   2          2HB       SER   2   6.395   1.271  -6.178
   10    HG   SER   2           HG       SER   2   6.053   1.357  -8.322
   11    H    THR   3           H        THR   3   8.230   1.791  -4.288
   12    HA   THR   3           HA       THR   3   9.489   0.930  -2.588
   13    HB   THR   3           HB       THR   3  11.659   0.182  -4.549
   14    HG1  THR   3           HG1      THR   3   9.274  -1.163  -3.795
   15   1HG2  THR   3          1HG2      THR   3  12.681  -0.850  -2.823
   16   2HG2  THR   3          2HG2      THR   3  11.158  -1.405  -2.129
   17   3HG2  THR   3          3HG2      THR   3  11.715   0.240  -1.832
   18    H    ARG   4           H        ARG   4   9.791   2.839  -1.623
   19    HA   ARG   4           HA       ARG   4  11.747   4.725  -2.620
   20   1HB   ARG   4          1HB       ARG   4  10.596   5.196   0.048
   21   2HB   ARG   4          2HB       ARG   4  10.702   6.272  -1.336
   22   1HG   ARG   4          1HG       ARG   4   8.841   4.416  -2.140
   23   2HG   ARG   4          2HG       ARG   4   8.495   4.615  -0.421
   24   1HD   ARG   4          1HD       ARG   4   7.198   6.179  -1.762
   25   2HD   ARG   4          2HD       ARG   4   8.346   7.033  -0.730
   26    HE   ARG   4           HE       ARG   4   9.443   6.537  -3.314
   27   1HH1  ARG   4          1HH1      ARG   4   7.145   8.594  -1.642
   28   2HH1  ARG   4          2HH1      ARG   4   7.397   9.951  -2.704
   29   1HH2  ARG   4          1HH2      ARG   4   9.773   8.303  -4.709
   30   2HH2  ARG   4          2HH2      ARG   4   8.894   9.779  -4.454
   31    H    GLY   5           H        GLY   5  11.207   3.057   0.496
   32   1HA   GLY   5          1HA       GLY   5  13.615   1.863   0.810
   33   2HA   GLY   5          2HA       GLY   5  13.954   3.522   1.282
   34    H    SER   6           H        SER   6  10.926   1.853   1.811
   35    HA   SER   6           HA       SER   6  11.334   2.050   4.703
   36   1HB   SER   6          1HB       SER   6   8.774   1.160   3.404
   37   2HB   SER   6          2HB       SER   6   9.007   2.009   4.933
   38    HG   SER   6           HG       SER   6   9.180   3.022   2.285
   39    H    THR   7           H        THR   7   9.136  -0.268   4.361
   40    HA   THR   7           HA       THR   7  11.107  -2.401   3.997
   41    HB   THR   7           HB       THR   7   9.266  -3.619   5.564
   42    HG1  THR   7           HG1      THR   7   8.249  -2.220   6.809
   43   1HG2  THR   7          1HG2      THR   7  10.914  -2.804   7.469
   44   2HG2  THR   7          2HG2      THR   7  11.822  -2.191   6.084
   45   3HG2  THR   7          3HG2      THR   7  11.448  -3.913   6.204
   46    H    GLY   8           H        GLY   8  10.408  -2.229   1.753
   47   1HA   GLY   8          1HA       GLY   8   7.719  -2.904   1.020
   48   2HA   GLY   8          2HA       GLY   8   9.091  -2.748  -0.067
   49    H    ILE   9           H        ILE   9   8.249  -4.842   2.633
   50    HA   ILE   9           HA       ILE   9   9.369  -7.180   1.369
   51    HB   ILE   9           HB       ILE   9   7.622  -7.324   3.785
   52   1HG1  ILE   9          1HG1      ILE   9  10.477  -6.659   4.246
   53   2HG1  ILE   9          2HG1      ILE   9   9.423  -5.336   3.755
   54   1HG2  ILE   9          1HG2      ILE   9   9.406  -8.946   4.484
   55   2HG2  ILE   9          2HG2      ILE   9   8.531  -9.393   3.017
   56   3HG2  ILE   9          3HG2      ILE   9  10.149  -8.703   2.902
   57   1HD1  ILE   9          1HD1      ILE   9   9.768  -5.791   6.255
   58   2HD1  ILE   9          2HD1      ILE   9   8.132  -5.493   5.668
   59   3HD1  ILE   9          3HD1      ILE   9   8.658  -7.140   6.010
   60    H    LYS  10           H        LYS  10   7.946  -9.216   1.349
   61    HA   LYS  10           HA       LYS  10   6.143 -10.390   0.648
   62   1HB   LYS  10          1HB       LYS  10   4.866  -7.980   1.816
   63   2HB   LYS  10          2HB       LYS  10   3.873  -8.977   0.760
   64   1HG   LYS  10          1HG       LYS  10   3.593 -10.500   2.343
   65   2HG   LYS  10          2HG       LYS  10   5.330 -10.605   2.633
   66   1HD   LYS  10          1HD       LYS  10   3.942  -8.206   3.670
   67   2HD   LYS  10          2HD       LYS  10   3.592  -9.740   4.474
   68   1HE   LYS  10          1HE       LYS  10   6.434  -9.198   3.926
   69   2HE   LYS  10          2HE       LYS  10   5.672  -8.133   5.106
   70   1HZ   LYS  10          1HZ       LYS  10   5.920 -11.084   5.217
   71   2HZ   LYS  10          2HZ       LYS  10   4.886 -10.209   6.241
   72   3HZ   LYS  10          3HZ       LYS  10   6.560  -9.939   6.294
   73    HA   PRO  11           HA       PRO  11   5.913  -9.620  -3.645
   74   1HB   PRO  11          1HB       PRO  11   3.516 -10.844  -4.240
   75   2HB   PRO  11          2HB       PRO  11   5.047 -11.699  -4.015
   76   1HG   PRO  11          1HG       PRO  11   2.823 -11.250  -2.061
   77   2HG   PRO  11          2HG       PRO  11   3.755 -12.726  -2.369
   78   1HD   PRO  11          1HD       PRO  11   4.300 -11.201  -0.258
   79   2HD   PRO  11          2HD       PRO  11   5.616 -11.940  -1.199
   80    H    PHE  12           H        PHE  12   3.352  -8.577  -1.558
   81    HA   PHE  12           HA       PHE  12   2.393  -6.740  -3.639
   82   1HB   PHE  12          1HB       PHE  12   0.863  -7.841  -1.274
   83   2HB   PHE  12          2HB       PHE  12   0.225  -6.744  -2.499
   84    HD1  PHE  12           HD1      PHE  12   0.079  -9.973  -1.482
   85    HD2  PHE  12           HD2      PHE  12   0.848  -7.736  -5.019
   86    HE1  PHE  12           HE1      PHE  12  -0.603 -11.903  -2.846
   87    HE2  PHE  12           HE2      PHE  12   0.165  -9.663  -6.391
   88    HZ   PHE  12           HZ       PHE  12  -0.561 -11.749  -5.305
   89    H    GLN  13           H        GLN  13   3.977  -5.207  -3.060
   90    HA   GLN  13           HA       GLN  13   3.594  -3.919  -0.455
   91   1HB   GLN  13          1HB       GLN  13   5.753  -3.192  -0.563
   92   2HB   GLN  13          2HB       GLN  13   5.915  -4.576  -1.635
   93   1HG   GLN  13          1HG       GLN  13   5.569  -3.086  -3.565
   94   2HG   GLN  13          2HG       GLN  13   5.494  -1.716  -2.461
   95   1HE2  GLN  13          1HE2      GLN  13   7.634  -4.530  -2.466
   96   2HE2  GLN  13          2HE2      GLN  13   9.104  -3.624  -2.603
   97    H    CYS  14           H        CYS  14   3.344  -1.552  -0.451
   98    HA   CYS  14           HA       CYS  14   1.530  -0.647  -2.463
   99   1HB   CYS  14          1HB       CYS  14   1.307   0.254  -0.215
  100   2HB   CYS  14          2HB       CYS  14   2.949   0.901  -0.280
  101    HA   PRO  15           HA       PRO  15   4.719   0.651  -5.289
  102   1HB   PRO  15          1HB       PRO  15   3.113   1.859  -7.097
  103   2HB   PRO  15          2HB       PRO  15   3.235   0.102  -6.957
  104   1HG   PRO  15          1HG       PRO  15   1.133   1.950  -5.903
  105   2HG   PRO  15          2HG       PRO  15   0.949   0.360  -6.666
  106   1HD   PRO  15          1HD       PRO  15   0.851   0.754  -3.968
  107   2HD   PRO  15          2HD       PRO  15   1.386  -0.766  -4.713
  108    H    ASP  16           H        ASP  16   2.803   2.600  -3.313
  109    HA   ASP  16           HA       ASP  16   4.068   5.073  -4.301
  110   1HB   ASP  16          1HB       ASP  16   1.419   4.550  -3.632
  111   2HB   ASP  16          2HB       ASP  16   2.040   5.418  -2.233
  112    H    CYS  17           H        CYS  17   3.649   3.010  -1.517
  113    HA   CYS  17           HA       CYS  17   5.276   4.844   0.089
  114   1HB   CYS  17          1HB       CYS  17   3.463   2.605   0.984
  115   2HB   CYS  17          2HB       CYS  17   4.331   3.709   2.042
  116    H    ASP  18           H        ASP  18   5.105   1.567  -1.047
  117    HA   ASP  18           HA       ASP  18   6.472  -0.205  -0.998
  118   1HB   ASP  18          1HB       ASP  18   8.706   0.033  -1.174
  119   2HB   ASP  18          2HB       ASP  18   8.264   1.707  -1.398
  120    H    ARG  19           H        ARG  19   4.658  -0.108   0.660
  121    HA   ARG  19           HA       ARG  19   5.581  -0.763   3.341
  122   1HB   ARG  19          1HB       ARG  19   2.949  -0.320   2.029
  123   2HB   ARG  19          2HB       ARG  19   2.981  -1.442   3.381
  124   1HG   ARG  19          1HG       ARG  19   3.262   0.182   4.890
  125   2HG   ARG  19          2HG       ARG  19   4.396   1.064   3.871
  126   1HD   ARG  19          1HD       ARG  19   2.565   2.496   4.027
  127   2HD   ARG  19          2HD       ARG  19   2.349   1.701   2.469
  128    HE   ARG  19           HE       ARG  19   0.380   0.877   3.248
  129   1HH1  ARG  19          1HH1      ARG  19   2.364   1.741   6.004
  130   2HH1  ARG  19          2HH1      ARG  19   1.199   1.206   7.174
  131   1HH2  ARG  19          1HH2      ARG  19  -1.163   0.166   4.811
  132   2HH2  ARG  19          2HH2      ARG  19  -0.795   0.304   6.502
  133    H    SER  20           H        SER  20   3.598  -2.953   3.683
  134    HA   SER  20           HA       SER  20   4.399  -4.925   1.726
  135   1HB   SER  20          1HB       SER  20   5.029  -6.302   4.030
  136   2HB   SER  20          2HB       SER  20   6.181  -5.652   2.865
  137    HG   SER  20           HG       SER  20   6.620  -3.996   4.167
  138    H    PHE  21           H        PHE  21   2.776  -6.189   1.323
  139    HA   PHE  21           HA       PHE  21   0.972  -6.992   3.483
  140   1HB   PHE  21          1HB       PHE  21  -0.054  -6.157   0.765
  141   2HB   PHE  21          2HB       PHE  21  -0.996  -6.521   2.206
  142    HD1  PHE  21           HD1      PHE  21   1.281  -4.074   0.655
  143    HD2  PHE  21           HD2      PHE  21  -1.420  -4.872   3.847
  144    HE1  PHE  21           HE1      PHE  21   1.306  -1.695   1.265
  145    HE2  PHE  21           HE2      PHE  21  -1.393  -2.492   4.469
  146    HZ   PHE  21           HZ       PHE  21  -0.017  -0.907   3.184
  147    H    SER  22           H        SER  22   0.507  -9.119   3.427
  148    HA   SER  22           HA       SER  22   1.807 -10.769   1.477
  149   1HB   SER  22          1HB       SER  22   0.180 -12.471   2.854
  150   2HB   SER  22          2HB       SER  22   1.769 -11.956   3.420
  151    HG   SER  22           HG       SER  22   0.781 -11.074   5.046
  152    H    ARG  23           H        ARG  23  -1.297  -9.353   1.860
  153    HA   ARG  23           HA       ARG  23  -2.350 -10.938  -0.396
  154   1HB   ARG  23          1HB       ARG  23  -4.202  -9.383   1.329
  155   2HB   ARG  23          2HB       ARG  23  -4.453 -10.911   0.502
  156   1HG   ARG  23          1HG       ARG  23  -3.418 -12.136   2.193
  157   2HG   ARG  23          2HG       ARG  23  -2.646 -10.700   2.881
  158   1HD   ARG  23          1HD       ARG  23  -4.487 -11.362   4.287
  159   2HD   ARG  23          2HD       ARG  23  -4.881  -9.842   3.487
  160    HE   ARG  23           HE       ARG  23  -6.502 -10.927   2.224
  161   1HH1  ARG  23          1HH1      ARG  23  -4.736 -13.162   4.250
  162   2HH1  ARG  23          2HH1      ARG  23  -5.843 -14.477   4.009
  163   1HH2  ARG  23          1HH2      ARG  23  -8.019 -12.642   1.945
  164   2HH2  ARG  23          2HH2      ARG  23  -7.732 -14.172   2.732
  165    H    SER  24           H        SER  24  -3.081  -9.918  -2.137
  166    HA   SER  24           HA       SER  24  -2.434  -7.184  -2.605
  167   1HB   SER  24          1HB       SER  24  -3.170  -9.422  -4.150
  168   2HB   SER  24          2HB       SER  24  -4.419  -8.215  -4.429
  169    HG   SER  24           HG       SER  24  -2.514  -8.121  -5.839
  170    H    ASP  25           H        ASP  25  -5.177  -8.900  -1.381
  171    HA   ASP  25           HA       ASP  25  -7.150  -6.917  -1.733
  172   1HB   ASP  25          1HB       ASP  25  -8.334  -8.685  -1.066
  173   2HB   ASP  25          2HB       ASP  25  -6.884  -9.505  -0.541
  174    H    HIS  26           H        HIS  26  -4.806  -7.589   0.812
  175    HA   HIS  26           HA       HIS  26  -5.772  -5.549   2.573
  176   1HB   HIS  26          1HB       HIS  26  -3.577  -7.500   2.570
  177   2HB   HIS  26          2HB       HIS  26  -3.189  -5.975   3.364
  178    HD1  HIS  26           HD1      HIS  26  -3.332  -6.614   5.783
  179    HD2  HIS  26           HD2      HIS  26  -6.643  -7.845   3.590
  180    HE1  HIS  26           HE1      HIS  26  -4.994  -7.450   7.478
  181    HE2  HIS  26           HE2      HIS  26  -7.068  -7.974   6.141
  182    H    LEU  27           H        LEU  27  -3.429  -5.756   0.011
  183    HA   LEU  27           HA       LEU  27  -2.057  -3.328   0.316
  184   1HB   LEU  27          1HB       LEU  27  -1.654  -5.180  -1.384
  185   2HB   LEU  27          2HB       LEU  27  -2.990  -4.512  -2.298
  186    HG   LEU  27           HG       LEU  27  -1.762  -2.822  -3.120
  187   1HD1  LEU  27          1HD1      LEU  27  -0.019  -2.672  -0.675
  188   2HD1  LEU  27          2HD1      LEU  27  -0.218  -1.464  -1.946
  189   3HD1  LEU  27          3HD1      LEU  27  -1.546  -1.804  -0.837
  190   1HD2  LEU  27          1HD2      LEU  27   0.403  -4.678  -2.165
  191   2HD2  LEU  27          2HD2      LEU  27  -0.433  -4.712  -3.718
  192   3HD2  LEU  27          3HD2      LEU  27   0.649  -3.375  -3.328
  193    H    ALA  28           H        ALA  28  -4.900  -4.068  -1.669
  194    HA   ALA  28           HA       ALA  28  -5.523  -1.516  -2.493
  195   1HB   ALA  28          1HB       ALA  28  -7.980  -2.613  -2.399
  196   2HB   ALA  28          2HB       ALA  28  -6.788  -2.976  -3.647
  197   3HB   ALA  28          3HB       ALA  28  -6.984  -4.063  -2.269
  198    H    LEU  29           H        LEU  29  -6.455  -3.128   0.519
  199    HA   LEU  29           HA       LEU  29  -8.358  -1.308   1.424
  200   1HB   LEU  29          1HB       LEU  29  -6.431  -3.080   2.883
  201   2HB   LEU  29          2HB       LEU  29  -7.567  -2.051   3.734
  202    HG   LEU  29           HG       LEU  29  -8.533  -3.995   1.668
  203   1HD1  LEU  29          1HD1      LEU  29  -7.413  -5.506   3.001
  204   2HD1  LEU  29          2HD1      LEU  29  -7.652  -4.554   4.467
  205   3HD1  LEU  29          3HD1      LEU  29  -9.002  -5.447   3.765
  206   1HD2  LEU  29          1HD2      LEU  29  -9.713  -2.488   3.973
  207   2HD2  LEU  29          2HD2      LEU  29 -10.243  -2.547   2.290
  208   3HD2  LEU  29          3HD2      LEU  29 -10.492  -3.940   3.345
  209    H    HIS  30           H        HIS  30  -4.843  -1.247   1.745
  210    HA   HIS  30           HA       HIS  30  -4.821   1.219   3.232
  211   1HB   HIS  30          1HB       HIS  30  -2.887   0.028   3.688
  212   2HB   HIS  30          2HB       HIS  30  -2.734  -0.572   2.040
  213    HD1  HIS  30           HD1      HIS  30  -2.179   2.633   4.024
  214    HD2  HIS  30           HD2      HIS  30  -0.996   0.800   0.475
  215    HE1  HIS  30           HE1      HIS  30  -0.435   4.144   2.980
  216    H    ARG  31           H        ARG  31  -4.420   0.218  -0.121
  217    HA   ARG  31           HA       ARG  31  -3.492   2.716  -1.040
  218   1HB   ARG  31          1HB       ARG  31  -4.612   0.308  -2.445
  219   2HB   ARG  31          2HB       ARG  31  -4.118   1.753  -3.319
  220   1HG   ARG  31          1HG       ARG  31  -1.897   1.433  -1.964
  221   2HG   ARG  31          2HG       ARG  31  -2.461  -0.234  -1.848
  222   1HD   ARG  31          1HD       ARG  31  -1.072  -0.124  -3.758
  223   2HD   ARG  31          2HD       ARG  31  -2.733  -0.194  -4.352
  224    HE   ARG  31           HE       ARG  31  -1.034   2.214  -4.301
  225   1HH1  ARG  31          1HH1      ARG  31  -3.813   0.460  -5.508
  226   2HH1  ARG  31          2HH1      ARG  31  -4.115   1.585  -6.801
  227   1HH2  ARG  31          1HH2      ARG  31  -1.439   3.698  -5.992
  228   2HH2  ARG  31          2HH2      ARG  31  -2.775   3.420  -7.076
  229    H    LYS  32           H        LYS  32  -6.474   1.993   0.097
  230    HA   LYS  32           HA       LYS  32  -8.222   3.293  -1.704
  231   1HB   LYS  32          1HB       LYS  32  -8.324   2.269   1.009
  232   2HB   LYS  32          2HB       LYS  32  -9.193   3.791   0.871
  233   1HG   LYS  32          1HG       LYS  32 -10.572   1.735   0.514
  234   2HG   LYS  32          2HG       LYS  32 -10.636   2.914  -0.797
  235   1HD   LYS  32          1HD       LYS  32  -9.738   1.483  -2.267
  236   2HD   LYS  32          2HD       LYS  32  -8.506   0.946  -1.119
  237   1HE   LYS  32          1HE       LYS  32  -9.614  -0.970  -0.932
  238   2HE   LYS  32          2HE       LYS  32 -10.925  -0.078  -0.162
  239   1HZ   LYS  32          1HZ       LYS  32 -11.564   0.407  -2.635
  240   2HZ   LYS  32          2HZ       LYS  32 -12.028  -1.041  -1.884
  241   3HZ   LYS  32          3HZ       LYS  32 -10.688  -1.018  -2.929
  242    H    ARG  33           H        ARG  33  -5.989   4.409   0.723
  243    HA   ARG  33           HA       ARG  33  -6.908   7.099   0.821
  244   1HB   ARG  33          1HB       ARG  33  -4.748   5.528   1.971
  245   2HB   ARG  33          2HB       ARG  33  -4.221   7.144   1.521
  246   1HG   ARG  33          1HG       ARG  33  -6.421   6.381   3.417
  247   2HG   ARG  33          2HG       ARG  33  -4.919   7.231   3.780
  248   1HD   ARG  33          1HD       ARG  33  -6.081   9.117   3.561
  249   2HD   ARG  33          2HD       ARG  33  -6.093   8.788   1.828
  250    HE   ARG  33           HE       ARG  33  -8.214   7.421   3.138
  251   1HH1  ARG  33          1HH1      ARG  33  -7.232  10.530   1.876
  252   2HH1  ARG  33          2HH1      ARG  33  -8.847  11.165   1.816
  253   1HH2  ARG  33          1HH2      ARG  33 -10.349   8.238   3.058
  254   2HH2  ARG  33          2HH2      ARG  33 -10.635   9.847   2.453
  255    H    HIS  34           H        HIS  34  -5.113   5.313  -1.425
  256    HA   HIS  34           HA       HIS  34  -3.925   7.711  -2.626
  257   1HB   HIS  34          1HB       HIS  34  -3.636   4.796  -3.403
  258   2HB   HIS  34          2HB       HIS  34  -2.782   6.140  -4.150
  259    HD1  HIS  34           HD1      HIS  34  -1.277   7.569  -2.210
  260    HD2  HIS  34           HD2      HIS  34  -2.159   3.559  -1.558
  261    HE1  HIS  34           HE1      HIS  34   0.359   6.747  -0.464
  262    H    MET  35           H        MET  35  -6.781   6.126  -2.626
  263    HA   MET  35           HA       MET  35  -7.312   6.656  -5.475
  264   1HB   MET  35          1HB       MET  35  -8.676   4.837  -3.492
  265   2HB   MET  35          2HB       MET  35  -9.367   5.223  -5.062
  266   1HG   MET  35          1HG       MET  35  -6.873   4.440  -5.772
  267   2HG   MET  35          2HG       MET  35  -7.161   3.430  -4.356
  268   1HE   MET  35          1HE       MET  35  -8.547   4.219  -8.114
  269   2HE   MET  35          2HE       MET  35  -6.997   3.452  -7.766
  270   3HE   MET  35          3HE       MET  35  -8.308   2.507  -8.469
  271    H    LEU  36           H        LEU  36  -8.065   7.542  -2.247
  272    HA   LEU  36           HA       LEU  36 -10.147   9.382  -3.211
  273   1HB   LEU  36          1HB       LEU  36  -9.600   8.591  -0.347
  274   2HB   LEU  36          2HB       LEU  36 -10.954   9.532  -0.941
  275    HG   LEU  36           HG       LEU  36 -10.511   6.663  -1.742
  276   1HD1  LEU  36          1HD1      LEU  36 -10.709   6.653   0.647
  277   2HD1  LEU  36          2HD1      LEU  36 -12.085   7.757   0.584
  278   3HD1  LEU  36          3HD1      LEU  36 -12.239   6.115  -0.046
  279   1HD2  LEU  36          1HD2      LEU  36 -12.006   8.199  -3.091
  280   2HD2  LEU  36          2HD2      LEU  36 -12.747   6.718  -2.489
  281   3HD2  LEU  36          3HD2      LEU  36 -13.062   8.253  -1.679
  282    H    VAL  37           H        VAL  37  -7.764  10.110  -3.931
  283    HA   VAL  37           HA       VAL  37  -6.411  11.613  -1.878
  284    HB   VAL  37           HB       VAL  37  -5.092  12.393  -4.072
  285   1HG1  VAL  37          1HG1      VAL  37  -4.098   9.807  -3.603
  286   2HG1  VAL  37          2HG1      VAL  37  -3.548  11.328  -2.901
  287   3HG1  VAL  37          3HG1      VAL  37  -4.781  10.372  -2.076
  288   1HG2  VAL  37          1HG2      VAL  37  -5.945   9.629  -4.879
  289   2HG2  VAL  37          2HG2      VAL  37  -6.776  11.069  -5.474
  290   3HG2  VAL  37          3HG2      VAL  37  -5.062  10.834  -5.817
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1   7.139   8.968  -2.511
    2   2H    GLY   1          2H        GLY   1   5.762   7.998  -2.377
    3   3H    GLY   1          3H        GLY   1   7.190   7.352  -3.016
    4   1HA   GLY   1          1HA       GLY   1   7.695   8.427  -0.458
    5   2HA   GLY   1          2HA       GLY   1   6.340   7.306  -0.384
    6    H    SER   2           H        SER   2   9.326   7.297   0.386
    7    HA   SER   2           HA       SER   2  10.110   4.853  -1.044
    8   1HB   SER   2          1HB       SER   2  12.014   6.198   0.789
    9   2HB   SER   2          2HB       SER   2  12.281   5.518  -0.818
   10    HG   SER   2           HG       SER   2  10.707   7.521  -1.253
   11    H    THR   3           H        THR   3  11.621   3.469   0.462
   12    HA   THR   3           HA       THR   3  10.245   1.928   2.152
   13    HB   THR   3           HB       THR   3  13.125   2.668   2.661
   14    HG1  THR   3           HG1      THR   3  13.022   2.152   0.510
   15   1HG2  THR   3          1HG2      THR   3  11.509   0.931   4.040
   16   2HG2  THR   3          2HG2      THR   3  13.269   0.842   3.962
   17   3HG2  THR   3          3HG2      THR   3  12.287  -0.129   2.865
   18    H    ARG   4           H        ARG   4   9.601   1.821   4.220
   19    HA   ARG   4           HA       ARG   4  10.380   3.909   6.112
   20   1HB   ARG   4          1HB       ARG   4   7.869   4.022   6.751
   21   2HB   ARG   4          2HB       ARG   4   8.428   4.940   5.360
   22   1HG   ARG   4          1HG       ARG   4   7.714   2.846   4.007
   23   2HG   ARG   4          2HG       ARG   4   6.761   2.463   5.443
   24   1HD   ARG   4          1HD       ARG   4   5.420   3.695   3.833
   25   2HD   ARG   4          2HD       ARG   4   5.670   4.656   5.291
   26    HE   ARG   4           HE       ARG   4   7.628   5.208   3.283
   27   1HH1  ARG   4          1HH1      ARG   4   4.341   5.903   4.261
   28   2HH1  ARG   4          2HH1      ARG   4   4.295   7.449   3.467
   29   1HH2  ARG   4          1HH2      ARG   4   7.586   7.241   2.257
   30   2HH2  ARG   4          2HH2      ARG   4   6.144   8.207   2.309
   31    H    GLY   5           H        GLY   5  11.259   1.325   6.105
   32   1HA   GLY   5          1HA       GLY   5  11.443   0.249   8.358
   33   2HA   GLY   5          2HA       GLY   5   9.698   0.074   8.278
   34    H    SER   6           H        SER   6   9.916  -0.572   5.345
   35    HA   SER   6           HA       SER   6  11.008  -3.296   5.596
   36   1HB   SER   6          1HB       SER   6   8.528  -2.974   4.016
   37   2HB   SER   6          2HB       SER   6   9.012  -4.270   5.110
   38    HG   SER   6           HG       SER   6   8.422  -2.991   6.859
   39    H    THR   7           H        THR   7  12.453  -3.675   4.054
   40    HA   THR   7           HA       THR   7  12.662  -1.907   1.802
   41    HB   THR   7           HB       THR   7  14.584  -3.737   1.346
   42    HG1  THR   7           HG1      THR   7  15.267  -4.145   3.710
   43   1HG2  THR   7          1HG2      THR   7  14.374  -1.203   2.699
   44   2HG2  THR   7          2HG2      THR   7  15.697  -1.840   1.723
   45   3HG2  THR   7          3HG2      THR   7  15.624  -2.197   3.449
   46    H    GLY   8           H        GLY   8  10.562  -2.585   0.865
   47   1HA   GLY   8          1HA       GLY   8   9.381  -3.605  -0.803
   48   2HA   GLY   8          2HA       GLY   8  10.946  -4.048  -1.462
   49    H    ILE   9           H        ILE   9   9.470  -5.041   1.546
   50    HA   ILE   9           HA       ILE   9   9.943  -7.837   0.933
   51    HB   ILE   9           HB       ILE   9   8.401  -6.855   3.317
   52   1HG1  ILE   9          1HG1      ILE   9  11.418  -6.983   3.154
   53   2HG1  ILE   9          2HG1      ILE   9  10.498  -5.488   3.030
   54   1HG2  ILE   9          1HG2      ILE   9   8.515  -9.002   3.881
   55   2HG2  ILE   9          2HG2      ILE   9   9.480  -9.353   2.448
   56   3HG2  ILE   9          3HG2      ILE   9  10.273  -8.872   3.947
   57   1HD1  ILE   9          1HD1      ILE   9  11.382  -6.871   5.354
   58   2HD1  ILE   9          2HD1      ILE   9  10.572  -5.310   5.229
   59   3HD1  ILE   9          3HD1      ILE   9   9.620  -6.789   5.365
   60    H    LYS  10           H        LYS  10   8.150  -9.432   1.180
   61    HA   LYS  10           HA       LYS  10   6.131 -10.313   0.671
   62   1HB   LYS  10          1HB       LYS  10   5.379  -7.577   1.564
   63   2HB   LYS  10          2HB       LYS  10   4.159  -8.532   0.729
   64   1HG   LYS  10          1HG       LYS  10   3.847  -9.883   2.479
   65   2HG   LYS  10          2HG       LYS  10   5.574 -10.003   2.818
   66   1HD   LYS  10          1HD       LYS  10   4.382  -7.385   3.395
   67   2HD   LYS  10          2HD       LYS  10   3.772  -8.708   4.387
   68   1HE   LYS  10          1HE       LYS  10   6.628  -8.885   4.153
   69   2HE   LYS  10          2HE       LYS  10   6.166  -7.276   4.704
   70   1HZ   LYS  10          1HZ       LYS  10   4.614  -9.087   6.119
   71   2HZ   LYS  10          2HZ       LYS  10   5.878  -8.127   6.711
   72   3HZ   LYS  10          3HZ       LYS  10   6.192  -9.697   6.147
   73    HA   PRO  11           HA       PRO  11   5.780  -9.746  -3.658
   74   1HB   PRO  11          1HB       PRO  11   3.563 -11.206  -4.180
   75   2HB   PRO  11          2HB       PRO  11   5.094 -11.947  -3.697
   76   1HG   PRO  11          1HG       PRO  11   2.686 -11.313  -2.028
   77   2HG   PRO  11          2HG       PRO  11   3.666 -12.793  -2.055
   78   1HD   PRO  11          1HD       PRO  11   3.978 -10.894  -0.159
   79   2HD   PRO  11          2HD       PRO  11   5.338 -11.860  -0.764
   80    H    PHE  12           H        PHE  12   3.380  -8.554  -1.538
   81    HA   PHE  12           HA       PHE  12   2.197  -6.970  -3.715
   82   1HB   PHE  12          1HB       PHE  12   0.765  -7.934  -1.229
   83   2HB   PHE  12          2HB       PHE  12   0.063  -6.992  -2.540
   84    HD1  PHE  12           HD1      PHE  12   0.538  -8.172  -4.951
   85    HD2  PHE  12           HD2      PHE  12   0.190 -10.137  -1.195
   86    HE1  PHE  12           HE1      PHE  12  -0.103 -10.250  -6.101
   87    HE2  PHE  12           HE2      PHE  12  -0.452 -12.217  -2.336
   88    HZ   PHE  12           HZ       PHE  12  -0.596 -12.279  -4.793
   89    H    GLN  13           H        GLN  13   3.598  -5.247  -3.340
   90    HA   GLN  13           HA       GLN  13   3.351  -3.986  -0.695
   91   1HB   GLN  13          1HB       GLN  13   5.583  -4.355  -2.522
   92   2HB   GLN  13          2HB       GLN  13   5.391  -2.677  -2.024
   93   1HG   GLN  13          1HG       GLN  13   5.122  -3.836   0.340
   94   2HG   GLN  13          2HG       GLN  13   6.099  -5.053  -0.446
   95   1HE2  GLN  13          1HE2      GLN  13   7.263  -2.663  -2.065
   96   2HE2  GLN  13          2HE2      GLN  13   8.448  -2.008  -0.983
   97    H    CYS  14           H        CYS  14   3.405  -1.637  -0.653
   98    HA   CYS  14           HA       CYS  14   1.591  -0.504  -2.596
   99   1HB   CYS  14          1HB       CYS  14   1.408   0.276  -0.284
  100   2HB   CYS  14          2HB       CYS  14   3.074   0.856  -0.336
  101    HA   PRO  15           HA       PRO  15   5.010   0.684  -5.228
  102   1HB   PRO  15          1HB       PRO  15   3.514   1.897  -7.128
  103   2HB   PRO  15          2HB       PRO  15   3.641   0.139  -6.996
  104   1HG   PRO  15          1HG       PRO  15   1.458   1.961  -6.062
  105   2HG   PRO  15          2HG       PRO  15   1.337   0.377  -6.851
  106   1HD   PRO  15          1HD       PRO  15   1.055   0.742  -4.167
  107   2HD   PRO  15          2HD       PRO  15   1.662  -0.762  -4.889
  108    H    ASP  16           H        ASP  16   3.020   2.584  -3.309
  109    HA   ASP  16           HA       ASP  16   4.287   5.072  -4.251
  110   1HB   ASP  16          1HB       ASP  16   1.748   4.890  -4.219
  111   2HB   ASP  16          2HB       ASP  16   1.868   4.895  -2.462
  112    H    CYS  17           H        CYS  17   3.767   3.056  -1.415
  113    HA   CYS  17           HA       CYS  17   5.316   4.992   0.153
  114   1HB   CYS  17          1HB       CYS  17   3.528   2.783   1.161
  115   2HB   CYS  17          2HB       CYS  17   4.337   3.995   2.144
  116    H    ASP  18           H        ASP  18   5.191   1.660  -0.818
  117    HA   ASP  18           HA       ASP  18   6.757  -0.038  -0.697
  118   1HB   ASP  18          1HB       ASP  18   8.400   2.118   0.266
  119   2HB   ASP  18          2HB       ASP  18   8.619   0.696   1.284
  120    H    ARG  19           H        ARG  19   4.414   0.483   0.726
  121    HA   ARG  19           HA       ARG  19   4.751  -0.670   3.380
  122   1HB   ARG  19          1HB       ARG  19   2.285  -0.024   1.747
  123   2HB   ARG  19          2HB       ARG  19   2.259  -0.664   3.384
  124   1HG   ARG  19          1HG       ARG  19   3.880   1.563   3.573
  125   2HG   ARG  19          2HG       ARG  19   2.601   2.047   2.454
  126   1HD   ARG  19          1HD       ARG  19   2.418   1.210   5.303
  127   2HD   ARG  19          2HD       ARG  19   1.654   2.568   4.483
  128    HE   ARG  19           HE       ARG  19   0.363   0.606   3.317
  129   1HH1  ARG  19          1HH1      ARG  19   1.332   0.891   6.678
  130   2HH1  ARG  19          2HH1      ARG  19   0.016  -0.081   7.278
  131   1HH2  ARG  19          1HH2      ARG  19  -1.426  -0.619   4.146
  132   2HH2  ARG  19          2HH2      ARG  19  -1.568  -0.902   5.852
  133    H    SER  20           H        SER  20   4.216  -2.844   3.817
  134    HA   SER  20           HA       SER  20   4.046  -4.450   1.352
  135   1HB   SER  20          1HB       SER  20   5.183  -5.838   3.636
  136   2HB   SER  20          2HB       SER  20   5.812  -5.652   1.999
  137    HG   SER  20           HG       SER  20   6.680  -3.672   2.557
  138    H    PHE  21           H        PHE  21   2.710  -6.103   1.154
  139    HA   PHE  21           HA       PHE  21   1.087  -6.932   3.461
  140   1HB   PHE  21          1HB       PHE  21  -0.127  -6.447   0.741
  141   2HB   PHE  21          2HB       PHE  21  -0.956  -6.683   2.276
  142    HD1  PHE  21           HD1      PHE  21   0.921  -4.310   0.204
  143    HD2  PHE  21           HD2      PHE  21  -1.237  -4.887   3.821
  144    HE1  PHE  21           HE1      PHE  21   0.861  -1.877   0.551
  145    HE2  PHE  21           HE2      PHE  21  -1.306  -2.460   4.173
  146    HZ   PHE  21           HZ       PHE  21  -0.250  -0.951   2.544
  147    H    SER  22           H        SER  22   0.512  -9.071   3.476
  148    HA   SER  22           HA       SER  22   1.829 -10.790   1.544
  149   1HB   SER  22          1HB       SER  22   0.183 -12.258   3.363
  150   2HB   SER  22          2HB       SER  22   1.945 -12.159   3.314
  151    HG   SER  22           HG       SER  22   1.935 -10.630   4.830
  152    H    ARG  23           H        ARG  23  -1.256  -9.444   2.149
  153    HA   ARG  23           HA       ARG  23  -2.506 -11.233   0.160
  154   1HB   ARG  23          1HB       ARG  23  -3.984  -9.455   2.096
  155   2HB   ARG  23          2HB       ARG  23  -4.631 -10.776   1.134
  156   1HG   ARG  23          1HG       ARG  23  -2.803 -12.108   2.590
  157   2HG   ARG  23          2HG       ARG  23  -3.228 -10.820   3.720
  158   1HD   ARG  23          1HD       ARG  23  -5.097 -12.785   2.410
  159   2HD   ARG  23          2HD       ARG  23  -4.646 -12.721   4.114
  160    HE   ARG  23           HE       ARG  23  -6.508 -10.977   2.715
  161   1HH1  ARG  23          1HH1      ARG  23  -4.662 -11.557   5.645
  162   2HH1  ARG  23          2HH1      ARG  23  -5.748 -10.638   6.651
  163   1HH2  ARG  23          1HH2      ARG  23  -7.934  -9.798   4.036
  164   2HH2  ARG  23          2HH2      ARG  23  -7.602  -9.635   5.740
  165    H    SER  24           H        SER  24  -3.140 -10.491  -1.639
  166    HA   SER  24           HA       SER  24  -2.387  -7.986  -2.601
  167   1HB   SER  24          1HB       SER  24  -4.420  -9.011  -4.241
  168   2HB   SER  24          2HB       SER  24  -2.681  -9.259  -4.410
  169    HG   SER  24           HG       SER  24  -4.413 -11.117  -3.975
  170    H    ASP  25           H        ASP  25  -5.261  -9.084  -1.002
  171    HA   ASP  25           HA       ASP  25  -6.955  -6.919  -1.791
  172   1HB   ASP  25          1HB       ASP  25  -7.831  -9.080  -0.980
  173   2HB   ASP  25          2HB       ASP  25  -7.150  -8.747   0.609
  174    H    HIS  26           H        HIS  26  -4.796  -7.581   0.883
  175    HA   HIS  26           HA       HIS  26  -5.489  -5.402   2.532
  176   1HB   HIS  26          1HB       HIS  26  -3.357  -7.391   2.427
  177   2HB   HIS  26          2HB       HIS  26  -2.792  -5.827   3.009
  178    HD1  HIS  26           HD1      HIS  26  -2.728  -5.962   5.497
  179    HD2  HIS  26           HD2      HIS  26  -6.120  -7.776   3.904
  180    HE1  HIS  26           HE1      HIS  26  -4.124  -6.659   7.472
  181    HE2  HIS  26           HE2      HIS  26  -6.242  -7.605   6.482
  182    H    LEU  27           H        LEU  27  -3.430  -5.697  -0.260
  183    HA   LEU  27           HA       LEU  27  -2.005  -3.285  -0.147
  184   1HB   LEU  27          1HB       LEU  27  -1.828  -5.199  -1.845
  185   2HB   LEU  27          2HB       LEU  27  -3.185  -4.452  -2.660
  186    HG   LEU  27           HG       LEU  27  -1.924  -2.825  -3.563
  187   1HD1  LEU  27          1HD1      LEU  27  -0.343  -1.500  -2.500
  188   2HD1  LEU  27          2HD1      LEU  27  -1.466  -1.937  -1.212
  189   3HD1  LEU  27          3HD1      LEU  27   0.085  -2.767  -1.348
  190   1HD2  LEU  27          1HD2      LEU  27   0.293  -4.701  -2.777
  191   2HD2  LEU  27          2HD2      LEU  27  -0.771  -4.883  -4.173
  192   3HD2  LEU  27          3HD2      LEU  27   0.339  -3.514  -4.084
  193    H    ALA  28           H        ALA  28  -4.972  -3.965  -1.967
  194    HA   ALA  28           HA       ALA  28  -5.587  -1.379  -2.686
  195   1HB   ALA  28          1HB       ALA  28  -7.498  -3.650  -2.176
  196   2HB   ALA  28          2HB       ALA  28  -7.855  -2.190  -3.100
  197   3HB   ALA  28          3HB       ALA  28  -6.638  -3.327  -3.681
  198    H    LEU  29           H        LEU  29  -6.471  -3.128   0.255
  199    HA   LEU  29           HA       LEU  29  -8.303  -1.349   1.342
  200   1HB   LEU  29          1HB       LEU  29  -6.266  -3.112   2.677
  201   2HB   LEU  29          2HB       LEU  29  -7.471  -2.201   3.563
  202    HG   LEU  29           HG       LEU  29  -8.110  -4.286   1.481
  203   1HD1  LEU  29          1HD1      LEU  29  -7.187  -4.629   4.114
  204   2HD1  LEU  29          2HD1      LEU  29  -8.919  -4.966   4.135
  205   3HD1  LEU  29          3HD1      LEU  29  -7.862  -5.847   3.031
  206   1HD2  LEU  29          1HD2      LEU  29  -9.964  -2.914   1.546
  207   2HD2  LEU  29          2HD2      LEU  29 -10.352  -4.100   2.792
  208   3HD2  LEU  29          3HD2      LEU  29  -9.739  -2.512   3.248
  209    H    HIS  30           H        HIS  30  -4.769  -1.334   1.609
  210    HA   HIS  30           HA       HIS  30  -4.700   1.060   3.196
  211   1HB   HIS  30          1HB       HIS  30  -2.761  -0.187   3.503
  212   2HB   HIS  30          2HB       HIS  30  -2.658  -0.640   1.806
  213    HD1  HIS  30           HD1      HIS  30  -2.184   2.508   3.931
  214    HD2  HIS  30           HD2      HIS  30  -0.810   0.744   0.422
  215    HE1  HIS  30           HE1      HIS  30  -0.407   4.055   2.995
  216    H    ARG  31           H        ARG  31  -4.426   0.247  -0.206
  217    HA   ARG  31           HA       ARG  31  -3.510   2.803  -0.995
  218   1HB   ARG  31          1HB       ARG  31  -4.681   0.531  -2.598
  219   2HB   ARG  31          2HB       ARG  31  -4.018   2.000  -3.308
  220   1HG   ARG  31          1HG       ARG  31  -1.897   1.423  -1.960
  221   2HG   ARG  31          2HG       ARG  31  -2.604  -0.186  -1.834
  222   1HD   ARG  31          1HD       ARG  31  -1.028   0.006  -3.708
  223   2HD   ARG  31          2HD       ARG  31  -2.666  -0.377  -4.251
  224    HE   ARG  31           HE       ARG  31  -1.324   2.229  -4.487
  225   1HH1  ARG  31          1HH1      ARG  31  -3.829  -0.024  -5.465
  226   2HH1  ARG  31          2HH1      ARG  31  -4.385   0.976  -6.773
  227   1HH2  ARG  31          1HH2      ARG  31  -2.056   3.539  -6.213
  228   2HH2  ARG  31          2HH2      ARG  31  -3.387   2.995  -7.200
  229    H    LYS  32           H        LYS  32  -6.346   2.159   0.305
  230    HA   LYS  32           HA       LYS  32  -8.199   3.453  -1.438
  231   1HB   LYS  32          1HB       LYS  32  -8.241   2.263   1.187
  232   2HB   LYS  32          2HB       LYS  32  -9.047   3.825   1.214
  233   1HG   LYS  32          1HG       LYS  32 -10.622   2.033   0.781
  234   2HG   LYS  32          2HG       LYS  32 -10.498   3.113  -0.611
  235   1HD   LYS  32          1HD       LYS  32  -9.987   1.382  -1.899
  236   2HD   LYS  32          2HD       LYS  32  -8.545   1.084  -0.922
  237   1HE   LYS  32          1HE       LYS  32  -9.479  -0.652   0.145
  238   2HE   LYS  32          2HE       LYS  32 -11.040   0.156   0.296
  239   1HZ   LYS  32          1HZ       LYS  32 -10.386  -0.623  -2.402
  240   2HZ   LYS  32          2HZ       LYS  32 -11.817  -0.856  -1.519
  241   3HZ   LYS  32          3HZ       LYS  32 -10.522  -1.934  -1.333
  242    H    ARG  33           H        ARG  33  -5.790   4.439   0.819
  243    HA   ARG  33           HA       ARG  33  -6.678   7.198   0.944
  244   1HB   ARG  33          1HB       ARG  33  -4.735   5.544   2.312
  245   2HB   ARG  33          2HB       ARG  33  -4.020   7.064   1.801
  246   1HG   ARG  33          1HG       ARG  33  -6.338   6.607   3.644
  247   2HG   ARG  33          2HG       ARG  33  -4.819   7.440   3.969
  248   1HD   ARG  33          1HD       ARG  33  -6.863   8.408   1.989
  249   2HD   ARG  33          2HD       ARG  33  -6.820   8.925   3.672
  250    HE   ARG  33           HE       ARG  33  -5.145   9.836   1.542
  251   1HH1  ARG  33          1HH1      ARG  33  -5.216   9.272   5.009
  252   2HH1  ARG  33          2HH1      ARG  33  -3.989  10.453   5.351
  253   1HH2  ARG  33          1HH2      ARG  33  -3.565  11.392   1.987
  254   2HH2  ARG  33          2HH2      ARG  33  -3.071  11.686   3.635
  255    H    HIS  34           H        HIS  34  -5.534   5.449  -1.476
  256    HA   HIS  34           HA       HIS  34  -3.842   7.617  -2.534
  257   1HB   HIS  34          1HB       HIS  34  -3.804   4.653  -3.134
  258   2HB   HIS  34          2HB       HIS  34  -2.915   5.848  -4.071
  259    HD1  HIS  34           HD1      HIS  34  -1.388   7.469  -2.215
  260    HD2  HIS  34           HD2      HIS  34  -2.176   3.469  -1.390
  261    HE1  HIS  34           HE1      HIS  34   0.369   6.715  -0.554
  262    H    MET  35           H        MET  35  -6.748   7.438  -2.527
  263    HA   MET  35           HA       MET  35  -7.324   6.982  -5.375
  264   1HB   MET  35          1HB       MET  35  -9.136   7.109  -2.966
  265   2HB   MET  35          2HB       MET  35  -9.728   7.028  -4.619
  266   1HG   MET  35          1HG       MET  35  -8.409   4.895  -4.856
  267   2HG   MET  35          2HG       MET  35  -8.157   4.962  -3.113
  268   1HE   MET  35          1HE       MET  35 -10.126   3.118  -5.609
  269   2HE   MET  35          2HE       MET  35  -9.248   2.457  -4.231
  270   3HE   MET  35          3HE       MET  35 -10.996   2.243  -4.348
  271    H    LEU  36           H        LEU  36  -7.647   9.317  -2.754
  272    HA   LEU  36           HA       LEU  36  -7.753  11.458  -4.717
  273   1HB   LEU  36          1HB       LEU  36  -9.585  11.941  -2.478
  274   2HB   LEU  36          2HB       LEU  36  -9.773  12.321  -4.177
  275    HG   LEU  36           HG       LEU  36 -10.091   9.581  -4.128
  276   1HD1  LEU  36          1HD1      LEU  36 -10.234  10.177  -1.509
  277   2HD1  LEU  36          2HD1      LEU  36 -11.917  10.429  -1.976
  278   3HD1  LEU  36          3HD1      LEU  36 -11.147   8.870  -2.264
  279   1HD2  LEU  36          1HD2      LEU  36 -12.420  11.424  -3.792
  280   2HD2  LEU  36          2HD2      LEU  36 -11.392  11.543  -5.220
  281   3HD2  LEU  36          3HD2      LEU  36 -12.235  10.036  -4.864
  282    H    VAL  37           H        VAL  37  -5.609  10.786  -3.427
  283    HA   VAL  37           HA       VAL  37  -3.905  11.629  -2.232
  284    HB   VAL  37           HB       VAL  37  -5.547  13.877  -2.509
  285   1HG1  VAL  37          1HG1      VAL  37  -4.668  13.540   0.348
  286   2HG1  VAL  37          2HG1      VAL  37  -5.008  15.112  -0.377
  287   3HG1  VAL  37          3HG1      VAL  37  -6.283  13.899  -0.262
  288   1HG2  VAL  37          1HG2      VAL  37  -3.174  14.831  -1.521
  289   2HG2  VAL  37          2HG2      VAL  37  -2.739  13.228  -2.117
  290   3HG2  VAL  37          3HG2      VAL  37  -3.496  14.396  -3.199
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  14.977   4.267  -5.955
    2   2H    GLY   1          2H        GLY   1  13.901   4.136  -4.655
    3   3H    GLY   1          3H        GLY   1  13.629   5.291  -5.865
    4   1HA   GLY   1          1HA       GLY   1  12.533   3.862  -7.130
    5   2HA   GLY   1          2HA       GLY   1  13.847   2.700  -6.998
    6    H    SER   2           H        SER   2  11.394   1.672  -7.100
    7    HA   SER   2           HA       SER   2  10.213   1.381  -4.497
    8   1HB   SER   2          1HB       SER   2   9.504  -0.557  -6.618
    9   2HB   SER   2          2HB       SER   2   8.459   0.443  -5.604
   10    HG   SER   2           HG       SER   2   9.231   0.859  -8.133
   11    H    THR   3           H        THR   3  10.170  -0.466  -3.213
   12    HA   THR   3           HA       THR   3  11.027  -2.286  -2.164
   13    HB   THR   3           HB       THR   3  12.004  -3.391  -4.776
   14    HG1  THR   3           HG1      THR   3   9.489  -2.491  -4.245
   15   1HG2  THR   3          1HG2      THR   3  12.168  -4.605  -2.537
   16   2HG2  THR   3          2HG2      THR   3  11.405  -5.485  -3.859
   17   3HG2  THR   3          3HG2      THR   3  10.410  -4.740  -2.607
   18    H    ARG   4           H        ARG   4  12.638  -0.182  -1.980
   19    HA   ARG   4           HA       ARG   4  15.340  -1.013  -2.713
   20   1HB   ARG   4          1HB       ARG   4  16.035   1.232  -2.043
   21   2HB   ARG   4          2HB       ARG   4  14.708   1.311  -3.192
   22   1HG   ARG   4          1HG       ARG   4  13.627   2.633  -1.791
   23   2HG   ARG   4          2HG       ARG   4  13.534   1.297  -0.643
   24   1HD   ARG   4          1HD       ARG   4  16.085   2.175  -0.254
   25   2HD   ARG   4          2HD       ARG   4  15.249   3.679  -0.636
   26    HE   ARG   4           HE       ARG   4  13.866   2.081   1.310
   27   1HH1  ARG   4          1HH1      ARG   4  16.421   4.443   0.870
   28   2HH1  ARG   4          2HH1      ARG   4  16.303   5.057   2.498
   29   1HH2  ARG   4          1HH2      ARG   4  13.713   2.883   3.433
   30   2HH2  ARG   4          2HH2      ARG   4  14.734   4.193   3.945
   31    H    GLY   5           H        GLY   5  16.839  -1.686  -1.299
   32   1HA   GLY   5          1HA       GLY   5  17.807  -2.386   0.660
   33   2HA   GLY   5          2HA       GLY   5  16.940  -1.069   1.434
   34    H    SER   6           H        SER   6  15.125  -1.478   2.598
   35    HA   SER   6           HA       SER   6  14.165  -4.258   2.705
   36   1HB   SER   6          1HB       SER   6  13.925  -3.247   5.311
   37   2HB   SER   6          2HB       SER   6  15.063  -4.468   4.749
   38    HG   SER   6           HG       SER   6  15.686  -2.177   5.752
   39    H    THR   7           H        THR   7  13.379  -1.395   1.790
   40    HA   THR   7           HA       THR   7  10.724  -1.284   3.033
   41    HB   THR   7           HB       THR   7  10.860   0.812   1.220
   42    HG1  THR   7           HG1      THR   7  13.210   0.233   1.179
   43   1HG2  THR   7          1HG2      THR   7   9.883   1.033   3.391
   44   2HG2  THR   7          2HG2      THR   7  11.196   2.205   3.286
   45   3HG2  THR   7          3HG2      THR   7  11.425   0.702   4.179
   46    H    GLY   8           H        GLY   8   9.627  -2.907   2.032
   47   1HA   GLY   8          1HA       GLY   8   8.121  -2.894  -0.043
   48   2HA   GLY   8          2HA       GLY   8   9.645  -2.971  -0.916
   49    H    ILE   9           H        ILE   9   8.668  -4.559   2.060
   50    HA   ILE   9           HA       ILE   9   9.552  -7.141   1.111
   51    HB   ILE   9           HB       ILE   9   7.939  -6.748   3.606
   52   1HG1  ILE   9          1HG1      ILE   9  10.899  -6.366   3.701
   53   2HG1  ILE   9          2HG1      ILE   9   9.891  -5.001   3.230
   54   1HG2  ILE   9          1HG2      ILE   9  10.405  -8.387   3.450
   55   2HG2  ILE   9          2HG2      ILE   9   8.904  -8.684   4.324
   56   3HG2  ILE   9          3HG2      ILE   9   8.984  -8.961   2.585
   57   1HD1  ILE   9          1HD1      ILE   9   8.754  -5.022   5.311
   58   2HD1  ILE   9          2HD1      ILE   9   9.486  -6.562   5.764
   59   3HD1  ILE   9          3HD1      ILE   9  10.482  -5.111   5.650
   60    H    LYS  10           H        LYS  10   8.053  -9.050   1.248
   61    HA   LYS  10           HA       LYS  10   6.143 -10.184   0.752
   62   1HB   LYS  10          1HB       LYS  10   5.100  -7.682   1.861
   63   2HB   LYS  10          2HB       LYS  10   4.005  -8.481   0.741
   64   1HG   LYS  10          1HG       LYS  10   3.462 -10.008   2.248
   65   2HG   LYS  10          2HG       LYS  10   5.158 -10.384   2.563
   66   1HD   LYS  10          1HD       LYS  10   4.316  -7.826   3.686
   67   2HD   LYS  10          2HD       LYS  10   3.419  -9.202   4.332
   68   1HE   LYS  10          1HE       LYS  10   5.707 -10.302   4.655
   69   2HE   LYS  10          2HE       LYS  10   6.376  -8.690   4.405
   70   1HZ   LYS  10          1HZ       LYS  10   4.247  -8.603   6.269
   71   2HZ   LYS  10          2HZ       LYS  10   5.864  -8.139   6.471
   72   3HZ   LYS  10          3HZ       LYS  10   5.400  -9.748   6.762
   73    HA   PRO  11           HA       PRO  11   5.828  -9.704  -3.582
   74   1HB   PRO  11          1HB       PRO  11   3.444 -10.988  -4.046
   75   2HB   PRO  11          2HB       PRO  11   4.979 -11.815  -3.761
   76   1HG   PRO  11          1HG       PRO  11   2.756 -11.235  -1.849
   77   2HG   PRO  11          2HG       PRO  11   3.711 -12.718  -2.038
   78   1HD   PRO  11          1HD       PRO  11   4.213 -10.983  -0.062
   79   2HD   PRO  11          2HD       PRO  11   5.528 -11.838  -0.893
   80    H    PHE  12           H        PHE  12   3.363  -8.511  -1.487
   81    HA   PHE  12           HA       PHE  12   2.414  -6.730  -3.628
   82   1HB   PHE  12          1HB       PHE  12   0.797  -7.700  -1.265
   83   2HB   PHE  12          2HB       PHE  12   0.223  -6.719  -2.613
   84    HD1  PHE  12           HD1      PHE  12   0.076  -9.858  -1.302
   85    HD2  PHE  12           HD2      PHE  12   0.895  -7.917  -5.001
   86    HE1  PHE  12           HE1      PHE  12  -0.542 -11.905  -2.506
   87    HE2  PHE  12           HE2      PHE  12   0.275  -9.968  -6.215
   88    HZ   PHE  12           HZ       PHE  12  -0.442 -11.962  -4.966
   89    H    GLN  13           H        GLN  13   4.148  -5.308  -2.915
   90    HA   GLN  13           HA       GLN  13   3.702  -3.982  -0.364
   91   1HB   GLN  13          1HB       GLN  13   5.835  -3.016  -0.664
   92   2HB   GLN  13          2HB       GLN  13   5.989  -4.672  -1.235
   93   1HG   GLN  13          1HG       GLN  13   5.256  -2.681  -3.262
   94   2HG   GLN  13          2HG       GLN  13   6.868  -2.543  -2.580
   95   1HE2  GLN  13          1HE2      GLN  13   7.867  -4.898  -2.318
   96   2HE2  GLN  13          2HE2      GLN  13   7.823  -5.829  -3.772
   97    H    CYS  14           H        CYS  14   3.460  -1.616  -0.353
   98    HA   CYS  14           HA       CYS  14   1.601  -0.729  -2.316
   99   1HB   CYS  14          1HB       CYS  14   1.455   0.211  -0.072
  100   2HB   CYS  14          2HB       CYS  14   3.081   0.881  -0.220
  101    HA   PRO  15           HA       PRO  15   4.697   0.523  -5.269
  102   1HB   PRO  15          1HB       PRO  15   3.011   1.652  -7.066
  103   2HB   PRO  15          2HB       PRO  15   3.211  -0.094  -6.903
  104   1HG   PRO  15          1HG       PRO  15   1.049   1.676  -5.845
  105   2HG   PRO  15          2HG       PRO  15   0.925   0.060  -6.563
  106   1HD   PRO  15          1HD       PRO  15   0.850   0.517  -3.879
  107   2HD   PRO  15          2HD       PRO  15   1.454  -0.990  -4.592
  108    H    ASP  16           H        ASP  16   2.850   2.482  -3.262
  109    HA   ASP  16           HA       ASP  16   4.087   4.935  -4.343
  110   1HB   ASP  16          1HB       ASP  16   1.536   4.772  -4.171
  111   2HB   ASP  16          2HB       ASP  16   1.760   4.868  -2.427
  112    H    CYS  17           H        CYS  17   3.612   2.992  -1.467
  113    HA   CYS  17           HA       CYS  17   5.285   4.861   0.055
  114   1HB   CYS  17          1HB       CYS  17   3.527   2.634   1.078
  115   2HB   CYS  17          2HB       CYS  17   4.407   3.796   2.064
  116    H    ASP  18           H        ASP  18   5.070   1.581  -1.042
  117    HA   ASP  18           HA       ASP  18   6.582  -0.121  -1.157
  118   1HB   ASP  18          1HB       ASP  18   8.333   2.097  -0.433
  119   2HB   ASP  18          2HB       ASP  18   8.866   0.565   0.253
  120    H    ARG  19           H        ARG  19   4.643  -0.156   0.599
  121    HA   ARG  19           HA       ARG  19   5.628  -0.783   3.252
  122   1HB   ARG  19          1HB       ARG  19   2.980  -0.476   1.960
  123   2HB   ARG  19          2HB       ARG  19   3.065  -1.607   3.305
  124   1HG   ARG  19          1HG       ARG  19   3.152   0.026   4.797
  125   2HG   ARG  19          2HG       ARG  19   4.399   0.891   3.898
  126   1HD   ARG  19          1HD       ARG  19   2.742   2.416   3.672
  127   2HD   ARG  19          2HD       ARG  19   2.313   1.385   2.307
  128    HE   ARG  19           HE       ARG  19   0.365   0.897   3.373
  129   1HH1  ARG  19          1HH1      ARG  19   2.678   2.040   5.761
  130   2HH1  ARG  19          2HH1      ARG  19   1.554   1.919   7.087
  131   1HH2  ARG  19          1HH2      ARG  19  -1.105   0.740   5.166
  132   2HH2  ARG  19          2HH2      ARG  19  -0.553   1.176   6.754
  133    H    SER  20           H        SER  20   3.579  -2.978   3.529
  134    HA   SER  20           HA       SER  20   4.466  -5.020   1.712
  135   1HB   SER  20          1HB       SER  20   5.055  -6.385   3.987
  136   2HB   SER  20          2HB       SER  20   6.257  -5.612   2.956
  137    HG   SER  20           HG       SER  20   5.058  -3.984   4.865
  138    H    PHE  21           H        PHE  21   2.803  -6.228   1.300
  139    HA   PHE  21           HA       PHE  21   0.967  -6.989   3.447
  140   1HB   PHE  21          1HB       PHE  21  -0.026  -6.171   0.711
  141   2HB   PHE  21          2HB       PHE  21  -0.981  -6.507   2.150
  142    HD1  PHE  21           HD1      PHE  21   1.375  -4.100   0.631
  143    HD2  PHE  21           HD2      PHE  21  -1.464  -4.813   3.717
  144    HE1  PHE  21           HE1      PHE  21   1.393  -1.706   1.193
  145    HE2  PHE  21           HE2      PHE  21  -1.443  -2.422   4.295
  146    HZ   PHE  21           HZ       PHE  21  -0.006  -0.870   3.031
  147    H    SER  22           H        SER  22   0.396  -9.097   3.345
  148    HA   SER  22           HA       SER  22   1.714 -10.728   1.344
  149   1HB   SER  22          1HB       SER  22   0.003 -12.284   3.014
  150   2HB   SER  22          2HB       SER  22   1.763 -12.173   3.062
  151    HG   SER  22           HG       SER  22   1.636 -10.949   4.771
  152    H    ARG  23           H        ARG  23  -1.358  -9.368   1.927
  153    HA   ARG  23           HA       ARG  23  -2.614 -11.038  -0.152
  154   1HB   ARG  23          1HB       ARG  23  -3.742  -9.441   2.132
  155   2HB   ARG  23          2HB       ARG  23  -4.736  -9.859   0.751
  156   1HG   ARG  23          1HG       ARG  23  -3.450 -12.220   1.624
  157   2HG   ARG  23          2HG       ARG  23  -4.128 -11.406   3.041
  158   1HD   ARG  23          1HD       ARG  23  -5.611 -12.032   0.501
  159   2HD   ARG  23          2HD       ARG  23  -5.734 -12.953   1.998
  160    HE   ARG  23           HE       ARG  23  -6.428 -10.103   2.007
  161   1HH1  ARG  23          1HH1      ARG  23  -7.436 -13.447   2.245
  162   2HH1  ARG  23          2HH1      ARG  23  -8.995 -13.057   2.914
  163   1HH2  ARG  23          1HH2      ARG  23  -8.483  -9.581   2.826
  164   2HH2  ARG  23          2HH2      ARG  23  -9.602 -10.860   3.210
  165    H    SER  24           H        SER  24  -3.240 -10.115  -2.014
  166    HA   SER  24           HA       SER  24  -2.457  -7.471  -2.702
  167   1HB   SER  24          1HB       SER  24  -3.346  -9.724  -4.074
  168   2HB   SER  24          2HB       SER  24  -4.630  -8.544  -4.320
  169    HG   SER  24           HG       SER  24  -2.864  -7.057  -4.931
  170    H    ASP  25           H        ASP  25  -5.286  -8.905  -1.316
  171    HA   ASP  25           HA       ASP  25  -7.137  -6.797  -1.660
  172   1HB   ASP  25          1HB       ASP  25  -8.163  -8.732  -0.948
  173   2HB   ASP  25          2HB       ASP  25  -6.854  -9.159   0.139
  174    H    HIS  26           H        HIS  26  -4.899  -7.614   0.931
  175    HA   HIS  26           HA       HIS  26  -5.481  -5.498   2.673
  176   1HB   HIS  26          1HB       HIS  26  -3.396  -7.525   2.411
  177   2HB   HIS  26          2HB       HIS  26  -2.780  -6.008   3.059
  178    HD1  HIS  26           HD1      HIS  26  -2.539  -6.528   5.495
  179    HD2  HIS  26           HD2      HIS  26  -6.237  -7.680   3.975
  180    HE1  HIS  26           HE1      HIS  26  -3.897  -7.242   7.484
  181    HE2  HIS  26           HE2      HIS  26  -6.164  -7.846   6.560
  182    H    LEU  27           H        LEU  27  -3.278  -5.735  -0.055
  183    HA   LEU  27           HA       LEU  27  -1.936  -3.285   0.156
  184   1HB   LEU  27          1HB       LEU  27  -1.581  -5.191  -1.517
  185   2HB   LEU  27          2HB       LEU  27  -2.910  -4.501  -2.425
  186    HG   LEU  27           HG       LEU  27  -1.655  -2.844  -3.270
  187   1HD1  LEU  27          1HD1      LEU  27   0.077  -2.702  -0.812
  188   2HD1  LEU  27          2HD1      LEU  27  -0.059  -1.515  -2.113
  189   3HD1  LEU  27          3HD1      LEU  27  -1.420  -1.785  -1.021
  190   1HD2  LEU  27          1HD2      LEU  27   0.839  -4.172  -2.378
  191   2HD2  LEU  27          2HD2      LEU  27  -0.316  -5.125  -3.309
  192   3HD2  LEU  27          3HD2      LEU  27   0.346  -3.636  -3.984
  193    H    ALA  28           H        ALA  28  -4.774  -4.071  -1.819
  194    HA   ALA  28           HA       ALA  28  -5.414  -1.524  -2.646
  195   1HB   ALA  28          1HB       ALA  28  -6.661  -2.976  -3.821
  196   2HB   ALA  28          2HB       ALA  28  -6.835  -4.094  -2.468
  197   3HB   ALA  28          3HB       ALA  28  -7.865  -2.665  -2.569
  198    H    LEU  29           H        LEU  29  -6.346  -3.143   0.358
  199    HA   LEU  29           HA       LEU  29  -8.291  -1.339   1.242
  200   1HB   LEU  29          1HB       LEU  29  -6.344  -3.039   2.780
  201   2HB   LEU  29          2HB       LEU  29  -7.616  -2.104   3.539
  202    HG   LEU  29           HG       LEU  29  -8.157  -4.223   1.468
  203   1HD1  LEU  29          1HD1      LEU  29  -7.048  -5.266   3.349
  204   2HD1  LEU  29          2HD1      LEU  29  -8.148  -4.465   4.474
  205   3HD1  LEU  29          3HD1      LEU  29  -8.766  -5.680   3.351
  206   1HD2  LEU  29          1HD2      LEU  29 -10.421  -4.133   2.383
  207   2HD2  LEU  29          2HD2      LEU  29  -9.923  -2.864   3.504
  208   3HD2  LEU  29          3HD2      LEU  29  -9.917  -2.560   1.767
  209    H    HIS  30           H        HIS  30  -4.775  -1.313   1.710
  210    HA   HIS  30           HA       HIS  30  -4.803   1.090   3.263
  211   1HB   HIS  30          1HB       HIS  30  -2.857  -0.084   3.688
  212   2HB   HIS  30          2HB       HIS  30  -2.691  -0.628   2.025
  213    HD1  HIS  30           HD1      HIS  30  -2.339   2.655   3.953
  214    HD2  HIS  30           HD2      HIS  30  -0.802   0.675   0.633
  215    HE1  HIS  30           HE1      HIS  30  -0.514   4.137   3.014
  216    H    ARG  31           H        ARG  31  -4.462   0.281  -0.119
  217    HA   ARG  31           HA       ARG  31  -3.547   2.854  -0.911
  218   1HB   ARG  31          1HB       ARG  31  -4.632   0.516  -2.467
  219   2HB   ARG  31          2HB       ARG  31  -4.069   2.002  -3.225
  220   1HG   ARG  31          1HG       ARG  31  -1.920   1.539  -1.798
  221   2HG   ARG  31          2HG       ARG  31  -2.527  -0.115  -1.813
  222   1HD   ARG  31          1HD       ARG  31  -1.171  -0.082  -3.675
  223   2HD   ARG  31          2HD       ARG  31  -2.754   0.274  -4.371
  224    HE   ARG  31           HE       ARG  31  -0.627   2.244  -3.859
  225   1HH1  ARG  31          1HH1      ARG  31  -3.598   1.333  -5.459
  226   2HH1  ARG  31          2HH1      ARG  31  -3.488   2.577  -6.667
  227   1HH2  ARG  31          1HH2      ARG  31  -0.477   3.907  -5.448
  228   2HH2  ARG  31          2HH2      ARG  31  -1.737   4.066  -6.636
  229    H    LYS  32           H        LYS  32  -6.469   2.048   0.256
  230    HA   LYS  32           HA       LYS  32  -8.343   3.091  -1.532
  231   1HB   LYS  32          1HB       LYS  32  -8.293   2.247   1.206
  232   2HB   LYS  32          2HB       LYS  32  -9.181   3.759   1.087
  233   1HG   LYS  32          1HG       LYS  32 -10.660   1.840   0.887
  234   2HG   LYS  32          2HG       LYS  32 -10.639   2.789  -0.601
  235   1HD   LYS  32          1HD       LYS  32  -8.680   1.053  -1.166
  236   2HD   LYS  32          2HD       LYS  32  -9.640   0.054  -0.072
  237   1HE   LYS  32          1HE       LYS  32 -10.859  -0.447  -1.881
  238   2HE   LYS  32          2HE       LYS  32 -11.560   1.156  -1.675
  239   1HZ   LYS  32          1HZ       LYS  32  -9.081   0.906  -3.231
  240   2HZ   LYS  32          2HZ       LYS  32 -10.357   2.011  -3.399
  241   3HZ   LYS  32          3HZ       LYS  32 -10.538   0.419  -3.947
  242    H    ARG  33           H        ARG  33  -6.326   4.678   0.889
  243    HA   ARG  33           HA       ARG  33  -7.505   7.258   0.371
  244   1HB   ARG  33          1HB       ARG  33  -6.080   6.124   2.483
  245   2HB   ARG  33          2HB       ARG  33  -4.995   7.337   1.818
  246   1HG   ARG  33          1HG       ARG  33  -6.796   9.009   2.015
  247   2HG   ARG  33          2HG       ARG  33  -7.811   7.779   2.769
  248   1HD   ARG  33          1HD       ARG  33  -6.965   8.582   4.688
  249   2HD   ARG  33          2HD       ARG  33  -5.569   7.590   4.272
  250    HE   ARG  33           HE       ARG  33  -5.782  10.480   3.688
  251   1HH1  ARG  33          1HH1      ARG  33  -3.911   7.637   4.553
  252   2HH1  ARG  33          2HH1      ARG  33  -2.410   8.510   4.682
  253   1HH2  ARG  33          1HH2      ARG  33  -3.812  11.634   3.877
  254   2HH2  ARG  33          2HH2      ARG  33  -2.357  10.781   4.298
  255    H    HIS  34           H        HIS  34  -5.597   5.490  -1.513
  256    HA   HIS  34           HA       HIS  34  -3.747   7.640  -2.209
  257   1HB   HIS  34          1HB       HIS  34  -3.934   4.743  -2.973
  258   2HB   HIS  34          2HB       HIS  34  -2.988   5.860  -3.950
  259    HD1  HIS  34           HD1      HIS  34  -1.524   7.509  -1.890
  260    HD2  HIS  34           HD2      HIS  34  -2.124   3.415  -1.497
  261    HE1  HIS  34           HE1      HIS  34   0.233   6.680  -0.271
  262    H    MET  35           H        MET  35  -6.832   6.901  -2.820
  263    HA   MET  35           HA       MET  35  -6.982   7.459  -5.641
  264   1HB   MET  35          1HB       MET  35  -8.846   6.857  -3.451
  265   2HB   MET  35          2HB       MET  35  -9.462   8.048  -4.589
  266   1HG   MET  35          1HG       MET  35  -8.462   6.152  -6.257
  267   2HG   MET  35          2HG       MET  35  -9.035   5.180  -4.906
  268   1HE   MET  35          1HE       MET  35 -11.361   7.648  -7.894
  269   2HE   MET  35          2HE       MET  35 -10.975   8.608  -6.466
  270   3HE   MET  35          3HE       MET  35  -9.683   7.846  -7.394
  271    H    LEU  36           H        LEU  36  -7.839   9.187  -2.665
  272    HA   LEU  36           HA       LEU  36  -6.954  11.679  -3.856
  273   1HB   LEU  36          1HB       LEU  36  -9.124  12.193  -4.263
  274   2HB   LEU  36          2HB       LEU  36  -9.723  10.963  -3.165
  275    HG   LEU  36           HG       LEU  36  -8.915  12.585  -1.317
  276   1HD1  LEU  36          1HD1      LEU  36  -7.759  14.205  -2.609
  277   2HD1  LEU  36          2HD1      LEU  36  -9.123  14.397  -3.711
  278   3HD1  LEU  36          3HD1      LEU  36  -9.245  14.973  -2.048
  279   1HD2  LEU  36          1HD2      LEU  36 -11.227  11.956  -1.692
  280   2HD2  LEU  36          2HD2      LEU  36 -11.105  13.677  -1.325
  281   3HD2  LEU  36          3HD2      LEU  36 -11.357  13.145  -2.987
  282    H    VAL  37           H        VAL  37  -5.330  12.083  -2.495
  283    HA   VAL  37           HA       VAL  37  -5.570  11.352   0.299
  284    HB   VAL  37           HB       VAL  37  -3.500  10.956  -1.172
  285   1HG1  VAL  37          1HG1      VAL  37  -3.593  13.791  -1.294
  286   2HG1  VAL  37          2HG1      VAL  37  -2.128  13.318  -0.431
  287   3HG1  VAL  37          3HG1      VAL  37  -2.441  12.690  -2.050
  288   1HG2  VAL  37          1HG2      VAL  37  -2.027  11.794   0.899
  289   2HG2  VAL  37          2HG2      VAL  37  -3.635  11.887   1.621
  290   3HG2  VAL  37          3HG2      VAL  37  -3.055  10.360   0.955
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1   8.224   5.609  -3.763
    2   2H    GLY   1          2H        GLY   1   9.223   4.345  -3.230
    3   3H    GLY   1          3H        GLY   1   9.871   5.892  -3.475
    4   1HA   GLY   1          1HA       GLY   1   9.054   6.728  -1.546
    5   2HA   GLY   1          2HA       GLY   1   7.659   5.655  -1.584
    6    H    SER   2           H        SER   2   9.199   6.078   0.731
    7    HA   SER   2           HA       SER   2  10.006   3.333   1.228
    8   1HB   SER   2          1HB       SER   2  11.955   5.092   2.467
    9   2HB   SER   2          2HB       SER   2  12.219   3.670   1.459
   10    HG   SER   2           HG       SER   2  11.404   6.062   0.226
   11    H    THR   3           H        THR   3   8.818   2.787   2.928
   12    HA   THR   3           HA       THR   3   7.734   4.705   4.725
   13    HB   THR   3           HB       THR   3   7.132   2.554   6.059
   14    HG1  THR   3           HG1      THR   3   7.853   1.389   3.537
   15   1HG2  THR   3          1HG2      THR   3   5.926   3.910   3.970
   16   2HG2  THR   3          2HG2      THR   3   5.158   2.726   5.028
   17   3HG2  THR   3          3HG2      THR   3   5.839   2.218   3.482
   18    H    ARG   4           H        ARG   4  10.750   3.760   4.484
   19    HA   ARG   4           HA       ARG   4  12.603   3.682   5.785
   20   1HB   ARG   4          1HB       ARG   4  10.783   5.537   7.248
   21   2HB   ARG   4          2HB       ARG   4  12.245   5.002   8.065
   22   1HG   ARG   4          1HG       ARG   4  13.492   6.415   6.901
   23   2HG   ARG   4          2HG       ARG   4  12.846   5.813   5.374
   24   1HD   ARG   4          1HD       ARG   4  11.051   7.556   6.937
   25   2HD   ARG   4          2HD       ARG   4  12.488   8.332   6.276
   26    HE   ARG   4           HE       ARG   4  10.519   6.870   4.625
   27   1HH1  ARG   4          1HH1      ARG   4  12.779   9.515   5.091
   28   2HH1  ARG   4          2HH1      ARG   4  12.395  10.274   3.572
   29   1HH2  ARG   4          1HH2      ARG   4  10.024   7.865   2.625
   30   2HH2  ARG   4          2HH2      ARG   4  10.832   9.338   2.175
   31    H    GLY   5           H        GLY   5  11.135   1.435   5.839
   32   1HA   GLY   5          1HA       GLY   5  11.986   0.152   8.225
   33   2HA   GLY   5          2HA       GLY   5  10.249   0.431   8.263
   34    H    SER   6           H        SER   6   8.924  -0.559   6.679
   35    HA   SER   6           HA       SER   6   9.788  -3.159   5.855
   36   1HB   SER   6          1HB       SER   6   7.503  -3.065   4.627
   37   2HB   SER   6          2HB       SER   6   7.499  -3.020   6.391
   38    HG   SER   6           HG       SER   6   7.518  -0.652   4.831
   39    H    THR   7           H        THR   7  11.382  -3.137   4.339
   40    HA   THR   7           HA       THR   7  11.384  -1.204   2.216
   41    HB   THR   7           HB       THR   7  13.330  -3.102   1.619
   42    HG1  THR   7           HG1      THR   7  13.473  -2.676   4.420
   43   1HG2  THR   7          1HG2      THR   7  13.319  -0.490   1.898
   44   2HG2  THR   7          2HG2      THR   7  14.814  -1.404   2.080
   45   3HG2  THR   7          3HG2      THR   7  13.931  -0.869   3.508
   46    H    GLY   8           H        GLY   8   9.260  -1.954   1.354
   47   1HA   GLY   8          1HA       GLY   8   7.994  -3.043  -0.218
   48   2HA   GLY   8          2HA       GLY   8   9.502  -3.139  -1.112
   49    H    ILE   9           H        ILE   9   8.446  -4.715   1.865
   50    HA   ILE   9           HA       ILE   9   9.400  -7.279   0.953
   51    HB   ILE   9           HB       ILE   9   7.669  -6.980   3.364
   52   1HG1  ILE   9          1HG1      ILE   9  10.589  -6.319   3.547
   53   2HG1  ILE   9          2HG1      ILE   9   9.412  -5.060   3.192
   54   1HG2  ILE   9          1HG2      ILE   9   8.431  -9.180   2.935
   55   2HG2  ILE   9          2HG2      ILE   9  10.080  -8.628   2.644
   56   3HG2  ILE   9          3HG2      ILE   9   9.407  -8.571   4.272
   57   1HD1  ILE   9          1HD1      ILE   9   8.695  -6.732   5.474
   58   2HD1  ILE   9          2HD1      ILE   9  10.195  -5.828   5.681
   59   3HD1  ILE   9          3HD1      ILE   9   8.699  -4.976   5.303
   60    H    LYS  10           H        LYS  10   7.884  -9.208   1.113
   61    HA   LYS  10           HA       LYS  10   6.007 -10.353   0.557
   62   1HB   LYS  10          1HB       LYS  10   4.883  -7.792   1.545
   63   2HB   LYS  10          2HB       LYS  10   3.813  -8.814   0.592
   64   1HG   LYS  10          1HG       LYS  10   3.469 -10.158   2.316
   65   2HG   LYS  10          2HG       LYS  10   5.204 -10.399   2.538
   66   1HD   LYS  10          1HD       LYS  10   4.413  -7.782   3.442
   67   2HD   LYS  10          2HD       LYS  10   3.442  -9.028   4.226
   68   1HE   LYS  10          1HE       LYS  10   6.384  -9.430   4.043
   69   2HE   LYS  10          2HE       LYS  10   5.769  -8.262   5.212
   70   1HZ   LYS  10          1HZ       LYS  10   4.980  -9.874   6.520
   71   2HZ   LYS  10          2HZ       LYS  10   6.023 -10.900   5.662
   72   3HZ   LYS  10          3HZ       LYS  10   4.388 -10.798   5.224
   73    HA   PRO  11           HA       PRO  11   5.653  -9.862  -3.774
   74   1HB   PRO  11          1HB       PRO  11   3.274 -11.152  -4.239
   75   2HB   PRO  11          2HB       PRO  11   4.807 -11.980  -3.947
   76   1HG   PRO  11          1HG       PRO  11   2.580 -11.384  -2.042
   77   2HG   PRO  11          2HG       PRO  11   3.523 -12.875  -2.226
   78   1HD   PRO  11          1HD       PRO  11   4.039 -11.148  -0.250
   79   2HD   PRO  11          2HD       PRO  11   5.353 -12.005  -1.084
   80    H    PHE  12           H        PHE  12   3.394  -8.497  -1.636
   81    HA   PHE  12           HA       PHE  12   2.349  -6.781  -3.774
   82   1HB   PHE  12          1HB       PHE  12   0.794  -7.799  -1.383
   83   2HB   PHE  12          2HB       PHE  12   0.185  -6.702  -2.619
   84    HD1  PHE  12           HD1      PHE  12   0.654  -7.712  -5.121
   85    HD2  PHE  12           HD2      PHE  12   0.046  -9.948  -1.553
   86    HE1  PHE  12           HE1      PHE  12  -0.084  -9.642  -6.459
   87    HE2  PHE  12           HE2      PHE  12  -0.695 -11.879  -2.882
   88    HZ   PHE  12           HZ       PHE  12  -0.756 -11.729  -5.339
   89    H    GLN  13           H        GLN  13   3.851  -5.176  -3.284
   90    HA   GLN  13           HA       GLN  13   3.657  -3.984  -0.619
   91   1HB   GLN  13          1HB       GLN  13   5.843  -3.206  -0.893
   92   2HB   GLN  13          2HB       GLN  13   5.869  -4.799  -1.637
   93   1HG   GLN  13          1HG       GLN  13   5.218  -3.272  -3.751
   94   2HG   GLN  13          2HG       GLN  13   6.224  -2.156  -2.836
   95   1HE2  GLN  13          1HE2      GLN  13   6.427  -5.675  -3.208
   96   2HE2  GLN  13          2HE2      GLN  13   8.032  -5.685  -3.853
   97    H    CYS  14           H        CYS  14   3.476  -1.641  -0.481
   98    HA   CYS  14           HA       CYS  14   1.676  -0.572  -2.411
   99   1HB   CYS  14          1HB       CYS  14   1.496   0.239  -0.124
  100   2HB   CYS  14          2HB       CYS  14   3.155   0.842  -0.177
  101    HA   PRO  15           HA       PRO  15   4.823   0.873  -5.199
  102   1HB   PRO  15          1HB       PRO  15   3.196   2.093  -6.973
  103   2HB   PRO  15          2HB       PRO  15   3.320   0.333  -6.865
  104   1HG   PRO  15          1HG       PRO  15   1.224   2.159  -5.766
  105   2HG   PRO  15          2HG       PRO  15   1.036   0.580  -6.551
  106   1HD   PRO  15          1HD       PRO  15   0.970   0.950  -3.839
  107   2HD   PRO  15          2HD       PRO  15   1.462  -0.567  -4.616
  108    H    ASP  16           H        ASP  16   2.907   2.726  -3.147
  109    HA   ASP  16           HA       ASP  16   4.092   5.250  -4.106
  110   1HB   ASP  16          1HB       ASP  16   1.587   5.102  -3.912
  111   2HB   ASP  16          2HB       ASP  16   1.789   4.908  -2.174
  112    H    CYS  17           H        CYS  17   3.584   3.249  -1.254
  113    HA   CYS  17           HA       CYS  17   5.367   5.027   0.244
  114   1HB   CYS  17          1HB       CYS  17   3.608   2.870   1.395
  115   2HB   CYS  17          2HB       CYS  17   4.413   4.174   2.259
  116    H    ASP  18           H        ASP  18   4.960   1.754  -0.801
  117    HA   ASP  18           HA       ASP  18   6.418   0.043  -1.080
  118   1HB   ASP  18          1HB       ASP  18   8.662   0.250  -0.949
  119   2HB   ASP  18          2HB       ASP  18   8.279   1.955  -0.841
  120    H    ARG  19           H        ARG  19   4.519   0.580   1.042
  121    HA   ARG  19           HA       ARG  19   5.276  -0.853   3.401
  122   1HB   ARG  19          1HB       ARG  19   2.470  -0.887   2.382
  123   2HB   ARG  19          2HB       ARG  19   3.058  -0.729   4.030
  124   1HG   ARG  19          1HG       ARG  19   3.993   1.555   2.917
  125   2HG   ARG  19          2HG       ARG  19   2.484   1.323   2.030
  126   1HD   ARG  19          1HD       ARG  19   2.818   1.405   5.022
  127   2HD   ARG  19          2HD       ARG  19   2.092   2.654   4.012
  128    HE   ARG  19           HE       ARG  19   0.485   0.666   3.420
  129   1HH1  ARG  19          1HH1      ARG  19   1.806   1.603   6.530
  130   2HH1  ARG  19          2HH1      ARG  19   0.490   0.934   7.453
  131   1HH2  ARG  19          1HH2      ARG  19  -1.282  -0.207   4.653
  132   2HH2  ARG  19          2HH2      ARG  19  -1.282  -0.059   6.384
  133    H    SER  20           H        SER  20   4.033  -3.006   3.887
  134    HA   SER  20           HA       SER  20   4.198  -4.701   1.481
  135   1HB   SER  20          1HB       SER  20   4.974  -6.083   3.917
  136   2HB   SER  20          2HB       SER  20   5.794  -6.007   2.358
  137    HG   SER  20           HG       SER  20   6.130  -3.655   3.329
  138    H    PHE  21           H        PHE  21   2.721  -6.255   1.232
  139    HA   PHE  21           HA       PHE  21   0.923  -6.942   3.433
  140   1HB   PHE  21          1HB       PHE  21  -0.088  -6.119   0.700
  141   2HB   PHE  21          2HB       PHE  21  -1.059  -6.570   2.098
  142    HD1  PHE  21           HD1      PHE  21  -1.452  -5.028   3.886
  143    HD2  PHE  21           HD2      PHE  21   1.045  -3.969   0.611
  144    HE1  PHE  21           HE1      PHE  21  -1.546  -2.673   4.583
  145    HE2  PHE  21           HE2      PHE  21   0.953  -1.614   1.298
  146    HZ   PHE  21           HZ       PHE  21  -0.341  -0.966   3.287
  147    H    SER  22           H        SER  22   0.457  -9.062   3.460
  148    HA   SER  22           HA       SER  22   1.704 -10.819   1.604
  149   1HB   SER  22          1HB       SER  22  -0.302 -12.187   3.098
  150   2HB   SER  22          2HB       SER  22   1.442 -12.188   3.367
  151    HG   SER  22           HG       SER  22   1.194 -10.853   4.982
  152    H    ARG  23           H        ARG  23  -1.529  -9.551   2.034
  153    HA   ARG  23           HA       ARG  23  -2.473 -11.041  -0.322
  154   1HB   ARG  23          1HB       ARG  23  -3.847  -9.831   2.055
  155   2HB   ARG  23          2HB       ARG  23  -4.737 -10.056   0.556
  156   1HG   ARG  23          1HG       ARG  23  -3.537 -12.498   0.934
  157   2HG   ARG  23          2HG       ARG  23  -3.959 -11.992   2.574
  158   1HD   ARG  23          1HD       ARG  23  -5.893 -11.882   0.279
  159   2HD   ARG  23          2HD       ARG  23  -5.720 -13.303   1.306
  160    HE   ARG  23           HE       ARG  23  -6.644 -10.643   2.203
  161   1HH1  ARG  23          1HH1      ARG  23  -6.504 -14.127   2.560
  162   2HH1  ARG  23          2HH1      ARG  23  -7.593 -14.167   3.915
  163   1HH2  ARG  23          1HH2      ARG  23  -8.119 -10.696   3.958
  164   2HH2  ARG  23          2HH2      ARG  23  -8.527 -12.218   4.698
  165    H    SER  24           H        SER  24  -3.222  -9.994  -2.083
  166    HA   SER  24           HA       SER  24  -2.451  -7.294  -2.577
  167   1HB   SER  24          1HB       SER  24  -3.332  -9.482  -4.095
  168   2HB   SER  24          2HB       SER  24  -4.582  -8.260  -4.298
  169    HG   SER  24           HG       SER  24  -2.549  -8.315  -5.716
  170    H    ASP  25           H        ASP  25  -5.228  -8.883  -1.292
  171    HA   ASP  25           HA       ASP  25  -7.137  -6.829  -1.516
  172   1HB   ASP  25          1HB       ASP  25  -8.347  -8.556  -0.787
  173   2HB   ASP  25          2HB       ASP  25  -6.895  -9.443  -0.389
  174    H    HIS  26           H        HIS  26  -4.693  -7.622   0.902
  175    HA   HIS  26           HA       HIS  26  -5.461  -5.620   2.778
  176   1HB   HIS  26          1HB       HIS  26  -3.211  -7.511   2.456
  177   2HB   HIS  26          2HB       HIS  26  -2.835  -6.033   3.338
  178    HD1  HIS  26           HD1      HIS  26  -2.627  -7.125   5.620
  179    HD2  HIS  26           HD2      HIS  26  -6.286  -7.847   3.768
  180    HE1  HIS  26           HE1      HIS  26  -4.094  -8.147   7.391
  181    HE2  HIS  26           HE2      HIS  26  -6.266  -8.678   6.223
  182    H    LEU  27           H        LEU  27  -3.271  -5.769   0.053
  183    HA   LEU  27           HA       LEU  27  -1.930  -3.326   0.327
  184   1HB   LEU  27          1HB       LEU  27  -1.538  -5.167  -1.392
  185   2HB   LEU  27          2HB       LEU  27  -2.900  -4.512  -2.273
  186    HG   LEU  27           HG       LEU  27  -1.704  -2.816  -3.127
  187   1HD1  LEU  27          1HD1      LEU  27  -0.321  -1.350  -1.994
  188   2HD1  LEU  27          2HD1      LEU  27  -1.428  -1.900  -0.734
  189   3HD1  LEU  27          3HD1      LEU  27   0.198  -2.577  -0.835
  190   1HD2  LEU  27          1HD2      LEU  27  -0.367  -4.728  -3.704
  191   2HD2  LEU  27          2HD2      LEU  27   0.680  -3.336  -3.427
  192   3HD2  LEU  27          3HD2      LEU  27   0.538  -4.592  -2.197
  193    H    ALA  28           H        ALA  28  -4.794  -4.067  -1.620
  194    HA   ALA  28           HA       ALA  28  -5.421  -1.506  -2.418
  195   1HB   ALA  28          1HB       ALA  28  -6.404  -3.636  -3.276
  196   2HB   ALA  28          2HB       ALA  28  -7.450  -3.658  -1.858
  197   3HB   ALA  28          3HB       ALA  28  -7.570  -2.338  -3.022
  198    H    LEU  29           H        LEU  29  -6.347  -3.157   0.582
  199    HA   LEU  29           HA       LEU  29  -8.241  -1.366   1.549
  200   1HB   LEU  29          1HB       LEU  29  -6.175  -2.966   3.046
  201   2HB   LEU  29          2HB       LEU  29  -7.472  -2.080   3.821
  202    HG   LEU  29           HG       LEU  29  -7.909  -4.314   1.842
  203   1HD1  LEU  29          1HD1      LEU  29  -7.322  -4.330   4.710
  204   2HD1  LEU  29          2HD1      LEU  29  -8.763  -5.238   4.254
  205   3HD1  LEU  29          3HD1      LEU  29  -7.207  -5.624   3.518
  206   1HD2  LEU  29          1HD2      LEU  29  -9.854  -3.142   3.813
  207   2HD2  LEU  29          2HD2      LEU  29  -9.698  -2.545   2.160
  208   3HD2  LEU  29          3HD2      LEU  29 -10.182  -4.215   2.451
  209    H    HIS  30           H        HIS  30  -4.717  -1.276   1.851
  210    HA   HIS  30           HA       HIS  30  -4.714   1.210   3.293
  211   1HB   HIS  30          1HB       HIS  30  -2.804  -0.008   3.779
  212   2HB   HIS  30          2HB       HIS  30  -2.631  -0.596   2.130
  213    HD1  HIS  30           HD1      HIS  30  -2.170   2.664   4.064
  214    HD2  HIS  30           HD2      HIS  30  -0.766   0.709   0.670
  215    HE1  HIS  30           HE1      HIS  30  -0.315   4.096   3.131
  216    H    ARG  31           H        ARG  31  -4.402   0.169  -0.030
  217    HA   ARG  31           HA       ARG  31  -3.407   2.657  -0.971
  218   1HB   ARG  31          1HB       ARG  31  -4.431   0.174  -2.311
  219   2HB   ARG  31          2HB       ARG  31  -4.066   1.619  -3.248
  220   1HG   ARG  31          1HG       ARG  31  -1.796   1.485  -1.925
  221   2HG   ARG  31          2HG       ARG  31  -2.244  -0.215  -1.789
  222   1HD   ARG  31          1HD       ARG  31  -0.933  -0.073  -3.733
  223   2HD   ARG  31          2HD       ARG  31  -2.605  -0.164  -4.300
  224    HE   ARG  31           HE       ARG  31  -0.928   2.254  -4.263
  225   1HH1  ARG  31          1HH1      ARG  31  -3.754   0.516  -5.389
  226   2HH1  ARG  31          2HH1      ARG  31  -4.124   1.679  -6.635
  227   1HH2  ARG  31          1HH2      ARG  31  -1.408   3.783  -5.904
  228   2HH2  ARG  31          2HH2      ARG  31  -2.813   3.546  -6.905
  229    H    LYS  32           H        LYS  32  -6.360   1.933   0.182
  230    HA   LYS  32           HA       LYS  32  -8.175   2.998  -1.671
  231   1HB   LYS  32          1HB       LYS  32  -8.208   2.125   1.058
  232   2HB   LYS  32          2HB       LYS  32  -9.055   3.662   0.939
  233   1HG   LYS  32          1HG       LYS  32 -10.495   1.645   0.688
  234   2HG   LYS  32          2HG       LYS  32 -10.583   2.786  -0.654
  235   1HD   LYS  32          1HD       LYS  32  -9.622   1.346  -2.122
  236   2HD   LYS  32          2HD       LYS  32  -8.566   0.636  -0.896
  237   1HE   LYS  32          1HE       LYS  32 -10.286  -0.759  -0.085
  238   2HE   LYS  32          2HE       LYS  32 -11.531   0.142  -0.949
  239   1HZ   LYS  32          1HZ       LYS  32 -11.327  -1.371  -2.539
  240   2HZ   LYS  32          2HZ       LYS  32  -9.939  -2.044  -1.837
  241   3HZ   LYS  32          3HZ       LYS  32  -9.801  -0.721  -2.893
  242    H    ARG  33           H        ARG  33  -6.007   4.492   0.614
  243    HA   ARG  33           HA       ARG  33  -7.134   7.131   0.200
  244   1HB   ARG  33          1HB       ARG  33  -5.530   7.910   1.789
  245   2HB   ARG  33          2HB       ARG  33  -6.194   6.404   2.403
  246   1HG   ARG  33          1HG       ARG  33  -4.233   5.225   1.981
  247   2HG   ARG  33          2HG       ARG  33  -3.622   6.453   0.870
  248   1HD   ARG  33          1HD       ARG  33  -4.074   7.705   3.367
  249   2HD   ARG  33          2HD       ARG  33  -3.200   6.206   3.678
  250    HE   ARG  33           HE       ARG  33  -2.264   8.304   1.821
  251   1HH1  ARG  33          1HH1      ARG  33  -1.650   5.806   4.204
  252   2HH1  ARG  33          2HH1      ARG  33   0.069   6.077   4.226
  253   1HH2  ARG  33          1HH2      ARG  33  -0.006   8.636   1.829
  254   2HH2  ARG  33          2HH2      ARG  33   1.001   7.686   2.885
  255    H    HIS  34           H        HIS  34  -5.459   5.245  -1.762
  256    HA   HIS  34           HA       HIS  34  -3.751   7.424  -2.783
  257   1HB   HIS  34          1HB       HIS  34  -3.590   4.438  -3.229
  258   2HB   HIS  34          2HB       HIS  34  -2.612   5.615  -4.097
  259    HD1  HIS  34           HD1      HIS  34  -1.557   7.399  -1.886
  260    HD2  HIS  34           HD2      HIS  34  -1.930   3.272  -1.516
  261    HE1  HIS  34           HE1      HIS  34   0.100   6.678  -0.111
  262    H    MET  35           H        MET  35  -6.724   6.395  -3.113
  263    HA   MET  35           HA       MET  35  -6.927   5.889  -5.926
  264   1HB   MET  35          1HB       MET  35  -8.939   6.403  -3.746
  265   2HB   MET  35          2HB       MET  35  -9.420   6.253  -5.431
  266   1HG   MET  35          1HG       MET  35  -7.709   4.074  -4.713
  267   2HG   MET  35          2HG       MET  35  -9.038   4.207  -3.560
  268   1HE   MET  35          1HE       MET  35  -8.958   2.456  -7.605
  269   2HE   MET  35          2HE       MET  35  -7.676   2.937  -6.491
  270   3HE   MET  35          3HE       MET  35  -8.733   1.583  -6.089
  271    H    LEU  36           H        LEU  36  -8.049   8.562  -3.860
  272    HA   LEU  36           HA       LEU  36  -7.323  10.480  -5.912
  273   1HB   LEU  36          1HB       LEU  36  -9.992  11.068  -4.902
  274   2HB   LEU  36          2HB       LEU  36  -9.377  11.149  -6.540
  275    HG   LEU  36           HG       LEU  36  -9.704   8.402  -5.846
  276   1HD1  LEU  36          1HD1      LEU  36 -11.373   8.556  -4.347
  277   2HD1  LEU  36          2HD1      LEU  36 -11.781  10.209  -4.810
  278   3HD1  LEU  36          3HD1      LEU  36 -12.362   8.852  -5.776
  279   1HD2  LEU  36          1HD2      LEU  36  -9.745   9.244  -8.101
  280   2HD2  LEU  36          2HD2      LEU  36 -11.296   8.489  -7.740
  281   3HD2  LEU  36          3HD2      LEU  36 -11.150  10.247  -7.741
  282    H    VAL  37           H        VAL  37  -6.006  10.192  -3.694
  283    HA   VAL  37           HA       VAL  37  -5.237  11.136  -1.803
  284    HB   VAL  37           HB       VAL  37  -6.907  13.553  -2.503
  285   1HG1  VAL  37          1HG1      VAL  37  -5.948  13.619  -0.269
  286   2HG1  VAL  37          2HG1      VAL  37  -4.356  13.229  -0.920
  287   3HG1  VAL  37          3HG1      VAL  37  -5.117  14.769  -1.319
  288   1HG2  VAL  37          1HG2      VAL  37  -4.476  12.432  -3.755
  289   2HG2  VAL  37          2HG2      VAL  37  -5.726  13.473  -4.437
  290   3HG2  VAL  37          3HG2      VAL  37  -4.454  14.165  -3.429
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1   6.789  -3.860   7.553
    2   2H    GLY   1          2H        GLY   1   6.276  -3.726   5.943
    3   3H    GLY   1          3H        GLY   1   5.142  -3.671   7.196
    4   1HA   GLY   1          1HA       GLY   1   5.303  -1.480   7.216
    5   2HA   GLY   1          2HA       GLY   1   6.959  -1.680   7.774
    6    H    SER   2           H        SER   2   6.866   0.486   6.477
    7    HA   SER   2           HA       SER   2   7.064   0.123   3.614
    8   1HB   SER   2          1HB       SER   2   7.895   2.707   4.759
    9   2HB   SER   2          2HB       SER   2   6.730   2.360   3.482
   10    HG   SER   2           HG       SER   2   5.636   3.184   5.267
   11    H    THR   3           H        THR   3   8.834  -0.808   2.888
   12    HA   THR   3           HA       THR   3  10.998  -1.352   2.506
   13    HB   THR   3           HB       THR   3  11.882   1.361   3.410
   14    HG1  THR   3           HG1      THR   3  10.391   0.822   1.027
   15   1HG2  THR   3          1HG2      THR   3  13.612   0.974   2.028
   16   2HG2  THR   3          2HG2      THR   3  12.549   0.441   0.726
   17   3HG2  THR   3          3HG2      THR   3  13.057  -0.699   1.971
   18    H    ARG   4           H        ARG   4  13.140   0.241   4.144
   19    HA   ARG   4           HA       ARG   4  14.416  -0.056   5.999
   20   1HB   ARG   4          1HB       ARG   4  11.796  -1.015   7.021
   21   2HB   ARG   4          2HB       ARG   4  13.232  -1.532   7.895
   22   1HG   ARG   4          1HG       ARG   4  13.490   0.462   8.838
   23   2HG   ARG   4          2HG       ARG   4  13.269   1.306   7.305
   24   1HD   ARG   4          1HD       ARG   4  11.345   2.030   8.174
   25   2HD   ARG   4          2HD       ARG   4  10.744   0.402   7.860
   26    HE   ARG   4           HE       ARG   4  11.787   0.068  10.268
   27   1HH1  ARG   4          1HH1      ARG   4   9.764   2.649   9.042
   28   2HH1  ARG   4          2HH1      ARG   4   9.070   3.016  10.595
   29   1HH2  ARG   4          1HH2      ARG   4  10.884   0.543  12.301
   30   2HH2  ARG   4          2HH2      ARG   4   9.723   1.832  12.454
   31    H    GLY   5           H        GLY   5  15.638  -1.330   4.525
   32   1HA   GLY   5          1HA       GLY   5  17.018  -3.326   4.741
   33   2HA   GLY   5          2HA       GLY   5  15.563  -4.207   5.190
   34    H    SER   6           H        SER   6  14.077  -4.789   3.598
   35    HA   SER   6           HA       SER   6  15.188  -4.918   0.910
   36   1HB   SER   6          1HB       SER   6  12.538  -6.095   1.673
   37   2HB   SER   6          2HB       SER   6  13.729  -6.686   0.511
   38    HG   SER   6           HG       SER   6  15.090  -6.930   2.534
   39    H    THR   7           H        THR   7  14.202  -4.041  -0.886
   40    HA   THR   7           HA       THR   7  12.498  -1.756  -0.354
   41    HB   THR   7           HB       THR   7  12.751  -1.491  -2.918
   42    HG1  THR   7           HG1      THR   7  13.606  -3.805  -2.953
   43   1HG2  THR   7          1HG2      THR   7  15.469  -1.267  -1.974
   44   2HG2  THR   7          2HG2      THR   7  14.332  -0.726  -0.737
   45   3HG2  THR   7          3HG2      THR   7  14.305   0.005  -2.343
   46    H    GLY   8           H        GLY   8  10.490  -2.520   0.126
   47   1HA   GLY   8          1HA       GLY   8   8.321  -3.082  -0.511
   48   2HA   GLY   8          2HA       GLY   8   8.943  -3.608  -2.070
   49    H    ILE   9           H        ILE   9   8.811  -4.498   1.351
   50    HA   ILE   9           HA       ILE   9   9.572  -7.223   0.895
   51    HB   ILE   9           HB       ILE   9   8.015  -6.319   3.292
   52   1HG1  ILE   9          1HG1      ILE   9  10.961  -5.958   3.365
   53   2HG1  ILE   9          2HG1      ILE   9  10.036  -4.741   2.492
   54   1HG2  ILE   9          1HG2      ILE   9  10.473  -8.007   3.334
   55   2HG2  ILE   9          2HG2      ILE   9   9.080  -8.025   4.415
   56   3HG2  ILE   9          3HG2      ILE   9   8.945  -8.703   2.792
   57   1HD1  ILE   9          1HD1      ILE   9  10.551  -4.746   5.175
   58   2HD1  ILE   9          2HD1      ILE   9   9.281  -3.821   4.373
   59   3HD1  ILE   9          3HD1      ILE   9   8.910  -5.387   5.096
   60    H    LYS  10           H        LYS  10   8.071  -9.057   1.346
   61    HA   LYS  10           HA       LYS  10   6.170 -10.248   1.008
   62   1HB   LYS  10          1HB       LYS  10   5.226  -7.728   2.114
   63   2HB   LYS  10          2HB       LYS  10   4.030  -8.485   1.069
   64   1HG   LYS  10          1HG       LYS  10   3.570 -10.052   2.574
   65   2HG   LYS  10          2HG       LYS  10   5.273 -10.391   2.866
   66   1HD   LYS  10          1HD       LYS  10   4.254  -7.849   3.959
   67   2HD   LYS  10          2HD       LYS  10   3.617  -9.319   4.703
   68   1HE   LYS  10          1HE       LYS  10   6.552  -8.945   4.250
   69   2HE   LYS  10          2HE       LYS  10   5.761  -8.274   5.674
   70   1HZ   LYS  10          1HZ       LYS  10   5.072 -11.020   5.239
   71   2HZ   LYS  10          2HZ       LYS  10   5.694 -10.269   6.627
   72   3HZ   LYS  10          3HZ       LYS  10   6.747 -10.806   5.409
   73    HA   PRO  11           HA       PRO  11   5.510 -10.229  -3.281
   74   1HB   PRO  11          1HB       PRO  11   2.934 -11.235  -3.435
   75   2HB   PRO  11          2HB       PRO  11   4.397 -12.206  -3.239
   76   1HG   PRO  11          1HG       PRO  11   2.460 -11.256  -1.171
   77   2HG   PRO  11          2HG       PRO  11   3.257 -12.834  -1.318
   78   1HD   PRO  11          1HD       PRO  11   4.113 -11.031   0.446
   79   2HD   PRO  11          2HD       PRO  11   5.270 -12.026  -0.465
   80    H    PHE  12           H        PHE  12   3.217  -8.527  -1.281
   81    HA   PHE  12           HA       PHE  12   2.476  -6.878  -3.595
   82   1HB   PHE  12          1HB       PHE  12   0.719  -7.797  -1.317
   83   2HB   PHE  12          2HB       PHE  12   0.256  -6.548  -2.472
   84    HD1  PHE  12           HD1      PHE  12   0.468  -7.267  -5.004
   85    HD2  PHE  12           HD2      PHE  12   0.087  -9.964  -1.737
   86    HE1  PHE  12           HE1      PHE  12  -0.361  -9.005  -6.539
   87    HE2  PHE  12           HE2      PHE  12  -0.748 -11.702  -3.261
   88    HZ   PHE  12           HZ       PHE  12  -0.974 -11.225  -5.664
   89    H    GLN  13           H        GLN  13   4.001  -5.314  -3.106
   90    HA   GLN  13           HA       GLN  13   3.775  -3.956  -0.531
   91   1HB   GLN  13          1HB       GLN  13   5.900  -2.973  -1.053
   92   2HB   GLN  13          2HB       GLN  13   5.993  -4.694  -1.395
   93   1HG   GLN  13          1HG       GLN  13   5.149  -3.257  -3.722
   94   2HG   GLN  13          2HG       GLN  13   6.650  -2.588  -3.089
   95   1HE2  GLN  13          1HE2      GLN  13   5.788  -5.962  -2.685
   96   2HE2  GLN  13          2HE2      GLN  13   6.984  -6.591  -3.765
   97    H    CYS  14           H        CYS  14   3.555  -1.615  -0.502
   98    HA   CYS  14           HA       CYS  14   1.689  -0.671  -2.443
   99   1HB   CYS  14          1HB       CYS  14   1.503   0.198  -0.180
  100   2HB   CYS  14          2HB       CYS  14   3.143   0.847  -0.259
  101    HA   PRO  15           HA       PRO  15   4.739   0.821  -5.308
  102   1HB   PRO  15          1HB       PRO  15   3.085   2.035  -7.027
  103   2HB   PRO  15          2HB       PRO  15   3.186   0.276  -6.911
  104   1HG   PRO  15          1HG       PRO  15   1.151   2.140  -5.755
  105   2HG   PRO  15          2HG       PRO  15   0.911   0.567  -6.537
  106   1HD   PRO  15          1HD       PRO  15   0.931   0.928  -3.826
  107   2HD   PRO  15          2HD       PRO  15   1.382  -0.594  -4.620
  108    H    ASP  16           H        ASP  16   2.861   2.741  -3.224
  109    HA   ASP  16           HA       ASP  16   4.189   5.198  -4.197
  110   1HB   ASP  16          1HB       ASP  16   1.611   5.046  -4.037
  111   2HB   ASP  16          2HB       ASP  16   1.857   5.171  -2.298
  112    H    CYS  17           H        CYS  17   3.605   3.173  -1.399
  113    HA   CYS  17           HA       CYS  17   5.290   4.952   0.214
  114   1HB   CYS  17          1HB       CYS  17   3.529   2.713   1.200
  115   2HB   CYS  17          2HB       CYS  17   4.324   3.951   2.169
  116    H    ASP  18           H        ASP  18   5.025   1.704  -0.998
  117    HA   ASP  18           HA       ASP  18   6.566   0.038  -1.224
  118   1HB   ASP  18          1HB       ASP  18   8.285   2.021  -1.105
  119   2HB   ASP  18          2HB       ASP  18   8.579   1.416   0.521
  120    H    ARG  19           H        ARG  19   4.570   0.076   0.648
  121    HA   ARG  19           HA       ARG  19   5.520  -0.812   3.214
  122   1HB   ARG  19          1HB       ARG  19   2.758  -1.327   2.167
  123   2HB   ARG  19          2HB       ARG  19   3.272  -1.041   3.823
  124   1HG   ARG  19          1HG       ARG  19   3.963   1.277   2.454
  125   2HG   ARG  19          2HG       ARG  19   2.377   0.830   1.826
  126   1HD   ARG  19          1HD       ARG  19   3.027   0.982   4.758
  127   2HD   ARG  19          2HD       ARG  19   2.366   2.330   3.838
  128    HE   ARG  19           HE       ARG  19   0.450   0.747   3.331
  129   1HH1  ARG  19          1HH1      ARG  19   2.407   0.448   6.225
  130   2HH1  ARG  19          2HH1      ARG  19   1.102  -0.165   7.203
  131   1HH2  ARG  19          1HH2      ARG  19  -1.276  -0.056   4.638
  132   2HH2  ARG  19          2HH2      ARG  19  -0.986  -0.456   6.302
  133    H    SER  20           H        SER  20   3.721  -3.057   3.587
  134    HA   SER  20           HA       SER  20   4.528  -4.989   1.580
  135   1HB   SER  20          1HB       SER  20   5.207  -6.378   3.849
  136   2HB   SER  20          2HB       SER  20   6.343  -5.660   2.707
  137    HG   SER  20           HG       SER  20   6.272  -3.742   4.007
  138    H    PHE  21           H        PHE  21   2.864  -6.194   1.162
  139    HA   PHE  21           HA       PHE  21   1.123  -7.093   3.341
  140   1HB   PHE  21          1HB       PHE  21   0.062  -6.246   0.638
  141   2HB   PHE  21          2HB       PHE  21  -0.867  -6.674   2.070
  142    HD1  PHE  21           HD1      PHE  21   1.398  -4.129   0.641
  143    HD2  PHE  21           HD2      PHE  21  -1.429  -5.070   3.679
  144    HE1  PHE  21           HE1      PHE  21   1.313  -1.762   1.288
  145    HE2  PHE  21           HE2      PHE  21  -1.510  -2.703   4.338
  146    HZ   PHE  21           HZ       PHE  21  -0.133  -1.048   3.140
  147    H    SER  22           H        SER  22   0.390  -9.177   3.134
  148    HA   SER  22           HA       SER  22   1.763 -10.802   1.160
  149   1HB   SER  22          1HB       SER  22   0.029 -12.406   2.700
  150   2HB   SER  22          2HB       SER  22   1.773 -12.214   2.913
  151    HG   SER  22           HG       SER  22  -0.198 -11.403   4.523
  152    H    ARG  23           H        ARG  23  -1.273  -9.365   1.702
  153    HA   ARG  23           HA       ARG  23  -2.484 -10.859  -0.536
  154   1HB   ARG  23          1HB       ARG  23  -3.907  -9.457   1.741
  155   2HB   ARG  23          2HB       ARG  23  -4.664 -10.363   0.438
  156   1HG   ARG  23          1HG       ARG  23  -3.581 -12.407   1.249
  157   2HG   ARG  23          2HG       ARG  23  -2.875 -11.485   2.581
  158   1HD   ARG  23          1HD       ARG  23  -5.014 -12.798   3.059
  159   2HD   ARG  23          2HD       ARG  23  -4.953 -11.119   3.585
  160    HE   ARG  23           HE       ARG  23  -6.578 -10.573   2.026
  161   1HH1  ARG  23          1HH1      ARG  23  -5.529 -13.896   1.600
  162   2HH1  ARG  23          2HH1      ARG  23  -6.856 -14.316   0.558
  163   1HH2  ARG  23          1HH2      ARG  23  -8.346 -11.142   0.684
  164   2HH2  ARG  23          2HH2      ARG  23  -8.451 -12.747   0.037
  165    H    SER  24           H        SER  24  -3.169  -9.802  -2.193
  166    HA   SER  24           HA       SER  24  -2.486  -7.095  -2.631
  167   1HB   SER  24          1HB       SER  24  -4.364  -7.780  -4.528
  168   2HB   SER  24          2HB       SER  24  -2.632  -8.077  -4.652
  169    HG   SER  24           HG       SER  24  -4.413  -9.882  -4.767
  170    H    ASP  25           H        ASP  25  -5.273  -8.778  -1.439
  171    HA   ASP  25           HA       ASP  25  -7.214  -6.755  -1.636
  172   1HB   ASP  25          1HB       ASP  25  -8.355  -8.557  -0.957
  173   2HB   ASP  25          2HB       ASP  25  -6.892  -9.349  -0.416
  174    H    HIS  26           H        HIS  26  -4.817  -7.552   0.832
  175    HA   HIS  26           HA       HIS  26  -5.606  -5.514   2.660
  176   1HB   HIS  26          1HB       HIS  26  -3.461  -7.508   2.468
  177   2HB   HIS  26          2HB       HIS  26  -2.979  -6.012   3.264
  178    HD1  HIS  26           HD1      HIS  26  -3.055  -6.490   5.694
  179    HD2  HIS  26           HD2      HIS  26  -6.378  -7.995   3.685
  180    HE1  HIS  26           HE1      HIS  26  -4.561  -7.423   7.479
  181    HE2  HIS  26           HE2      HIS  26  -6.635  -8.166   6.258
  182    H    LEU  27           H        LEU  27  -3.347  -5.720  -0.004
  183    HA   LEU  27           HA       LEU  27  -1.985  -3.280   0.298
  184   1HB   LEU  27          1HB       LEU  27  -1.567  -5.116  -1.422
  185   2HB   LEU  27          2HB       LEU  27  -2.913  -4.451  -2.323
  186    HG   LEU  27           HG       LEU  27  -1.716  -2.726  -3.119
  187   1HD1  LEU  27          1HD1      LEU  27  -0.220  -1.349  -1.935
  188   2HD1  LEU  27          2HD1      LEU  27  -1.486  -1.784  -0.786
  189   3HD1  LEU  27          3HD1      LEU  27   0.083  -2.589  -0.716
  190   1HD2  LEU  27          1HD2      LEU  27  -0.376  -4.629  -3.735
  191   2HD2  LEU  27          2HD2      LEU  27   0.666  -3.241  -3.424
  192   3HD2  LEU  27          3HD2      LEU  27   0.526  -4.524  -2.223
  193    H    ALA  28           H        ALA  28  -4.833  -4.034  -1.684
  194    HA   ALA  28           HA       ALA  28  -5.492  -1.462  -2.454
  195   1HB   ALA  28          1HB       ALA  28  -6.463  -3.835  -3.089
  196   2HB   ALA  28          2HB       ALA  28  -7.710  -3.366  -1.934
  197   3HB   ALA  28          3HB       ALA  28  -7.389  -2.356  -3.344
  198    H    LEU  29           H        LEU  29  -6.356  -3.172   0.515
  199    HA   LEU  29           HA       LEU  29  -8.273  -1.391   1.502
  200   1HB   LEU  29          1HB       LEU  29  -6.278  -3.100   2.973
  201   2HB   LEU  29          2HB       LEU  29  -7.579  -2.223   3.753
  202    HG   LEU  29           HG       LEU  29  -7.960  -4.387   1.687
  203   1HD1  LEU  29          1HD1      LEU  29  -7.645  -4.445   4.606
  204   2HD1  LEU  29          2HD1      LEU  29  -9.019  -5.352   3.973
  205   3HD1  LEU  29          3HD1      LEU  29  -7.389  -5.711   3.406
  206   1HD2  LEU  29          1HD2      LEU  29  -9.695  -2.471   2.049
  207   2HD2  LEU  29          2HD2      LEU  29 -10.233  -4.147   1.947
  208   3HD2  LEU  29          3HD2      LEU  29 -10.081  -3.364   3.520
  209    H    HIS  30           H        HIS  30  -4.754  -1.362   1.770
  210    HA   HIS  30           HA       HIS  30  -4.698   1.050   3.338
  211   1HB   HIS  30          1HB       HIS  30  -2.765  -0.175   3.707
  212   2HB   HIS  30          2HB       HIS  30  -2.658  -0.713   2.038
  213    HD1  HIS  30           HD1      HIS  30  -2.000   2.405   4.120
  214    HD2  HIS  30           HD2      HIS  30  -0.944   0.688   0.476
  215    HE1  HIS  30           HE1      HIS  30  -0.219   3.894   3.109
  216    H    ARG  31           H        ARG  31  -4.496   0.178  -0.042
  217    HA   ARG  31           HA       ARG  31  -3.546   2.720  -0.878
  218   1HB   ARG  31          1HB       ARG  31  -4.566   0.308  -2.353
  219   2HB   ARG  31          2HB       ARG  31  -4.116   1.784  -3.198
  220   1HG   ARG  31          1HG       ARG  31  -1.895   1.544  -1.867
  221   2HG   ARG  31          2HG       ARG  31  -2.401  -0.136  -1.695
  222   1HD   ARG  31          1HD       ARG  31  -1.007  -0.016  -3.610
  223   2HD   ARG  31          2HD       ARG  31  -2.664  -0.212  -4.186
  224    HE   ARG  31           HE       ARG  31  -1.162   2.333  -4.204
  225   1HH1  ARG  31          1HH1      ARG  31  -3.644   0.220  -5.525
  226   2HH1  ARG  31          2HH1      ARG  31  -3.971   1.268  -6.880
  227   1HH2  ARG  31          1HH2      ARG  31  -1.588   3.681  -5.969
  228   2HH2  ARG  31          2HH2      ARG  31  -2.774   3.219  -7.152
  229    H    LYS  32           H        LYS  32  -6.502   2.013   0.271
  230    HA   LYS  32           HA       LYS  32  -8.340   3.054  -1.552
  231   1HB   LYS  32          1HB       LYS  32  -8.248   2.560   1.328
  232   2HB   LYS  32          2HB       LYS  32  -9.281   3.914   0.891
  233   1HG   LYS  32          1HG       LYS  32 -10.869   2.412   0.508
  234   2HG   LYS  32          2HG       LYS  32  -9.957   1.959  -0.936
  235   1HD   LYS  32          1HD       LYS  32  -8.743   0.278   0.330
  236   2HD   LYS  32          2HD       LYS  32  -9.591   0.757   1.804
  237   1HE   LYS  32          1HE       LYS  32 -11.246   0.008  -0.533
  238   2HE   LYS  32          2HE       LYS  32 -10.382  -1.289   0.294
  239   1HZ   LYS  32          1HZ       LYS  32 -12.516   0.464   1.305
  240   2HZ   LYS  32          2HZ       LYS  32 -11.391  -0.181   2.399
  241   3HZ   LYS  32          3HZ       LYS  32 -12.345  -1.220   1.449
  242    H    ARG  33           H        ARG  33  -6.318   4.673   0.836
  243    HA   ARG  33           HA       ARG  33  -7.361   7.268   0.358
  244   1HB   ARG  33          1HB       ARG  33  -5.512   6.066   2.150
  245   2HB   ARG  33          2HB       ARG  33  -4.696   7.417   1.374
  246   1HG   ARG  33          1HG       ARG  33  -6.329   8.955   2.144
  247   2HG   ARG  33          2HG       ARG  33  -7.392   7.651   2.680
  248   1HD   ARG  33          1HD       ARG  33  -4.723   7.533   3.852
  249   2HD   ARG  33          2HD       ARG  33  -5.599   9.009   4.253
  250    HE   ARG  33           HE       ARG  33  -7.461   7.250   4.831
  251   1HH1  ARG  33          1HH1      ARG  33  -4.017   7.067   5.501
  252   2HH1  ARG  33          2HH1      ARG  33  -4.231   6.086   6.921
  253   1HH2  ARG  33          1HH2      ARG  33  -7.726   5.944   6.673
  254   2HH2  ARG  33          2HH2      ARG  33  -6.334   5.410   7.568
  255    H    HIS  34           H        HIS  34  -5.267   5.305  -1.388
  256    HA   HIS  34           HA       HIS  34  -3.784   7.466  -2.632
  257   1HB   HIS  34          1HB       HIS  34  -3.856   4.483  -3.102
  258   2HB   HIS  34          2HB       HIS  34  -2.903   5.586  -4.090
  259    HD1  HIS  34           HD1      HIS  34  -1.457   7.312  -2.153
  260    HD2  HIS  34           HD2      HIS  34  -2.165   3.283  -1.427
  261    HE1  HIS  34           HE1      HIS  34   0.239   6.588  -0.424
  262    H    MET  35           H        MET  35  -6.797   6.082  -2.932
  263    HA   MET  35           HA       MET  35  -7.039   6.637  -5.798
  264   1HB   MET  35          1HB       MET  35  -9.105   5.519  -3.893
  265   2HB   MET  35          2HB       MET  35  -9.229   5.594  -5.644
  266   1HG   MET  35          1HG       MET  35  -7.696   3.899  -5.957
  267   2HG   MET  35          2HG       MET  35  -6.987   4.107  -4.358
  268   1HE   MET  35          1HE       MET  35  -7.241   1.478  -5.246
  269   2HE   MET  35          2HE       MET  35  -7.250   1.352  -3.487
  270   3HE   MET  35          3HE       MET  35  -8.448   0.476  -4.439
  271    H    LEU  36           H        LEU  36  -7.068   8.343  -3.071
  272    HA   LEU  36           HA       LEU  36  -9.221  10.151  -3.936
  273   1HB   LEU  36          1HB       LEU  36  -7.876  10.139  -1.236
  274   2HB   LEU  36          2HB       LEU  36  -9.329  11.000  -1.701
  275    HG   LEU  36           HG       LEU  36  -9.429   8.046  -1.914
  276   1HD1  LEU  36          1HD1      LEU  36  -8.209   8.438   0.205
  277   2HD1  LEU  36          2HD1      LEU  36  -9.554   9.438   0.755
  278   3HD1  LEU  36          3HD1      LEU  36  -9.803   7.724   0.435
  279   1HD2  LEU  36          1HD2      LEU  36 -11.521   8.734  -2.287
  280   2HD2  LEU  36          2HD2      LEU  36 -11.614   8.958  -0.539
  281   3HD2  LEU  36          3HD2      LEU  36 -11.220  10.324  -1.582
  282    H    VAL  37           H        VAL  37  -7.551  10.683  -5.569
  283    HA   VAL  37           HA       VAL  37  -5.143  11.937  -4.741
  284    HB   VAL  37           HB       VAL  37  -5.085  12.711  -7.201
  285   1HG1  VAL  37          1HG1      VAL  37  -5.159   9.788  -6.477
  286   2HG1  VAL  37          2HG1      VAL  37  -4.475  10.438  -7.968
  287   3HG1  VAL  37          3HG1      VAL  37  -3.764  10.866  -6.409
  288   1HG2  VAL  37          1HG2      VAL  37  -7.251  10.651  -7.535
  289   2HG2  VAL  37          2HG2      VAL  37  -7.599  12.378  -7.448
  290   3HG2  VAL  37          3HG2      VAL  37  -6.580  11.747  -8.744
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1   9.366   5.832  -2.871
    2   2H    GLY   1          2H        GLY   1   8.102   6.064  -1.767
    3   3H    GLY   1          3H        GLY   1   8.072   6.856  -3.269
    4   1HA   GLY   1          1HA       GLY   1   6.627   4.767  -2.924
    5   2HA   GLY   1          2HA       GLY   1   7.499   4.989  -4.435
    6    H    SER   2           H        SER   2   7.667   2.804  -4.896
    7    HA   SER   2           HA       SER   2   8.660   0.907  -3.013
    8   1HB   SER   2          1HB       SER   2   9.004  -0.083  -5.641
    9   2HB   SER   2          2HB       SER   2   7.689  -0.439  -4.519
   10    HG   SER   2           HG       SER   2   7.486   0.802  -6.798
   11    H    THR   3           H        THR   3  10.653  -0.151  -3.008
   12    HA   THR   3           HA       THR   3  12.839   1.255  -4.402
   13    HB   THR   3           HB       THR   3  13.440  -0.004  -1.797
   14    HG1  THR   3           HG1      THR   3  11.401   0.994  -1.379
   15   1HG2  THR   3          1HG2      THR   3  14.088   2.818  -2.328
   16   2HG2  THR   3          2HG2      THR   3  14.774   1.660  -3.467
   17   3HG2  THR   3          3HG2      THR   3  15.112   1.506  -1.741
   18    H    ARG   4           H        ARG   4  14.877  -0.096  -4.492
   19    HA   ARG   4           HA       ARG   4  14.167  -2.865  -5.146
   20   1HB   ARG   4          1HB       ARG   4  16.301  -0.983  -6.023
   21   2HB   ARG   4          2HB       ARG   4  16.675  -2.701  -6.027
   22   1HG   ARG   4          1HG       ARG   4  15.639  -2.931  -7.963
   23   2HG   ARG   4          2HG       ARG   4  14.136  -2.360  -7.234
   24   1HD   ARG   4          1HD       ARG   4  16.030  -0.218  -7.808
   25   2HD   ARG   4          2HD       ARG   4  15.527  -1.106  -9.245
   26    HE   ARG   4           HE       ARG   4  13.889   0.613  -7.579
   27   1HH1  ARG   4          1HH1      ARG   4  13.913  -1.937 -10.000
   28   2HH1  ARG   4          2HH1      ARG   4  12.328  -1.542 -10.609
   29   1HH2  ARG   4          1HH2      ARG   4  11.815   1.136  -8.388
   30   2HH2  ARG   4          2HH2      ARG   4  11.152   0.217  -9.704
   31    H    GLY   5           H        GLY   5  16.558  -4.149  -4.904
   32   1HA   GLY   5          1HA       GLY   5  18.092  -5.048  -3.454
   33   2HA   GLY   5          2HA       GLY   5  17.935  -3.595  -2.480
   34    H    SER   6           H        SER   6  16.747  -3.634  -0.658
   35    HA   SER   6           HA       SER   6  15.284  -6.106  -0.017
   36   1HB   SER   6          1HB       SER   6  16.396  -5.196   2.385
   37   2HB   SER   6          2HB       SER   6  16.913  -6.604   1.458
   38    HG   SER   6           HG       SER   6  17.860  -3.971   0.944
   39    H    THR   7           H        THR   7  15.076  -2.969  -0.501
   40    HA   THR   7           HA       THR   7  13.200  -2.317   1.634
   41    HB   THR   7           HB       THR   7  13.193  -0.219  -0.201
   42    HG1  THR   7           HG1      THR   7  15.014  -1.090  -1.265
   43   1HG2  THR   7          1HG2      THR   7  14.484  -0.745   2.437
   44   2HG2  THR   7          2HG2      THR   7  13.206   0.398   2.015
   45   3HG2  THR   7          3HG2      THR   7  14.880   0.741   1.572
   46    H    GLY   8           H        GLY   8  11.308  -3.334   1.306
   47   1HA   GLY   8          1HA       GLY   8   9.220  -3.094  -0.056
   48   2HA   GLY   8          2HA       GLY   8  10.255  -3.425  -1.437
   49    H    ILE   9           H        ILE   9   9.424  -4.844   1.721
   50    HA   ILE   9           HA       ILE   9   9.943  -7.535   0.801
   51    HB   ILE   9           HB       ILE   9   8.395  -6.934   3.286
   52   1HG1  ILE   9          1HG1      ILE   9  11.395  -6.702   3.232
   53   2HG1  ILE   9          2HG1      ILE   9  10.353  -5.296   3.047
   54   1HG2  ILE   9          1HG2      ILE   9  10.327  -9.017   2.360
   55   2HG2  ILE   9          2HG2      ILE   9  10.108  -8.737   4.088
   56   3HG2  ILE   9          3HG2      ILE   9   8.732  -9.209   3.090
   57   1HD1  ILE   9          1HD1      ILE   9  11.106  -5.542   5.339
   58   2HD1  ILE   9          2HD1      ILE   9   9.357  -5.748   5.226
   59   3HD1  ILE   9          3HD1      ILE   9  10.402  -7.156   5.411
   60    H    LYS  10           H        LYS  10   8.092  -9.181   1.326
   61    HA   LYS  10           HA       LYS  10   6.085 -10.066   1.000
   62   1HB   LYS  10          1HB       LYS  10   5.465  -7.307   1.774
   63   2HB   LYS  10          2HB       LYS  10   4.184  -8.117   0.881
   64   1HG   LYS  10          1HG       LYS  10   3.597  -9.280   2.669
   65   2HG   LYS  10          2HG       LYS  10   5.245  -9.870   2.887
   66   1HD   LYS  10          1HD       LYS  10   5.750  -7.625   3.952
   67   2HD   LYS  10          2HD       LYS  10   4.008  -7.353   3.976
   68   1HE   LYS  10          1HE       LYS  10   5.262  -9.810   5.168
   69   2HE   LYS  10          2HE       LYS  10   5.080  -8.315   6.085
   70   1HZ   LYS  10          1HZ       LYS  10   2.650  -8.443   5.501
   71   2HZ   LYS  10          2HZ       LYS  10   3.209  -9.633   6.571
   72   3HZ   LYS  10          3HZ       LYS  10   2.936 -10.021   4.943
   73    HA   PRO  11           HA       PRO  11   5.470 -10.313  -3.297
   74   1HB   PRO  11          1HB       PRO  11   2.702 -11.134  -2.649
   75   2HB   PRO  11          2HB       PRO  11   3.959 -12.003  -3.536
   76   1HG   PRO  11          1HG       PRO  11   3.283 -12.707  -1.058
   77   2HG   PRO  11          2HG       PRO  11   4.963 -12.786  -1.607
   78   1HD   PRO  11          1HD       PRO  11   3.642 -10.751   0.146
   79   2HD   PRO  11          2HD       PRO  11   5.256 -11.443   0.249
   80    H    PHE  12           H        PHE  12   3.027  -8.713  -1.344
   81    HA   PHE  12           HA       PHE  12   2.263  -7.108  -3.688
   82   1HB   PHE  12          1HB       PHE  12   0.601  -7.910  -1.300
   83   2HB   PHE  12          2HB       PHE  12   0.068  -6.802  -2.560
   84    HD1  PHE  12           HD1      PHE  12  -0.067 -10.097  -1.485
   85    HD2  PHE  12           HD2      PHE  12   0.389  -7.785  -5.026
   86    HE1  PHE  12           HE1      PHE  12  -0.850 -12.005  -2.829
   87    HE2  PHE  12           HE2      PHE  12  -0.401  -9.683  -6.374
   88    HZ   PHE  12           HZ       PHE  12  -1.019 -11.800  -5.275
   89    H    GLN  13           H        GLN  13   3.914  -5.647  -3.257
   90    HA   GLN  13           HA       GLN  13   4.031  -4.162  -0.792
   91   1HB   GLN  13          1HB       GLN  13   5.701  -4.760  -2.935
   92   2HB   GLN  13          2HB       GLN  13   5.407  -3.036  -3.070
   93   1HG   GLN  13          1HG       GLN  13   5.973  -3.186  -0.476
   94   2HG   GLN  13          2HG       GLN  13   6.900  -4.560  -1.070
   95   1HE2  GLN  13          1HE2      GLN  13   7.459  -1.700  -0.128
   96   2HE2  GLN  13          2HE2      GLN  13   8.613  -1.119  -1.286
   97    H    CYS  14           H        CYS  14   3.670  -1.885  -0.644
   98    HA   CYS  14           HA       CYS  14   1.731  -0.810  -2.535
   99   1HB   CYS  14          1HB       CYS  14   1.524  -0.141  -0.130
  100   2HB   CYS  14          2HB       CYS  14   3.063   0.713  -0.290
  101    HA   PRO  15           HA       PRO  15   5.213   0.588  -4.980
  102   1HB   PRO  15          1HB       PRO  15   3.762   1.577  -7.029
  103   2HB   PRO  15          2HB       PRO  15   4.019  -0.158  -6.810
  104   1HG   PRO  15          1HG       PRO  15   1.633   1.505  -6.119
  105   2HG   PRO  15          2HG       PRO  15   1.702  -0.114  -6.836
  106   1HD   PRO  15          1HD       PRO  15   1.207   0.357  -4.187
  107   2HD   PRO  15          2HD       PRO  15   1.942  -1.137  -4.803
  108    H    ASP  16           H        ASP  16   2.906   2.273  -3.262
  109    HA   ASP  16           HA       ASP  16   3.806   4.900  -4.199
  110   1HB   ASP  16          1HB       ASP  16   1.340   3.805  -3.034
  111   2HB   ASP  16          2HB       ASP  16   1.810   5.367  -2.392
  112    H    CYS  17           H        CYS  17   4.118   2.687  -1.603
  113    HA   CYS  17           HA       CYS  17   5.102   4.842   0.138
  114   1HB   CYS  17          1HB       CYS  17   3.535   2.373   0.807
  115   2HB   CYS  17          2HB       CYS  17   4.312   3.379   2.024
  116    H    ASP  18           H        ASP  18   5.639   1.546  -0.883
  117    HA   ASP  18           HA       ASP  18   7.486   0.136  -0.621
  118   1HB   ASP  18          1HB       ASP  18   8.792   2.408   0.017
  119   2HB   ASP  18          2HB       ASP  18   8.732   1.645   1.603
  120    H    ARG  19           H        ARG  19   4.955   0.774   0.906
  121    HA   ARG  19           HA       ARG  19   5.230  -0.669   3.390
  122   1HB   ARG  19          1HB       ARG  19   3.094   0.657   1.901
  123   2HB   ARG  19          2HB       ARG  19   2.586  -0.892   2.565
  124   1HG   ARG  19          1HG       ARG  19   2.908  -0.208   4.752
  125   2HG   ARG  19          2HG       ARG  19   4.004   1.089   4.283
  126   1HD   ARG  19          1HD       ARG  19   2.037   2.196   4.863
  127   2HD   ARG  19          2HD       ARG  19   1.986   2.118   3.100
  128    HE   ARG  19           HE       ARG  19   0.209   0.656   3.218
  129   1HH1  ARG  19          1HH1      ARG  19   1.527   1.246   6.428
  130   2HH1  ARG  19          2HH1      ARG  19   0.222   0.441   7.253
  131   1HH2  ARG  19          1HH2      ARG  19  -1.527  -0.373   4.331
  132   2HH2  ARG  19          2HH2      ARG  19  -1.511  -0.480   6.064
  133    H    SER  20           H        SER  20   3.948  -2.813   3.562
  134    HA   SER  20           HA       SER  20   4.204  -4.353   1.084
  135   1HB   SER  20          1HB       SER  20   5.399  -6.027   2.928
  136   2HB   SER  20          2HB       SER  20   6.237  -5.076   1.700
  137    HG   SER  20           HG       SER  20   7.018  -3.850   3.215
  138    H    PHE  21           H        PHE  21   2.775  -5.949   0.853
  139    HA   PHE  21           HA       PHE  21   1.330  -6.892   3.235
  140   1HB   PHE  21          1HB       PHE  21  -0.015  -6.229   0.610
  141   2HB   PHE  21          2HB       PHE  21  -0.793  -6.702   2.119
  142    HD1  PHE  21           HD1      PHE  21   0.957  -4.003   0.356
  143    HD2  PHE  21           HD2      PHE  21  -1.133  -5.136   3.884
  144    HE1  PHE  21           HE1      PHE  21   0.820  -1.644   1.024
  145    HE2  PHE  21           HE2      PHE  21  -1.279  -2.776   4.555
  146    HZ   PHE  21           HZ       PHE  21  -0.289  -1.033   3.130
  147    H    SER  22           H        SER  22   0.598  -9.004   3.147
  148    HA   SER  22           HA       SER  22   1.963 -10.677   1.205
  149   1HB   SER  22          1HB       SER  22   0.218 -12.043   3.098
  150   2HB   SER  22          2HB       SER  22   1.961 -12.183   2.875
  151    HG   SER  22           HG       SER  22   0.725 -11.066   4.884
  152    H    ARG  23           H        ARG  23  -1.083  -9.273   1.780
  153    HA   ARG  23           HA       ARG  23  -2.360 -10.962  -0.266
  154   1HB   ARG  23          1HB       ARG  23  -3.443  -9.614   2.184
  155   2HB   ARG  23          2HB       ARG  23  -4.500  -9.981   0.833
  156   1HG   ARG  23          1HG       ARG  23  -3.060 -12.330   1.352
  157   2HG   ARG  23          2HG       ARG  23  -3.569 -11.690   2.922
  158   1HD   ARG  23          1HD       ARG  23  -5.369 -12.087   0.544
  159   2HD   ARG  23          2HD       ARG  23  -5.232 -13.214   1.895
  160    HE   ARG  23           HE       ARG  23  -6.097 -10.419   2.302
  161   1HH1  ARG  23          1HH1      ARG  23  -6.655 -13.865   2.625
  162   2HH1  ARG  23          2HH1      ARG  23  -8.050 -13.666   3.641
  163   1HH2  ARG  23          1HH2      ARG  23  -7.894 -10.155   3.648
  164   2HH2  ARG  23          2HH2      ARG  23  -8.749 -11.547   4.241
  165    H    SER  24           H        SER  24  -3.256  -9.992  -1.994
  166    HA   SER  24           HA       SER  24  -2.617  -7.283  -2.631
  167   1HB   SER  24          1HB       SER  24  -3.428  -9.528  -4.053
  168   2HB   SER  24          2HB       SER  24  -4.813  -8.444  -4.163
  169    HG   SER  24           HG       SER  24  -3.400  -7.998  -5.849
  170    H    ASP  25           H        ASP  25  -5.242  -8.915  -1.104
  171    HA   ASP  25           HA       ASP  25  -7.266  -6.993  -1.387
  172   1HB   ASP  25          1HB       ASP  25  -8.353  -8.675  -0.403
  173   2HB   ASP  25          2HB       ASP  25  -6.844  -9.473  -0.042
  174    H    HIS  26           H        HIS  26  -4.894  -7.509   1.176
  175    HA   HIS  26           HA       HIS  26  -5.663  -5.292   2.745
  176   1HB   HIS  26          1HB       HIS  26  -3.474  -7.237   2.735
  177   2HB   HIS  26          2HB       HIS  26  -2.997  -5.651   3.332
  178    HD1  HIS  26           HD1      HIS  26  -2.944  -5.932   5.808
  179    HD2  HIS  26           HD2      HIS  26  -6.384  -7.543   4.105
  180    HE1  HIS  26           HE1      HIS  26  -4.393  -6.638   7.737
  181    HE2  HIS  26           HE2      HIS  26  -6.474  -7.600   6.693
  182    H    LEU  27           H        LEU  27  -3.452  -5.682   0.069
  183    HA   LEU  27           HA       LEU  27  -2.133  -3.206   0.117
  184   1HB   LEU  27          1HB       LEU  27  -1.711  -5.191  -1.432
  185   2HB   LEU  27          2HB       LEU  27  -3.076  -4.625  -2.374
  186    HG   LEU  27           HG       LEU  27  -1.896  -2.980  -3.349
  187   1HD1  LEU  27          1HD1      LEU  27  -0.984  -1.305  -2.226
  188   2HD1  LEU  27          2HD1      LEU  27  -1.390  -2.191  -0.754
  189   3HD1  LEU  27          3HD1      LEU  27   0.215  -2.360  -1.470
  190   1HD2  LEU  27          1HD2      LEU  27  -0.529  -4.802  -3.901
  191   2HD2  LEU  27          2HD2      LEU  27   0.563  -3.486  -3.478
  192   3HD2  LEU  27          3HD2      LEU  27   0.264  -4.789  -2.326
  193    H    ALA  28           H        ALA  28  -4.979  -4.141  -1.830
  194    HA   ALA  28           HA       ALA  28  -5.591  -1.602  -2.771
  195   1HB   ALA  28          1HB       ALA  28  -7.510  -2.524  -3.635
  196   2HB   ALA  28          2HB       ALA  28  -6.537  -3.969  -3.363
  197   3HB   ALA  28          3HB       ALA  28  -7.800  -3.528  -2.215
  198    H    LEU  29           H        LEU  29  -6.611  -3.176   0.235
  199    HA   LEU  29           HA       LEU  29  -8.535  -1.348   1.091
  200   1HB   LEU  29          1HB       LEU  29  -6.604  -3.078   2.602
  201   2HB   LEU  29          2HB       LEU  29  -7.763  -2.046   3.413
  202    HG   LEU  29           HG       LEU  29  -8.490  -4.246   1.483
  203   1HD1  LEU  29          1HD1      LEU  29  -9.389  -5.288   3.625
  204   2HD1  LEU  29          2HD1      LEU  29  -7.641  -5.325   3.378
  205   3HD1  LEU  29          3HD1      LEU  29  -8.352  -4.142   4.478
  206   1HD2  LEU  29          1HD2      LEU  29 -10.760  -3.877   2.267
  207   2HD2  LEU  29          2HD2      LEU  29 -10.203  -2.569   3.312
  208   3HD2  LEU  29          3HD2      LEU  29 -10.102  -2.402   1.559
  209    H    HIS  30           H        HIS  30  -5.040  -1.399   1.717
  210    HA   HIS  30           HA       HIS  30  -5.016   1.052   3.149
  211   1HB   HIS  30          1HB       HIS  30  -3.120  -0.182   3.607
  212   2HB   HIS  30          2HB       HIS  30  -2.945  -0.738   1.948
  213    HD1  HIS  30           HD1      HIS  30  -2.550   2.558   3.847
  214    HD2  HIS  30           HD2      HIS  30  -0.950   0.455   0.636
  215    HE1  HIS  30           HE1      HIS  30  -0.650   3.966   2.943
  216    H    ARG  31           H        ARG  31  -4.630   0.206  -0.244
  217    HA   ARG  31           HA       ARG  31  -3.639   2.746  -1.016
  218   1HB   ARG  31          1HB       ARG  31  -4.770   0.442  -2.591
  219   2HB   ARG  31          2HB       ARG  31  -4.179   1.913  -3.352
  220   1HG   ARG  31          1HG       ARG  31  -2.045   1.399  -1.891
  221   2HG   ARG  31          2HG       ARG  31  -2.678  -0.244  -1.965
  222   1HD   ARG  31          1HD       ARG  31  -1.223  -0.102  -3.786
  223   2HD   ARG  31          2HD       ARG  31  -2.830   0.123  -4.490
  224    HE   ARG  31           HE       ARG  31  -0.868   2.269  -3.987
  225   1HH1  ARG  31          1HH1      ARG  31  -3.580   0.951  -5.761
  226   2HH1  ARG  31          2HH1      ARG  31  -3.685   2.298  -6.859
  227   1HH2  ARG  31          1HH2      ARG  31  -1.011   4.065  -5.414
  228   2HH2  ARG  31          2HH2      ARG  31  -2.253   4.074  -6.640
  229    H    LYS  32           H        LYS  32  -6.628   1.975   0.050
  230    HA   LYS  32           HA       LYS  32  -8.347   3.393  -1.700
  231   1HB   LYS  32          1HB       LYS  32  -8.516   2.144   0.898
  232   2HB   LYS  32          2HB       LYS  32  -9.330   3.703   0.911
  233   1HG   LYS  32          1HG       LYS  32 -10.834   1.844   0.357
  234   2HG   LYS  32          2HG       LYS  32 -10.726   3.042  -0.935
  235   1HD   LYS  32          1HD       LYS  32  -9.851   1.566  -2.380
  236   2HD   LYS  32          2HD       LYS  32  -8.753   0.900  -1.166
  237   1HE   LYS  32          1HE       LYS  32 -10.036  -0.921  -1.232
  238   2HE   LYS  32          2HE       LYS  32 -11.211   0.025  -0.319
  239   1HZ   LYS  32          1HZ       LYS  32 -12.593  -0.294  -2.011
  240   2HZ   LYS  32          2HZ       LYS  32 -11.375  -0.955  -2.988
  241   3HZ   LYS  32          3HZ       LYS  32 -11.612   0.724  -2.946
  242    H    ARG  33           H        ARG  33  -6.095   4.330   0.761
  243    HA   ARG  33           HA       ARG  33  -7.057   7.041   0.976
  244   1HB   ARG  33          1HB       ARG  33  -4.531   5.716   1.969
  245   2HB   ARG  33          2HB       ARG  33  -4.985   7.378   2.323
  246   1HG   ARG  33          1HG       ARG  33  -6.942   6.633   3.516
  247   2HG   ARG  33          2HG       ARG  33  -6.606   4.956   3.080
  248   1HD   ARG  33          1HD       ARG  33  -5.844   6.132   5.404
  249   2HD   ARG  33          2HD       ARG  33  -5.056   4.727   4.690
  250    HE   ARG  33           HE       ARG  33  -4.101   7.459   4.110
  251   1HH1  ARG  33          1HH1      ARG  33  -3.552   4.220   5.336
  252   2HH1  ARG  33          2HH1      ARG  33  -1.829   4.433   5.491
  253   1HH2  ARG  33          1HH2      ARG  33  -1.832   7.726   4.276
  254   2HH2  ARG  33          2HH2      ARG  33  -0.859   6.420   4.876
  255    H    HIS  34           H        HIS  34  -5.356   5.373  -1.339
  256    HA   HIS  34           HA       HIS  34  -3.694   7.657  -2.095
  257   1HB   HIS  34          1HB       HIS  34  -3.829   4.814  -3.099
  258   2HB   HIS  34          2HB       HIS  34  -2.846   6.058  -3.870
  259    HD1  HIS  34           HD1      HIS  34  -1.622   7.431  -1.404
  260    HD2  HIS  34           HD2      HIS  34  -2.002   3.301  -1.793
  261    HE1  HIS  34           HE1      HIS  34   0.103   6.397   0.131
  262    H    MET  35           H        MET  35  -6.763   6.722  -2.460
  263    HA   MET  35           HA       MET  35  -7.130   7.580  -5.215
  264   1HB   MET  35          1HB       MET  35  -9.099   6.888  -3.028
  265   2HB   MET  35          2HB       MET  35  -9.563   7.384  -4.650
  266   1HG   MET  35          1HG       MET  35  -7.793   5.327  -5.103
  267   2HG   MET  35          2HG       MET  35  -8.673   4.801  -3.671
  268   1HE   MET  35          1HE       MET  35 -10.134   2.687  -6.268
  269   2HE   MET  35          2HE       MET  35  -9.256   3.708  -7.411
  270   3HE   MET  35          3HE       MET  35  -8.497   3.226  -5.890
  271    H    LEU  36           H        LEU  36  -6.770   8.834  -2.124
  272    HA   LEU  36           HA       LEU  36  -7.525  11.510  -3.065
  273   1HB   LEU  36          1HB       LEU  36  -7.679  10.491  -0.223
  274   2HB   LEU  36          2HB       LEU  36  -7.988  12.140  -0.730
  275    HG   LEU  36           HG       LEU  36  -9.608   9.879  -1.849
  276   1HD1  LEU  36          1HD1      LEU  36  -9.950  11.248   0.803
  277   2HD1  LEU  36          2HD1      LEU  36 -11.284  10.463  -0.043
  278   3HD1  LEU  36          3HD1      LEU  36  -9.883   9.520   0.465
  279   1HD2  LEU  36          1HD2      LEU  36 -10.154  12.810  -1.380
  280   2HD2  LEU  36          2HD2      LEU  36  -9.787  12.049  -2.930
  281   3HD2  LEU  36          3HD2      LEU  36 -11.287  11.653  -2.086
  282    H    VAL  37           H        VAL  37  -5.194  10.695  -3.767
  283    HA   VAL  37           HA       VAL  37  -3.143  10.929  -1.791
  284    HB   VAL  37           HB       VAL  37  -2.864   9.468  -3.739
  285   1HG1  VAL  37          1HG1      VAL  37  -2.146  11.007  -5.864
  286   2HG1  VAL  37          2HG1      VAL  37  -3.721  10.241  -5.658
  287   3HG1  VAL  37          3HG1      VAL  37  -3.493  11.928  -5.196
  288   1HG2  VAL  37          1HG2      VAL  37  -0.598  10.209  -4.439
  289   2HG2  VAL  37          2HG2      VAL  37  -0.886  11.739  -3.608
  290   3HG2  VAL  37          3HG2      VAL  37  -0.842  10.231  -2.692
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1   5.524   6.478   3.793
    2   2H    GLY   1          2H        GLY   1   5.185   6.884   2.181
    3   3H    GLY   1          3H        GLY   1   6.320   7.784   3.059
    4   1HA   GLY   1          1HA       GLY   1   6.579   4.974   2.155
    5   2HA   GLY   1          2HA       GLY   1   7.507   6.353   1.591
    6    H    SER   2           H        SER   2   9.361   5.048   2.153
    7    HA   SER   2           HA       SER   2  11.136   4.503   3.442
    8   1HB   SER   2          1HB       SER   2  10.058   6.600   5.336
    9   2HB   SER   2          2HB       SER   2  11.715   6.000   5.266
   10    HG   SER   2           HG       SER   2  11.413   6.750   2.886
   11    H    THR   3           H        THR   3   9.688   2.492   3.683
   12    HA   THR   3           HA       THR   3   8.541   1.987   6.247
   13    HB   THR   3           HB       THR   3   9.147  -0.448   4.916
   14    HG1  THR   3           HG1      THR   3   8.192   0.133   2.835
   15   1HG2  THR   3          1HG2      THR   3   7.012  -0.741   5.495
   16   2HG2  THR   3          2HG2      THR   3   6.508   0.469   4.316
   17   3HG2  THR   3          3HG2      THR   3   6.917   0.958   5.961
   18    H    ARG   4           H        ARG   4  10.678   2.797   7.253
   19    HA   ARG   4           HA       ARG   4  12.467   2.397   8.578
   20   1HB   ARG   4          1HB       ARG   4  10.928  -0.099   8.620
   21   2HB   ARG   4          2HB       ARG   4  12.619  -0.294   9.060
   22   1HG   ARG   4          1HG       ARG   4  11.920   0.231  11.113
   23   2HG   ARG   4          2HG       ARG   4  11.939   1.892  10.518
   24   1HD   ARG   4          1HD       ARG   4   9.588   1.719   9.917
   25   2HD   ARG   4          2HD       ARG   4   9.559   0.042  10.465
   26    HE   ARG   4           HE       ARG   4  10.049   2.340  12.261
   27   1HH1  ARG   4          1HH1      ARG   4   8.705  -0.828  11.601
   28   2HH1  ARG   4          2HH1      ARG   4   7.900  -0.943  13.138
   29   1HH2  ARG   4          1HH2      ARG   4   9.028   2.158  14.312
   30   2HH2  ARG   4          2HH2      ARG   4   8.082   0.736  14.672
   31    H    GLY   5           H        GLY   5  13.122  -0.831   7.650
   32   1HA   GLY   5          1HA       GLY   5  15.352   0.154   5.977
   33   2HA   GLY   5          2HA       GLY   5  15.479  -1.217   7.071
   34    H    SER   6           H        SER   6  13.144  -2.561   6.496
   35    HA   SER   6           HA       SER   6  13.810  -3.717   3.925
   36   1HB   SER   6          1HB       SER   6  11.444  -4.574   5.552
   37   2HB   SER   6          2HB       SER   6  12.552  -5.553   4.589
   38    HG   SER   6           HG       SER   6  14.164  -4.774   6.282
   39    H    THR   7           H        THR   7  13.277  -1.832   2.690
   40    HA   THR   7           HA       THR   7  10.599  -0.833   2.681
   41    HB   THR   7           HB       THR   7  11.885   0.209   0.446
   42    HG1  THR   7           HG1      THR   7  13.971   0.791   1.692
   43   1HG2  THR   7          1HG2      THR   7  10.750   1.156   2.737
   44   2HG2  THR   7          2HG2      THR   7  11.576   2.159   1.540
   45   3HG2  THR   7          3HG2      THR   7  12.442   1.599   2.973
   46    H    GLY   8           H        GLY   8   9.617  -2.942   2.132
   47   1HA   GLY   8          1HA       GLY   8   8.200  -3.274   0.073
   48   2HA   GLY   8          2HA       GLY   8   9.729  -3.466  -0.770
   49    H    ILE   9           H        ILE   9   8.331  -4.748   2.234
   50    HA   ILE   9           HA       ILE   9   9.357  -7.409   1.711
   51    HB   ILE   9           HB       ILE   9   7.314  -6.793   3.812
   52   1HG1  ILE   9          1HG1      ILE   9  10.236  -6.341   4.332
   53   2HG1  ILE   9          2HG1      ILE   9   9.217  -5.036   3.731
   54   1HG2  ILE   9          1HG2      ILE   9   9.264  -8.893   3.249
   55   2HG2  ILE   9          2HG2      ILE   9   9.273  -8.348   4.925
   56   3HG2  ILE   9          3HG2      ILE   9   7.780  -8.948   4.204
   57   1HD1  ILE   9          1HD1      ILE   9   7.695  -5.751   5.752
   58   2HD1  ILE   9          2HD1      ILE   9   9.221  -6.378   6.376
   59   3HD1  ILE   9          3HD1      ILE   9   9.069  -4.669   5.971
   60    H    LYS  10           H        LYS  10   7.802  -9.290   1.735
   61    HA   LYS  10           HA       LYS  10   6.016 -10.455   0.974
   62   1HB   LYS  10          1HB       LYS  10   4.633  -7.862   1.644
   63   2HB   LYS  10          2HB       LYS  10   3.768  -9.299   1.120
   64   1HG   LYS  10          1HG       LYS  10   3.830 -10.162   3.161
   65   2HG   LYS  10          2HG       LYS  10   5.578  -9.934   3.267
   66   1HD   LYS  10          1HD       LYS  10   5.296  -7.674   4.022
   67   2HD   LYS  10          2HD       LYS  10   3.558  -7.746   3.734
   68   1HE   LYS  10          1HE       LYS  10   3.651  -9.740   5.417
   69   2HE   LYS  10          2HE       LYS  10   5.177  -9.004   5.910
   70   1HZ   LYS  10          1HZ       LYS  10   4.080  -7.021   6.520
   71   2HZ   LYS  10          2HZ       LYS  10   3.136  -8.277   7.166
   72   3HZ   LYS  10          3HZ       LYS  10   2.637  -7.484   5.757
   73    HA   PRO  11           HA       PRO  11   5.846 -10.008  -3.352
   74   1HB   PRO  11          1HB       PRO  11   3.454 -11.246  -3.915
   75   2HB   PRO  11          2HB       PRO  11   4.967 -12.090  -3.571
   76   1HG   PRO  11          1HG       PRO  11   2.682 -11.476  -1.740
   77   2HG   PRO  11          2HG       PRO  11   3.622 -12.973  -1.890
   78   1HD   PRO  11          1HD       PRO  11   4.077 -11.254   0.102
   79   2HD   PRO  11          2HD       PRO  11   5.418 -12.101  -0.695
   80    H    PHE  12           H        PHE  12   3.346  -8.600  -1.445
   81    HA   PHE  12           HA       PHE  12   2.509  -6.960  -3.742
   82   1HB   PHE  12          1HB       PHE  12   0.796  -7.831  -1.407
   83   2HB   PHE  12          2HB       PHE  12   0.274  -6.812  -2.742
   84    HD1  PHE  12           HD1      PHE  12   0.871  -7.985  -5.143
   85    HD2  PHE  12           HD2      PHE  12   0.050  -9.977  -1.476
   86    HE1  PHE  12           HE1      PHE  12   0.179  -9.987  -6.389
   87    HE2  PHE  12           HE2      PHE  12  -0.646 -11.984  -2.717
   88    HZ   PHE  12           HZ       PHE  12  -0.581 -11.990  -5.179
   89    H    GLN  13           H        GLN  13   3.985  -5.315  -3.218
   90    HA   GLN  13           HA       GLN  13   3.691  -4.042  -0.598
   91   1HB   GLN  13          1HB       GLN  13   5.545  -3.369  -2.877
   92   2HB   GLN  13          2HB       GLN  13   5.556  -2.632  -1.278
   93   1HG   GLN  13          1HG       GLN  13   6.881  -4.184  -0.531
   94   2HG   GLN  13          2HG       GLN  13   5.726  -5.429  -0.998
   95   1HE2  GLN  13          1HE2      GLN  13   6.373  -6.822  -2.448
   96   2HE2  GLN  13          2HE2      GLN  13   7.691  -6.626  -3.561
   97    H    CYS  14           H        CYS  14   3.673  -1.666  -0.605
   98    HA   CYS  14           HA       CYS  14   1.673  -0.603  -2.441
   99   1HB   CYS  14          1HB       CYS  14   1.612   0.226  -0.118
  100   2HB   CYS  14          2HB       CYS  14   3.239   0.882  -0.318
  101    HA   PRO  15           HA       PRO  15   4.944   0.560  -5.206
  102   1HB   PRO  15          1HB       PRO  15   3.429   1.842  -7.042
  103   2HB   PRO  15          2HB       PRO  15   3.457   0.082  -6.895
  104   1HG   PRO  15          1HG       PRO  15   1.432   2.037  -5.899
  105   2HG   PRO  15          2HG       PRO  15   1.186   0.439  -6.627
  106   1HD   PRO  15          1HD       PRO  15   1.083   0.929  -3.933
  107   2HD   PRO  15          2HD       PRO  15   1.496  -0.644  -4.638
  108    H    ASP  16           H        ASP  16   3.008   2.671  -3.353
  109    HA   ASP  16           HA       ASP  16   4.516   5.021  -4.307
  110   1HB   ASP  16          1HB       ASP  16   2.045   5.237  -4.290
  111   2HB   ASP  16          2HB       ASP  16   2.050   4.945  -2.554
  112    H    CYS  17           H        CYS  17   3.654   3.190  -1.434
  113    HA   CYS  17           HA       CYS  17   5.336   4.916   0.189
  114   1HB   CYS  17          1HB       CYS  17   3.568   2.623   1.034
  115   2HB   CYS  17          2HB       CYS  17   4.381   3.753   2.113
  116    H    ASP  18           H        ASP  18   5.263   1.683  -1.052
  117    HA   ASP  18           HA       ASP  18   6.849   0.038  -1.140
  118   1HB   ASP  18          1HB       ASP  18   8.475   2.230  -0.152
  119   2HB   ASP  18          2HB       ASP  18   8.934   0.693   0.579
  120    H    ARG  19           H        ARG  19   4.702   0.417   0.676
  121    HA   ARG  19           HA       ARG  19   5.417  -0.698   3.223
  122   1HB   ARG  19          1HB       ARG  19   2.958   0.142   1.844
  123   2HB   ARG  19          2HB       ARG  19   2.750  -1.261   2.886
  124   1HG   ARG  19          1HG       ARG  19   3.029  -0.071   4.771
  125   2HG   ARG  19          2HG       ARG  19   4.255   0.976   4.057
  126   1HD   ARG  19          1HD       ARG  19   2.495   2.434   4.371
  127   2HD   ARG  19          2HD       ARG  19   2.272   1.940   2.693
  128    HE   ARG  19           HE       ARG  19   0.318   0.894   3.282
  129   1HH1  ARG  19          1HH1      ARG  19   2.102   1.775   6.168
  130   2HH1  ARG  19          2HH1      ARG  19   0.833   1.306   7.255
  131   1HH2  ARG  19          1HH2      ARG  19  -1.374   0.293   4.733
  132   2HH2  ARG  19          2HH2      ARG  19  -1.146   0.481   6.445
  133    H    SER  20           H        SER  20   3.666  -2.835   3.568
  134    HA   SER  20           HA       SER  20   4.318  -4.703   1.423
  135   1HB   SER  20          1HB       SER  20   5.198  -6.178   3.483
  136   2HB   SER  20          2HB       SER  20   6.249  -5.146   2.508
  137    HG   SER  20           HG       SER  20   5.185  -3.617   4.387
  138    H    PHE  21           H        PHE  21   2.713  -6.001   1.047
  139    HA   PHE  21           HA       PHE  21   1.004  -6.887   3.273
  140   1HB   PHE  21          1HB       PHE  21  -0.136  -6.210   0.566
  141   2HB   PHE  21          2HB       PHE  21  -0.988  -6.428   2.091
  142    HD1  PHE  21           HD1      PHE  21  -1.333  -4.617   3.568
  143    HD2  PHE  21           HD2      PHE  21   1.227  -4.146   0.203
  144    HE1  PHE  21           HE1      PHE  21  -1.272  -2.187   3.955
  145    HE2  PHE  21           HE2      PHE  21   1.287  -1.720   0.582
  146    HZ   PHE  21           HZ       PHE  21   0.040  -0.741   2.460
  147    H    SER  22           H        SER  22   0.581  -9.030   3.253
  148    HA   SER  22           HA       SER  22   1.835 -10.671   1.263
  149   1HB   SER  22          1HB       SER  22  -0.007 -11.871   3.266
  150   2HB   SER  22          2HB       SER  22   1.609 -12.365   2.778
  151    HG   SER  22           HG       SER  22   2.372 -11.331   4.419
  152    H    ARG  23           H        ARG  23  -1.316  -9.443   1.903
  153    HA   ARG  23           HA       ARG  23  -2.422 -11.034  -0.330
  154   1HB   ARG  23          1HB       ARG  23  -3.926  -9.772   1.980
  155   2HB   ARG  23          2HB       ARG  23  -4.645 -10.674   0.654
  156   1HG   ARG  23          1HG       ARG  23  -3.038 -12.567   1.493
  157   2HG   ARG  23          2HG       ARG  23  -3.094 -11.642   2.997
  158   1HD   ARG  23          1HD       ARG  23  -5.120 -13.345   1.760
  159   2HD   ARG  23          2HD       ARG  23  -4.922 -12.851   3.438
  160    HE   ARG  23           HE       ARG  23  -5.996 -10.680   2.681
  161   1HH1  ARG  23          1HH1      ARG  23  -6.693 -13.789   1.218
  162   2HH1  ARG  23          2HH1      ARG  23  -8.281 -13.324   0.681
  163   1HH2  ARG  23          1HH2      ARG  23  -8.078 -10.065   1.980
  164   2HH2  ARG  23          2HH2      ARG  23  -9.076 -11.203   1.126
  165    H    SER  24           H        SER  24  -3.133 -10.047  -1.999
  166    HA   SER  24           HA       SER  24  -2.458  -7.384  -2.488
  167   1HB   SER  24          1HB       SER  24  -4.356  -8.173  -4.389
  168   2HB   SER  24          2HB       SER  24  -2.605  -8.304  -4.512
  169    HG   SER  24           HG       SER  24  -3.578 -10.320  -4.835
  170    H    ASP  25           H        ASP  25  -5.246  -8.829  -1.107
  171    HA   ASP  25           HA       ASP  25  -7.144  -6.756  -1.533
  172   1HB   ASP  25          1HB       ASP  25  -8.061  -8.773  -0.768
  173   2HB   ASP  25          2HB       ASP  25  -6.844  -8.970   0.479
  174    H    HIS  26           H        HIS  26  -4.861  -7.485   1.063
  175    HA   HIS  26           HA       HIS  26  -5.408  -5.285   2.712
  176   1HB   HIS  26          1HB       HIS  26  -3.380  -7.338   2.557
  177   2HB   HIS  26          2HB       HIS  26  -2.667  -5.784   2.986
  178    HD1  HIS  26           HD1      HIS  26  -2.562  -5.497   5.449
  179    HD2  HIS  26           HD2      HIS  26  -5.911  -7.643   4.253
  180    HE1  HIS  26           HE1      HIS  26  -3.794  -6.046   7.566
  181    HE2  HIS  26           HE2      HIS  26  -5.935  -7.132   6.796
  182    H    LEU  27           H        LEU  27  -3.356  -5.626  -0.117
  183    HA   LEU  27           HA       LEU  27  -1.967  -3.190  -0.027
  184   1HB   LEU  27          1HB       LEU  27  -1.687  -5.098  -1.692
  185   2HB   LEU  27          2HB       LEU  27  -3.089  -4.457  -2.522
  186    HG   LEU  27           HG       LEU  27  -1.934  -2.777  -3.475
  187   1HD1  LEU  27          1HD1      LEU  27  -1.537  -1.731  -1.221
  188   2HD1  LEU  27          2HD1      LEU  27   0.023  -2.558  -1.212
  189   3HD1  LEU  27          3HD1      LEU  27  -0.344  -1.375  -2.469
  190   1HD2  LEU  27          1HD2      LEU  27  -0.656  -4.730  -4.088
  191   2HD2  LEU  27          2HD2      LEU  27   0.395  -3.320  -3.948
  192   3HD2  LEU  27          3HD2      LEU  27   0.369  -4.534  -2.665
  193    H    ALA  28           H        ALA  28  -4.923  -3.975  -1.827
  194    HA   ALA  28           HA       ALA  28  -5.599  -1.399  -2.605
  195   1HB   ALA  28          1HB       ALA  28  -8.018  -2.780  -2.226
  196   2HB   ALA  28          2HB       ALA  28  -7.087  -2.610  -3.716
  197   3HB   ALA  28          3HB       ALA  28  -6.815  -3.993  -2.656
  198    H    LEU  29           H        LEU  29  -6.486  -3.165   0.353
  199    HA   LEU  29           HA       LEU  29  -8.338  -1.427   1.452
  200   1HB   LEU  29          1HB       LEU  29  -6.212  -3.071   2.809
  201   2HB   LEU  29          2HB       LEU  29  -7.467  -2.210   3.675
  202    HG   LEU  29           HG       LEU  29  -7.981  -4.381   1.646
  203   1HD1  LEU  29          1HD1      LEU  29  -6.973  -5.471   3.450
  204   2HD1  LEU  29          2HD1      LEU  29  -7.750  -4.421   4.636
  205   3HD1  LEU  29          3HD1      LEU  29  -8.703  -5.620   3.760
  206   1HD2  LEU  29          1HD2      LEU  29 -10.178  -4.166   3.252
  207   2HD2  LEU  29          2HD2      LEU  29  -9.674  -2.484   3.086
  208   3HD2  LEU  29          3HD2      LEU  29 -10.013  -3.447   1.648
  209    H    HIS  30           H        HIS  30  -4.807  -1.292   1.682
  210    HA   HIS  30           HA       HIS  30  -4.819   1.142   3.217
  211   1HB   HIS  30          1HB       HIS  30  -2.856  -0.022   3.621
  212   2HB   HIS  30          2HB       HIS  30  -2.726  -0.594   1.963
  213    HD1  HIS  30           HD1      HIS  30  -2.303   2.688   3.878
  214    HD2  HIS  30           HD2      HIS  30  -0.874   0.707   0.504
  215    HE1  HIS  30           HE1      HIS  30  -0.493   4.153   2.895
  216    H    ARG  31           H        ARG  31  -4.494   0.218  -0.145
  217    HA   ARG  31           HA       ARG  31  -3.613   2.757  -1.033
  218   1HB   ARG  31          1HB       ARG  31  -4.638   0.311  -2.436
  219   2HB   ARG  31          2HB       ARG  31  -4.262   1.788  -3.316
  220   1HG   ARG  31          1HG       ARG  31  -1.993   1.571  -1.971
  221   2HG   ARG  31          2HG       ARG  31  -2.452  -0.132  -1.966
  222   1HD   ARG  31          1HD       ARG  31  -1.106   0.196  -3.886
  223   2HD   ARG  31          2HD       ARG  31  -2.780   0.074  -4.457
  224    HE   ARG  31           HE       ARG  31  -1.126   2.497  -4.326
  225   1HH1  ARG  31          1HH1      ARG  31  -4.049   0.889  -5.406
  226   2HH1  ARG  31          2HH1      ARG  31  -4.597   2.242  -6.355
  227   1HH2  ARG  31          1HH2      ARG  31  -1.853   4.285  -5.571
  228   2HH2  ARG  31          2HH2      ARG  31  -3.348   4.167  -6.451
  229    H    LYS  32           H        LYS  32  -6.632   1.862   0.026
  230    HA   LYS  32           HA       LYS  32  -8.329   3.111  -1.855
  231   1HB   LYS  32          1HB       LYS  32  -8.560   2.125   0.912
  232   2HB   LYS  32          2HB       LYS  32  -9.652   3.444   0.512
  233   1HG   LYS  32          1HG       LYS  32 -11.020   1.952  -0.383
  234   2HG   LYS  32          2HG       LYS  32  -9.815   1.677  -1.643
  235   1HD   LYS  32          1HD       LYS  32  -8.729   0.069   0.052
  236   2HD   LYS  32          2HD       LYS  32 -10.286   0.137   0.884
  237   1HE   LYS  32          1HE       LYS  32 -11.066  -0.309  -1.682
  238   2HE   LYS  32          2HE       LYS  32  -9.537  -1.185  -1.629
  239   1HZ   LYS  32          1HZ       LYS  32 -10.446  -2.782  -0.402
  240   2HZ   LYS  32          2HZ       LYS  32 -11.959  -2.084  -0.729
  241   3HZ   LYS  32          3HZ       LYS  32 -11.128  -1.674   0.692
  242    H    ARG  33           H        ARG  33  -6.440   4.276   0.840
  243    HA   ARG  33           HA       ARG  33  -7.504   6.941   0.739
  244   1HB   ARG  33          1HB       ARG  33  -6.054   7.446   2.509
  245   2HB   ARG  33          2HB       ARG  33  -6.481   5.762   2.773
  246   1HG   ARG  33          1HG       ARG  33  -4.377   5.046   2.471
  247   2HG   ARG  33          2HG       ARG  33  -4.062   6.190   1.164
  248   1HD   ARG  33          1HD       ARG  33  -4.270   7.040   4.038
  249   2HD   ARG  33          2HD       ARG  33  -2.749   6.510   3.317
  250    HE   ARG  33           HE       ARG  33  -2.994   8.370   1.724
  251   1HH1  ARG  33          1HH1      ARG  33  -4.765   8.480   4.748
  252   2HH1  ARG  33          2HH1      ARG  33  -4.972  10.205   4.714
  253   1HH2  ARG  33          1HH2      ARG  33  -3.269  10.641   1.666
  254   2HH2  ARG  33          2HH2      ARG  33  -4.125  11.433   2.961
  255    H    HIS  34           H        HIS  34  -5.519   5.270  -1.317
  256    HA   HIS  34           HA       HIS  34  -3.808   7.543  -1.986
  257   1HB   HIS  34          1HB       HIS  34  -3.948   4.688  -2.886
  258   2HB   HIS  34          2HB       HIS  34  -3.147   5.879  -3.903
  259    HD1  HIS  34           HD1      HIS  34  -1.327   7.420  -2.255
  260    HD2  HIS  34           HD2      HIS  34  -2.178   3.447  -1.340
  261    HE1  HIS  34           HE1      HIS  34   0.552   6.602  -0.771
  262    H    MET  35           H        MET  35  -6.799   7.420  -2.248
  263    HA   MET  35           HA       MET  35  -7.241   7.699  -5.105
  264   1HB   MET  35          1HB       MET  35  -8.955   7.776  -2.659
  265   2HB   MET  35          2HB       MET  35  -9.525   8.616  -4.094
  266   1HG   MET  35          1HG       MET  35  -8.887   6.288  -5.214
  267   2HG   MET  35          2HG       MET  35  -9.222   5.725  -3.579
  268   1HE   MET  35          1HE       MET  35 -12.368   5.082  -6.087
  269   2HE   MET  35          2HE       MET  35 -10.676   5.245  -6.561
  270   3HE   MET  35          3HE       MET  35 -11.113   4.239  -5.180
  271    H    LEU  36           H        LEU  36  -5.862   9.477  -2.750
  272    HA   LEU  36           HA       LEU  36  -6.173  11.938  -4.260
  273   1HB   LEU  36          1HB       LEU  36  -5.997  12.451  -1.391
  274   2HB   LEU  36          2HB       LEU  36  -7.012  13.215  -2.597
  275    HG   LEU  36           HG       LEU  36  -8.236  10.782  -2.293
  276   1HD1  LEU  36          1HD1      LEU  36  -8.375  11.096   0.428
  277   2HD1  LEU  36          2HD1      LEU  36  -7.467   9.841  -0.415
  278   3HD1  LEU  36          3HD1      LEU  36  -6.657  11.319   0.099
  279   1HD2  LEU  36          1HD2      LEU  36  -9.697  12.518  -2.324
  280   2HD2  LEU  36          2HD2      LEU  36  -9.656  12.267  -0.578
  281   3HD2  LEU  36          3HD2      LEU  36  -8.674  13.537  -1.311
  282    H    VAL  37           H        VAL  37  -4.202  10.319  -4.593
  283    HA   VAL  37           HA       VAL  37  -1.953  10.219  -4.711
  284    HB   VAL  37           HB       VAL  37  -1.815  12.455  -2.678
  285   1HG1  VAL  37          1HG1      VAL  37   0.421  12.663  -4.180
  286   2HG1  VAL  37          2HG1      VAL  37   0.336  11.794  -2.648
  287   3HG1  VAL  37          3HG1      VAL  37   0.196  10.913  -4.170
  288   1HG2  VAL  37          1HG2      VAL  37  -3.054  13.050  -4.766
  289   2HG2  VAL  37          2HG2      VAL  37  -1.581  13.986  -4.507
  290   3HG2  VAL  37          3HG2      VAL  37  -1.594  12.668  -5.679
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  14.750   3.575   0.216
    2   2H    GLY   1          2H        GLY   1  14.474   3.258  -1.428
    3   3H    GLY   1          3H        GLY   1  13.533   2.485  -0.243
    4   1HA   GLY   1          1HA       GLY   1  12.915   4.894   0.446
    5   2HA   GLY   1          2HA       GLY   1  13.407   5.255  -1.205
    6    H    SER   2           H        SER   2  10.975   5.883  -1.042
    7    HA   SER   2           HA       SER   2   9.002   3.883  -1.057
    8   1HB   SER   2          1HB       SER   2   8.583   6.300  -2.737
    9   2HB   SER   2          2HB       SER   2   7.546   5.590  -1.499
   10    HG   SER   2           HG       SER   2   8.954   6.441   0.082
   11    H    THR   3           H        THR   3   8.536   2.376  -2.483
   12    HA   THR   3           HA       THR   3   8.535   1.074  -4.329
   13    HB   THR   3           HB       THR   3   9.169   3.209  -6.272
   14    HG1  THR   3           HG1      THR   3   6.581   3.311  -5.139
   15   1HG2  THR   3          1HG2      THR   3   6.650   1.996  -6.692
   16   2HG2  THR   3          2HG2      THR   3   7.749   0.731  -6.142
   17   3HG2  THR   3          3HG2      THR   3   8.157   1.700  -7.559
   18    H    ARG   4           H        ARG   4  10.668   0.627  -3.123
   19    HA   ARG   4           HA       ARG   4  13.092   1.582  -4.228
   20   1HB   ARG   4          1HB       ARG   4  14.188  -0.073  -2.833
   21   2HB   ARG   4          2HB       ARG   4  12.903   0.717  -1.933
   22   1HG   ARG   4          1HG       ARG   4  11.762  -1.188  -1.650
   23   2HG   ARG   4          2HG       ARG   4  12.084  -1.742  -3.294
   24   1HD   ARG   4          1HD       ARG   4  13.118  -3.235  -1.698
   25   2HD   ARG   4          2HD       ARG   4  14.360  -2.379  -2.609
   26    HE   ARG   4           HE       ARG   4  13.560  -1.702   0.152
   27   1HH1  ARG   4          1HH1      ARG   4  15.980  -2.007  -2.367
   28   2HH1  ARG   4          2HH1      ARG   4  17.278  -1.409  -1.366
   29   1HH2  ARG   4          1HH2      ARG   4  15.244  -0.902   1.459
   30   2HH2  ARG   4          2HH2      ARG   4  16.863  -0.803   0.821
   31    H    GLY   5           H        GLY   5  10.990  -0.967  -5.180
   32   1HA   GLY   5          1HA       GLY   5  12.169  -1.397  -7.646
   33   2HA   GLY   5          2HA       GLY   5  12.898  -2.569  -6.557
   34    H    SER   6           H        SER   6   9.843  -1.408  -7.848
   35    HA   SER   6           HA       SER   6   7.872  -2.336  -8.246
   36   1HB   SER   6          1HB       SER   6   8.916  -5.093  -8.278
   37   2HB   SER   6          2HB       SER   6   7.937  -4.227  -9.451
   38    HG   SER   6           HG       SER   6   9.663  -3.762 -10.508
   39    H    THR   7           H        THR   7   9.141  -5.034  -6.464
   40    HA   THR   7           HA       THR   7   7.334  -4.429  -4.264
   41    HB   THR   7           HB       THR   7   6.951  -7.050  -4.211
   42    HG1  THR   7           HG1      THR   7   7.237  -6.497  -7.001
   43   1HG2  THR   7          1HG2      THR   7   4.919  -6.604  -5.750
   44   2HG2  THR   7          2HG2      THR   7   5.531  -4.948  -5.809
   45   3HG2  THR   7          3HG2      THR   7   5.070  -5.666  -4.261
   46    H    GLY   8           H        GLY   8   8.994  -3.905  -2.929
   47   1HA   GLY   8          1HA       GLY   8  11.408  -5.349  -2.675
   48   2HA   GLY   8          2HA       GLY   8  10.768  -4.208  -1.500
   49    H    ILE   9           H        ILE   9   9.564  -4.975   0.258
   50    HA   ILE   9           HA       ILE   9   9.938  -7.792   0.885
   51    HB   ILE   9           HB       ILE   9   8.292  -5.884   2.516
   52   1HG1  ILE   9          1HG1      ILE   9  11.294  -6.127   2.733
   53   2HG1  ILE   9          2HG1      ILE   9  10.489  -4.801   1.899
   54   1HG2  ILE   9          1HG2      ILE   9  10.056  -7.578   3.998
   55   2HG2  ILE   9          2HG2      ILE   9   8.294  -7.538   3.989
   56   3HG2  ILE   9          3HG2      ILE   9   9.156  -8.542   2.822
   57   1HD1  ILE   9          1HD1      ILE   9  11.188  -4.237   4.191
   58   2HD1  ILE   9          2HD1      ILE   9   9.446  -4.091   3.945
   59   3HD1  ILE   9          3HD1      ILE   9  10.100  -5.486   4.804
   60    H    LYS  10           H        LYS  10   8.109  -9.163   1.450
   61    HA   LYS  10           HA       LYS  10   6.140 -10.188   1.031
   62   1HB   LYS  10          1HB       LYS  10   5.513  -7.452   1.806
   63   2HB   LYS  10          2HB       LYS  10   4.227  -8.203   0.865
   64   1HG   LYS  10          1HG       LYS  10   3.610  -9.504   2.560
   65   2HG   LYS  10          2HG       LYS  10   5.273  -9.988   2.899
   66   1HD   LYS  10          1HD       LYS  10   5.337  -7.470   3.828
   67   2HD   LYS  10          2HD       LYS  10   3.632  -7.839   4.090
   68   1HE   LYS  10          1HE       LYS  10   5.026 -10.094   4.965
   69   2HE   LYS  10          2HE       LYS  10   5.945  -8.714   5.564
   70   1HZ   LYS  10          1HZ       LYS  10   3.024  -8.726   5.888
   71   2HZ   LYS  10          2HZ       LYS  10   4.214  -7.996   6.854
   72   3HZ   LYS  10          3HZ       LYS  10   3.970  -9.672   6.933
   73    HA   PRO  11           HA       PRO  11   5.405 -10.472  -3.274
   74   1HB   PRO  11          1HB       PRO  11   2.841 -11.462  -3.293
   75   2HB   PRO  11          2HB       PRO  11   4.280 -12.435  -2.975
   76   1HG   PRO  11          1HG       PRO  11   2.357 -11.209  -1.043
   77   2HG   PRO  11          2HG       PRO  11   3.097 -12.820  -1.013
   78   1HD   PRO  11          1HD       PRO  11   4.001 -10.836   0.545
   79   2HD   PRO  11          2HD       PRO  11   5.115 -12.010  -0.195
   80    H    PHE  12           H        PHE  12   3.220  -8.646  -1.284
   81    HA   PHE  12           HA       PHE  12   2.478  -7.018  -3.610
   82   1HB   PHE  12          1HB       PHE  12   0.629  -7.821  -1.356
   83   2HB   PHE  12          2HB       PHE  12   0.217  -6.765  -2.706
   84    HD1  PHE  12           HD1      PHE  12   0.523  -7.799  -5.083
   85    HD2  PHE  12           HD2      PHE  12   0.147 -10.074  -1.508
   86    HE1  PHE  12           HE1      PHE  12  -0.169  -9.753  -6.406
   87    HE2  PHE  12           HE2      PHE  12  -0.550 -12.033  -2.825
   88    HZ   PHE  12           HZ       PHE  12  -0.707 -11.873  -5.279
   89    H    GLN  13           H        GLN  13   3.954  -5.418  -3.054
   90    HA   GLN  13           HA       GLN  13   3.645  -4.165  -0.424
   91   1HB   GLN  13          1HB       GLN  13   5.809  -3.499  -0.566
   92   2HB   GLN  13          2HB       GLN  13   5.915  -4.818  -1.722
   93   1HG   GLN  13          1HG       GLN  13   5.815  -3.349  -3.557
   94   2HG   GLN  13          2HG       GLN  13   5.297  -2.007  -2.548
   95   1HE2  GLN  13          1HE2      GLN  13   7.093  -2.352  -0.445
   96   2HE2  GLN  13          2HE2      GLN  13   8.664  -1.920  -1.027
   97    H    CYS  14           H        CYS  14   3.560  -1.745  -0.389
   98    HA   CYS  14           HA       CYS  14   1.689  -0.773  -2.340
   99   1HB   CYS  14          1HB       CYS  14   1.465   0.100  -0.076
  100   2HB   CYS  14          2HB       CYS  14   3.117   0.719  -0.118
  101    HA   PRO  15           HA       PRO  15   4.937   0.605  -5.061
  102   1HB   PRO  15          1HB       PRO  15   3.369   1.592  -6.999
  103   2HB   PRO  15          2HB       PRO  15   3.535  -0.149  -6.739
  104   1HG   PRO  15          1HG       PRO  15   1.329   1.696  -5.911
  105   2HG   PRO  15          2HG       PRO  15   1.230   0.049  -6.561
  106   1HD   PRO  15          1HD       PRO  15   1.028   0.681  -3.889
  107   2HD   PRO  15          2HD       PRO  15   1.538  -0.902  -4.506
  108    H    ASP  16           H        ASP  16   2.816   2.461  -3.231
  109    HA   ASP  16           HA       ASP  16   3.839   4.999  -4.308
  110   1HB   ASP  16          1HB       ASP  16   1.315   4.515  -3.966
  111   2HB   ASP  16          2HB       ASP  16   1.655   4.746  -2.254
  112    H    CYS  17           H        CYS  17   3.592   3.053  -1.397
  113    HA   CYS  17           HA       CYS  17   5.120   5.060   0.080
  114   1HB   CYS  17          1HB       CYS  17   3.630   2.628   1.059
  115   2HB   CYS  17          2HB       CYS  17   4.463   3.791   2.088
  116    H    ASP  18           H        ASP  18   5.295   1.791  -1.043
  117    HA   ASP  18           HA       ASP  18   7.040   0.288  -1.139
  118   1HB   ASP  18          1HB       ASP  18   8.636   2.341  -0.874
  119   2HB   ASP  18          2HB       ASP  18   8.697   1.857   0.817
  120    H    ARG  19           H        ARG  19   4.797   0.353   0.486
  121    HA   ARG  19           HA       ARG  19   5.495  -0.582   3.127
  122   1HB   ARG  19          1HB       ARG  19   3.036   0.049   1.652
  123   2HB   ARG  19          2HB       ARG  19   2.890  -1.342   2.719
  124   1HG   ARG  19          1HG       ARG  19   2.996  -0.092   4.574
  125   2HG   ARG  19          2HG       ARG  19   4.211   0.993   3.900
  126   1HD   ARG  19          1HD       ARG  19   2.484   2.456   3.955
  127   2HD   ARG  19          2HD       ARG  19   2.129   1.715   2.397
  128    HE   ARG  19           HE       ARG  19   0.218   0.836   3.281
  129   1HH1  ARG  19          1HH1      ARG  19   2.284   1.936   5.896
  130   2HH1  ARG  19          2HH1      ARG  19   1.126   1.569   7.142
  131   1HH2  ARG  19          1HH2      ARG  19  -1.290   0.291   4.949
  132   2HH2  ARG  19          2HH2      ARG  19  -0.886   0.613   6.604
  133    H    SER  20           H        SER  20   3.656  -2.817   3.275
  134    HA   SER  20           HA       SER  20   4.293  -4.678   1.207
  135   1HB   SER  20          1HB       SER  20   5.449  -6.148   3.190
  136   2HB   SER  20          2HB       SER  20   6.342  -5.240   1.973
  137    HG   SER  20           HG       SER  20   6.811  -3.699   3.411
  138    H    PHE  21           H        PHE  21   2.690  -6.085   1.083
  139    HA   PHE  21           HA       PHE  21   1.307  -6.924   3.537
  140   1HB   PHE  21          1HB       PHE  21  -0.152  -6.295   0.964
  141   2HB   PHE  21          2HB       PHE  21  -0.849  -6.633   2.545
  142    HD1  PHE  21           HD1      PHE  21   1.026  -4.137   0.577
  143    HD2  PHE  21           HD2      PHE  21  -1.160  -4.926   4.144
  144    HE1  PHE  21           HE1      PHE  21   0.978  -1.730   1.076
  145    HE2  PHE  21           HE2      PHE  21  -1.212  -2.519   4.644
  146    HZ   PHE  21           HZ       PHE  21  -0.131  -0.926   3.113
  147    H    SER  22           H        SER  22   0.449  -9.017   3.458
  148    HA   SER  22           HA       SER  22   1.810 -10.776   1.652
  149   1HB   SER  22          1HB       SER  22  -0.196 -12.133   3.184
  150   2HB   SER  22          2HB       SER  22   1.558 -12.176   3.386
  151    HG   SER  22           HG       SER  22   1.315 -11.003   5.104
  152    H    ARG  23           H        ARG  23  -1.362  -9.398   1.931
  153    HA   ARG  23           HA       ARG  23  -2.261 -10.953  -0.417
  154   1HB   ARG  23          1HB       ARG  23  -3.898  -9.891   1.894
  155   2HB   ARG  23          2HB       ARG  23  -4.570 -10.631   0.447
  156   1HG   ARG  23          1HG       ARG  23  -3.136 -12.662   1.052
  157   2HG   ARG  23          2HG       ARG  23  -2.965 -11.897   2.636
  158   1HD   ARG  23          1HD       ARG  23  -5.300 -13.197   1.390
  159   2HD   ARG  23          2HD       ARG  23  -4.814 -13.111   3.078
  160    HE   ARG  23           HE       ARG  23  -5.937 -10.726   1.809
  161   1HH1  ARG  23          1HH1      ARG  23  -6.222 -13.324   4.136
  162   2HH1  ARG  23          2HH1      ARG  23  -7.588 -12.621   4.943
  163   1HH2  ARG  23          1HH2      ARG  23  -7.731  -9.787   2.862
  164   2HH2  ARG  23          2HH2      ARG  23  -8.455 -10.615   4.217
  165    H    SER  24           H        SER  24  -2.981  -9.979  -2.079
  166    HA   SER  24           HA       SER  24  -2.400  -7.279  -2.542
  167   1HB   SER  24          1HB       SER  24  -4.231  -8.070  -4.477
  168   2HB   SER  24          2HB       SER  24  -2.479  -8.234  -4.566
  169    HG   SER  24           HG       SER  24  -3.633 -10.217  -4.915
  170    H    ASP  25           H        ASP  25  -5.203  -8.902  -1.342
  171    HA   ASP  25           HA       ASP  25  -7.121  -6.878  -1.783
  172   1HB   ASP  25          1HB       ASP  25  -8.243  -8.721  -1.126
  173   2HB   ASP  25          2HB       ASP  25  -6.902  -9.307  -0.162
  174    H    HIS  26           H        HIS  26  -4.838  -7.515   0.824
  175    HA   HIS  26           HA       HIS  26  -5.713  -5.398   2.510
  176   1HB   HIS  26          1HB       HIS  26  -3.463  -7.309   2.456
  177   2HB   HIS  26          2HB       HIS  26  -3.143  -5.786   3.284
  178    HD1  HIS  26           HD1      HIS  26  -3.214  -6.554   5.678
  179    HD2  HIS  26           HD2      HIS  26  -6.539  -7.785   3.495
  180    HE1  HIS  26           HE1      HIS  26  -4.825  -7.502   7.365
  181    HE2  HIS  26           HE2      HIS  26  -6.914  -8.022   6.050
  182    H    LEU  27           H        LEU  27  -3.393  -5.670  -0.099
  183    HA   LEU  27           HA       LEU  27  -2.073  -3.200   0.124
  184   1HB   LEU  27          1HB       LEU  27  -1.615  -5.087  -1.531
  185   2HB   LEU  27          2HB       LEU  27  -2.962  -4.472  -2.466
  186    HG   LEU  27           HG       LEU  27  -1.777  -2.759  -3.308
  187   1HD1  LEU  27          1HD1      LEU  27  -0.293  -1.333  -2.163
  188   2HD1  LEU  27          2HD1      LEU  27  -1.586  -1.718  -1.027
  189   3HD1  LEU  27          3HD1      LEU  27  -0.020  -2.519  -0.886
  190   1HD2  LEU  27          1HD2      LEU  27   0.635  -4.250  -2.330
  191   2HD2  LEU  27          2HD2      LEU  27  -0.409  -4.850  -3.619
  192   3HD2  LEU  27          3HD2      LEU  27   0.445  -3.319  -3.818
  193    H    ALA  28           H        ALA  28  -4.876  -4.056  -1.879
  194    HA   ALA  28           HA       ALA  28  -5.544  -1.528  -2.772
  195   1HB   ALA  28          1HB       ALA  28  -7.269  -3.945  -2.286
  196   2HB   ALA  28          2HB       ALA  28  -7.856  -2.480  -3.073
  197   3HB   ALA  28          3HB       ALA  28  -6.545  -3.408  -3.803
  198    H    LEU  29           H        LEU  29  -6.470  -3.130   0.236
  199    HA   LEU  29           HA       LEU  29  -8.432  -1.327   1.105
  200   1HB   LEU  29          1HB       LEU  29  -6.482  -2.993   2.679
  201   2HB   LEU  29          2HB       LEU  29  -7.805  -2.097   3.397
  202    HG   LEU  29           HG       LEU  29  -8.126  -4.307   1.373
  203   1HD1  LEU  29          1HD1      LEU  29  -8.591  -4.329   4.349
  204   2HD1  LEU  29          2HD1      LEU  29  -8.921  -5.652   3.228
  205   3HD1  LEU  29          3HD1      LEU  29  -7.259  -5.126   3.507
  206   1HD2  LEU  29          1HD2      LEU  29 -10.490  -4.190   1.973
  207   2HD2  LEU  29          2HD2      LEU  29 -10.156  -2.823   3.038
  208   3HD2  LEU  29          3HD2      LEU  29  -9.924  -2.660   1.297
  209    H    HIS  30           H        HIS  30  -4.922  -1.316   1.565
  210    HA   HIS  30           HA       HIS  30  -4.924   1.112   3.086
  211   1HB   HIS  30          1HB       HIS  30  -3.008  -0.122   3.524
  212   2HB   HIS  30          2HB       HIS  30  -2.825  -0.634   1.853
  213    HD1  HIS  30           HD1      HIS  30  -2.521   2.630   3.815
  214    HD2  HIS  30           HD2      HIS  30  -0.862   0.635   0.560
  215    HE1  HIS  30           HE1      HIS  30  -0.649   4.101   2.948
  216    H    ARG  31           H        ARG  31  -4.558   0.238  -0.289
  217    HA   ARG  31           HA       ARG  31  -3.580   2.763  -1.125
  218   1HB   ARG  31          1HB       ARG  31  -4.770   0.446  -2.632
  219   2HB   ARG  31          2HB       ARG  31  -4.233   1.924  -3.426
  220   1HG   ARG  31          1HG       ARG  31  -1.997   1.515  -2.240
  221   2HG   ARG  31          2HG       ARG  31  -2.601  -0.117  -1.957
  222   1HD   ARG  31          1HD       ARG  31  -1.208   0.011  -3.973
  223   2HD   ARG  31          2HD       ARG  31  -2.869  -0.459  -4.349
  224    HE   ARG  31           HE       ARG  31  -1.706   2.211  -4.813
  225   1HH1  ARG  31          1HH1      ARG  31  -4.017  -0.303  -5.590
  226   2HH1  ARG  31          2HH1      ARG  31  -4.724   0.573  -6.913
  227   1HH2  ARG  31          1HH2      ARG  31  -2.606   3.355  -6.587
  228   2HH2  ARG  31          2HH2      ARG  31  -3.913   2.646  -7.492
  229    H    LYS  32           H        LYS  32  -6.599   1.901  -0.059
  230    HA   LYS  32           HA       LYS  32  -8.322   3.378  -1.744
  231   1HB   LYS  32          1HB       LYS  32  -8.450   2.091   0.864
  232   2HB   LYS  32          2HB       LYS  32  -9.365   3.591   0.823
  233   1HG   LYS  32          1HG       LYS  32 -11.011   2.285   0.059
  234   2HG   LYS  32          2HG       LYS  32 -10.176   2.455  -1.488
  235   1HD   LYS  32          1HD       LYS  32  -8.819   0.382  -0.337
  236   2HD   LYS  32          2HD       LYS  32 -10.464   0.120   0.258
  237   1HE   LYS  32          1HE       LYS  32 -10.269   0.790  -2.594
  238   2HE   LYS  32          2HE       LYS  32  -9.521  -0.740  -2.140
  239   1HZ   LYS  32          1HZ       LYS  32 -11.493  -1.676  -1.716
  240   2HZ   LYS  32          2HZ       LYS  32 -12.112  -0.450  -2.710
  241   3HZ   LYS  32          3HZ       LYS  32 -12.153  -0.277  -1.024
  242    H    ARG  33           H        ARG  33  -6.149   4.222   0.833
  243    HA   ARG  33           HA       ARG  33  -7.097   6.900   1.181
  244   1HB   ARG  33          1HB       ARG  33  -4.557   5.502   2.000
  245   2HB   ARG  33          2HB       ARG  33  -4.886   7.186   2.380
  246   1HG   ARG  33          1HG       ARG  33  -7.067   5.421   3.133
  247   2HG   ARG  33          2HG       ARG  33  -5.542   5.017   3.925
  248   1HD   ARG  33          1HD       ARG  33  -5.961   7.868   3.906
  249   2HD   ARG  33          2HD       ARG  33  -7.340   7.038   4.626
  250    HE   ARG  33           HE       ARG  33  -4.559   6.642   5.537
  251   1HH1  ARG  33          1HH1      ARG  33  -7.975   7.052   6.178
  252   2HH1  ARG  33          2HH1      ARG  33  -7.796   6.948   7.905
  253   1HH2  ARG  33          1HH2      ARG  33  -4.315   6.480   7.792
  254   2HH2  ARG  33          2HH2      ARG  33  -5.710   6.592   8.827
  255    H    HIS  34           H        HIS  34  -5.208   5.342  -1.156
  256    HA   HIS  34           HA       HIS  34  -3.668   7.695  -1.857
  257   1HB   HIS  34          1HB       HIS  34  -3.808   4.898  -2.961
  258   2HB   HIS  34          2HB       HIS  34  -2.919   6.178  -3.789
  259    HD1  HIS  34           HD1      HIS  34  -1.560   7.587  -1.466
  260    HD2  HIS  34           HD2      HIS  34  -1.899   3.449  -1.743
  261    HE1  HIS  34           HE1      HIS  34   0.277   6.613  -0.016
  262    H    MET  35           H        MET  35  -6.761   6.913  -2.240
  263    HA   MET  35           HA       MET  35  -7.147   7.800  -4.970
  264   1HB   MET  35          1HB       MET  35  -9.082   7.350  -2.693
  265   2HB   MET  35          2HB       MET  35  -9.562   7.839  -4.312
  266   1HG   MET  35          1HG       MET  35  -8.835   5.787  -5.244
  267   2HG   MET  35          2HG       MET  35  -8.014   5.326  -3.755
  268   1HE   MET  35          1HE       MET  35  -9.696   2.734  -3.223
  269   2HE   MET  35          2HE       MET  35 -10.858   2.852  -4.545
  270   3HE   MET  35          3HE       MET  35  -9.174   3.308  -4.805
  271    H    LEU  36           H        LEU  36  -6.331   9.172  -2.079
  272    HA   LEU  36           HA       LEU  36  -6.940  11.826  -3.101
  273   1HB   LEU  36          1HB       LEU  36  -7.062  11.831  -0.216
  274   2HB   LEU  36          2HB       LEU  36  -8.193  12.503  -1.371
  275    HG   LEU  36           HG       LEU  36  -8.788   9.838  -1.506
  276   1HD1  LEU  36          1HD1      LEU  36  -8.268  10.445   1.399
  277   2HD1  LEU  36          2HD1      LEU  36  -8.890   8.948   0.707
  278   3HD1  LEU  36          3HD1      LEU  36  -7.223   9.435   0.399
  279   1HD2  LEU  36          1HD2      LEU  36  -9.907  12.126   0.066
  280   2HD2  LEU  36          2HD2      LEU  36 -10.519  11.382  -1.412
  281   3HD2  LEU  36          3HD2      LEU  36 -10.659  10.530   0.127
  282    H    VAL  37           H        VAL  37  -4.656  10.652  -3.519
  283    HA   VAL  37           HA       VAL  37  -2.420  10.766  -3.304
  284    HB   VAL  37           HB       VAL  37  -2.830  13.108  -1.443
  285   1HG1  VAL  37          1HG1      VAL  37  -0.531  11.842  -2.449
  286   2HG1  VAL  37          2HG1      VAL  37  -0.687  13.364  -3.328
  287   3HG1  VAL  37          3HG1      VAL  37  -0.628  13.364  -1.565
  288   1HG2  VAL  37          1HG2      VAL  37  -2.356  13.868  -4.176
  289   2HG2  VAL  37          2HG2      VAL  37  -3.813  12.879  -4.059
  290   3HG2  VAL  37          3HG2      VAL  37  -3.661  14.346  -3.092
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1   7.686   3.749  -4.370
    2   2H    GLY   1          2H        GLY   1   9.073   2.774  -4.280
    3   3H    GLY   1          3H        GLY   1   8.543   3.617  -2.909
    4   1HA   GLY   1          1HA       GLY   1   7.600   1.685  -2.340
    5   2HA   GLY   1          2HA       GLY   1   6.352   2.204  -3.464
    6    H    SER   2           H        SER   2   7.375  -0.502  -2.677
    7    HA   SER   2           HA       SER   2   7.806  -2.519  -3.610
    8   1HB   SER   2          1HB       SER   2   7.039  -1.365  -6.285
    9   2HB   SER   2          2HB       SER   2   6.801  -3.008  -5.685
   10    HG   SER   2           HG       SER   2   5.587  -1.215  -4.073
   11    H    THR   3           H        THR   3  10.070  -1.350  -3.159
   12    HA   THR   3           HA       THR   3  11.643  -0.971  -5.532
   13    HB   THR   3           HB       THR   3  12.994  -1.201  -2.915
   14    HG1  THR   3           HG1      THR   3  11.337   1.055  -3.422
   15   1HG2  THR   3          1HG2      THR   3  13.180   1.314  -4.357
   16   2HG2  THR   3          2HG2      THR   3  13.574  -0.074  -5.372
   17   3HG2  THR   3          3HG2      THR   3  14.452   0.196  -3.867
   18    H    ARG   4           H        ARG   4  10.582  -3.606  -4.050
   19    HA   ARG   4           HA       ARG   4  11.121  -5.810  -3.934
   20   1HB   ARG   4          1HB       ARG   4  12.531  -4.962  -6.460
   21   2HB   ARG   4          2HB       ARG   4  12.365  -6.643  -5.971
   22   1HG   ARG   4          1HG       ARG   4   9.983  -4.843  -6.272
   23   2HG   ARG   4          2HG       ARG   4  10.670  -5.730  -7.635
   24   1HD   ARG   4          1HD       ARG   4   9.641  -7.592  -7.004
   25   2HD   ARG   4          2HD       ARG   4  10.356  -7.488  -5.396
   26    HE   ARG   4           HE       ARG   4   7.889  -6.019  -6.102
   27   1HH1  ARG   4          1HH1      ARG   4   9.694  -8.167  -3.988
   28   2HH1  ARG   4          2HH1      ARG   4   8.409  -8.302  -2.824
   29   1HH2  ARG   4          1HH2      ARG   4   6.191  -6.201  -4.559
   30   2HH2  ARG   4          2HH2      ARG   4   6.432  -7.185  -3.138
   31    H    GLY   5           H        GLY   5  12.299  -5.890  -2.032
   32   1HA   GLY   5          1HA       GLY   5  14.645  -7.189  -1.926
   33   2HA   GLY   5          2HA       GLY   5  15.173  -5.517  -2.058
   34    H    SER   6           H        SER   6  15.754  -4.764  -0.119
   35    HA   SER   6           HA       SER   6  14.489  -5.673   2.307
   36   1HB   SER   6          1HB       SER   6  16.066  -3.222   2.502
   37   2HB   SER   6          2HB       SER   6  16.276  -4.756   3.350
   38    HG   SER   6           HG       SER   6  18.025  -4.195   1.901
   39    H    THR   7           H        THR   7  14.512  -2.998   0.211
   40    HA   THR   7           HA       THR   7  12.071  -1.917   1.424
   41    HB   THR   7           HB       THR   7  12.587  -0.311  -0.756
   42    HG1  THR   7           HG1      THR   7  14.749   0.137  -0.814
   43   1HG2  THR   7          1HG2      THR   7  13.164  -0.059   2.164
   44   2HG2  THR   7          2HG2      THR   7  11.902   0.717   1.205
   45   3HG2  THR   7          3HG2      THR   7  13.578   1.253   1.060
   46    H    GLY   8           H        GLY   8  10.615  -3.406   0.750
   47   1HA   GLY   8          1HA       GLY   8   9.155  -3.721  -1.322
   48   2HA   GLY   8          2HA       GLY   8  10.668  -4.173  -2.096
   49    H    ILE   9           H        ILE   9   9.304  -4.928   1.071
   50    HA   ILE   9           HA       ILE   9   9.918  -7.742   0.802
   51    HB   ILE   9           HB       ILE   9   8.143  -6.642   2.938
   52   1HG1  ILE   9          1HG1      ILE   9  11.064  -6.479   3.428
   53   2HG1  ILE   9          2HG1      ILE   9  10.361  -5.230   2.402
   54   1HG2  ILE   9          1HG2      ILE   9   8.828  -9.083   2.691
   55   2HG2  ILE   9          2HG2      ILE   9  10.431  -8.566   3.213
   56   3HG2  ILE   9          3HG2      ILE   9   9.042  -8.346   4.277
   57   1HD1  ILE   9          1HD1      ILE   9   8.680  -5.527   4.652
   58   2HD1  ILE   9          2HD1      ILE   9  10.343  -5.428   5.229
   59   3HD1  ILE   9          3HD1      ILE   9   9.687  -4.150   4.204
   60    H    LYS  10           H        LYS  10   8.165  -9.378   1.121
   61    HA   LYS  10           HA       LYS  10   6.188 -10.369   0.640
   62   1HB   LYS  10          1HB       LYS  10   5.464  -7.700   1.630
   63   2HB   LYS  10          2HB       LYS  10   4.211  -8.476   0.669
   64   1HG   LYS  10          1HG       LYS  10   3.674  -9.835   2.334
   65   2HG   LYS  10          2HG       LYS  10   5.354 -10.330   2.551
   66   1HD   LYS  10          1HD       LYS  10   4.889  -7.641   3.521
   67   2HD   LYS  10          2HD       LYS  10   3.831  -8.814   4.306
   68   1HE   LYS  10          1HE       LYS  10   6.412  -9.962   4.161
   69   2HE   LYS  10          2HE       LYS  10   6.604  -8.315   4.761
   70   1HZ   LYS  10          1HZ       LYS  10   4.632 -10.216   5.891
   71   2HZ   LYS  10          2HZ       LYS  10   5.162  -8.747   6.555
   72   3HZ   LYS  10          3HZ       LYS  10   6.213 -10.073   6.487
   73    HA   PRO  11           HA       PRO  11   5.601 -10.109  -3.679
   74   1HB   PRO  11          1HB       PRO  11   3.182 -11.347  -3.943
   75   2HB   PRO  11          2HB       PRO  11   4.694 -12.203  -3.624
   76   1HG   PRO  11          1HG       PRO  11   2.554 -11.366  -1.708
   77   2HG   PRO  11          2HG       PRO  11   3.429 -12.905  -1.799
   78   1HD   PRO  11          1HD       PRO  11   4.075 -11.023   0.003
   79   2HD   PRO  11          2HD       PRO  11   5.314 -12.037  -0.768
   80    H    PHE  12           H        PHE  12   3.337  -8.617  -1.546
   81    HA   PHE  12           HA       PHE  12   2.317  -6.983  -3.762
   82   1HB   PHE  12          1HB       PHE  12   0.770  -7.956  -1.350
   83   2HB   PHE  12          2HB       PHE  12   0.154  -6.850  -2.574
   84    HD1  PHE  12           HD1      PHE  12   0.578  -7.843  -5.084
   85    HD2  PHE  12           HD2      PHE  12   0.022 -10.106  -1.525
   86    HE1  PHE  12           HE1      PHE  12  -0.196  -9.754  -6.426
   87    HE2  PHE  12           HE2      PHE  12  -0.758 -12.019  -2.860
   88    HZ   PHE  12           HZ       PHE  12  -0.865 -11.845  -5.314
   89    H    GLN  13           H        GLN  13   3.724  -5.297  -3.353
   90    HA   GLN  13           HA       GLN  13   3.580  -4.078  -0.688
   91   1HB   GLN  13          1HB       GLN  13   5.673  -4.415  -2.644
   92   2HB   GLN  13          2HB       GLN  13   5.494  -2.722  -2.194
   93   1HG   GLN  13          1HG       GLN  13   5.364  -3.877   0.218
   94   2HG   GLN  13          2HG       GLN  13   6.404  -5.008  -0.623
   95   1HE2  GLN  13          1HE2      GLN  13   7.489  -3.835   1.422
   96   2HE2  GLN  13          2HE2      GLN  13   8.571  -2.555   0.977
   97    H    CYS  14           H        CYS  14   3.542  -1.720  -0.582
   98    HA   CYS  14           HA       CYS  14   1.589  -0.595  -2.397
   99   1HB   CYS  14          1HB       CYS  14   1.548   0.209  -0.089
  100   2HB   CYS  14          2HB       CYS  14   3.210   0.781  -0.238
  101    HA   PRO  15           HA       PRO  15   4.806   0.538  -5.251
  102   1HB   PRO  15          1HB       PRO  15   3.221   1.776  -7.071
  103   2HB   PRO  15          2HB       PRO  15   3.324   0.017  -6.930
  104   1HG   PRO  15          1HG       PRO  15   1.247   1.890  -5.871
  105   2HG   PRO  15          2HG       PRO  15   1.041   0.301  -6.631
  106   1HD   PRO  15          1HD       PRO  15   0.940   0.683  -3.940
  107   2HD   PRO  15          2HD       PRO  15   1.500  -0.827  -4.683
  108    H    ASP  16           H        ASP  16   3.100   2.534  -3.214
  109    HA   ASP  16           HA       ASP  16   4.512   4.911  -4.243
  110   1HB   ASP  16          1HB       ASP  16   2.077   5.179  -4.267
  111   2HB   ASP  16          2HB       ASP  16   2.011   4.795  -2.549
  112    H    CYS  17           H        CYS  17   3.639   3.118  -1.327
  113    HA   CYS  17           HA       CYS  17   5.254   4.922   0.291
  114   1HB   CYS  17          1HB       CYS  17   3.545   2.571   1.103
  115   2HB   CYS  17          2HB       CYS  17   4.392   3.630   2.220
  116    H    ASP  18           H        ASP  18   5.331   1.642  -0.826
  117    HA   ASP  18           HA       ASP  18   6.882  -0.010  -0.724
  118   1HB   ASP  18          1HB       ASP  18   9.091   0.310  -0.297
  119   2HB   ASP  18          2HB       ASP  18   8.633   1.978  -0.566
  120    H    ARG  19           H        ARG  19   4.700   0.744   1.000
  121    HA   ARG  19           HA       ARG  19   5.126  -0.668   3.490
  122   1HB   ARG  19          1HB       ARG  19   2.919   0.701   2.159
  123   2HB   ARG  19          2HB       ARG  19   2.428  -0.848   2.835
  124   1HG   ARG  19          1HG       ARG  19   2.894  -0.198   5.000
  125   2HG   ARG  19          2HG       ARG  19   3.987   1.082   4.475
  126   1HD   ARG  19          1HD       ARG  19   2.030   2.165   5.216
  127   2HD   ARG  19          2HD       ARG  19   1.997   2.210   3.453
  128    HE   ARG  19           HE       ARG  19   0.256   0.647   3.445
  129   1HH1  ARG  19          1HH1      ARG  19   1.303   1.506   6.686
  130   2HH1  ARG  19          2HH1      ARG  19  -0.085   0.805   7.470
  131   1HH2  ARG  19          1HH2      ARG  19  -1.603  -0.257   4.495
  132   2HH2  ARG  19          2HH2      ARG  19  -1.739  -0.194   6.225
  133    H    SER  20           H        SER  20   4.110  -2.842   3.804
  134    HA   SER  20           HA       SER  20   4.109  -4.345   1.259
  135   1HB   SER  20          1HB       SER  20   5.240  -5.830   3.510
  136   2HB   SER  20          2HB       SER  20   5.811  -5.685   1.850
  137    HG   SER  20           HG       SER  20   6.083  -3.356   3.227
  138    H    PHE  21           H        PHE  21   2.793  -6.074   1.063
  139    HA   PHE  21           HA       PHE  21   1.173  -6.891   3.370
  140   1HB   PHE  21          1HB       PHE  21  -0.017  -6.137   0.690
  141   2HB   PHE  21          2HB       PHE  21  -0.896  -6.653   2.126
  142    HD1  PHE  21           HD1      PHE  21   0.912  -3.907   0.528
  143    HD2  PHE  21           HD2      PHE  21  -1.223  -5.155   3.992
  144    HE1  PHE  21           HE1      PHE  21   0.789  -1.573   1.292
  145    HE2  PHE  21           HE2      PHE  21  -1.356  -2.821   4.752
  146    HZ   PHE  21           HZ       PHE  21  -0.335  -1.033   3.409
  147    H    SER  22           H        SER  22   0.480  -9.001   3.286
  148    HA   SER  22           HA       SER  22   1.848 -10.700   1.391
  149   1HB   SER  22          1HB       SER  22  -0.012 -11.961   3.283
  150   2HB   SER  22          2HB       SER  22   1.705 -12.257   3.019
  151    HG   SER  22           HG       SER  22   2.119 -11.089   4.697
  152    H    ARG  23           H        ARG  23  -1.245  -9.319   1.836
  153    HA   ARG  23           HA       ARG  23  -2.318 -10.957  -0.369
  154   1HB   ARG  23          1HB       ARG  23  -3.908  -9.816   1.941
  155   2HB   ARG  23          2HB       ARG  23  -4.554 -10.748   0.597
  156   1HG   ARG  23          1HG       ARG  23  -2.966 -12.603   1.368
  157   2HG   ARG  23          2HG       ARG  23  -2.828 -11.674   2.862
  158   1HD   ARG  23          1HD       ARG  23  -4.849 -13.512   2.101
  159   2HD   ARG  23          2HD       ARG  23  -4.710 -12.595   3.598
  160    HE   ARG  23           HE       ARG  23  -6.022 -10.829   2.505
  161   1HH1  ARG  23          1HH1      ARG  23  -6.081 -14.035   1.078
  162   2HH1  ARG  23          2HH1      ARG  23  -7.647 -13.815   0.349
  163   1HH2  ARG  23          1HH2      ARG  23  -8.084 -10.565   1.597
  164   2HH2  ARG  23          2HH2      ARG  23  -8.794 -11.834   0.648
  165    H    SER  24           H        SER  24  -3.020  -9.852  -2.077
  166    HA   SER  24           HA       SER  24  -2.481  -7.107  -2.348
  167   1HB   SER  24          1HB       SER  24  -3.078  -9.178  -4.073
  168   2HB   SER  24          2HB       SER  24  -4.493  -8.136  -4.212
  169    HG   SER  24           HG       SER  24  -2.659  -7.656  -5.652
  170    H    ASP  25           H        ASP  25  -5.226  -8.814  -1.161
  171    HA   ASP  25           HA       ASP  25  -7.215  -6.844  -1.459
  172   1HB   ASP  25          1HB       ASP  25  -8.412  -8.498  -0.576
  173   2HB   ASP  25          2HB       ASP  25  -6.950  -9.411  -0.320
  174    H    HIS  26           H        HIS  26  -4.935  -7.542   1.124
  175    HA   HIS  26           HA       HIS  26  -5.671  -5.399   2.827
  176   1HB   HIS  26          1HB       HIS  26  -3.462  -7.348   2.679
  177   2HB   HIS  26          2HB       HIS  26  -3.056  -5.821   3.457
  178    HD1  HIS  26           HD1      HIS  26  -2.982  -6.556   5.864
  179    HD2  HIS  26           HD2      HIS  26  -6.471  -7.729   3.925
  180    HE1  HIS  26           HE1      HIS  26  -4.475  -7.500   7.658
  181    HE2  HIS  26           HE2      HIS  26  -6.636  -8.053   6.484
  182    H    LEU  27           H        LEU  27  -3.416  -5.722   0.162
  183    HA   LEU  27           HA       LEU  27  -2.039  -3.288   0.331
  184   1HB   LEU  27          1HB       LEU  27  -1.635  -5.192  -1.300
  185   2HB   LEU  27          2HB       LEU  27  -2.998  -4.590  -2.219
  186    HG   LEU  27           HG       LEU  27  -1.811  -2.909  -3.138
  187   1HD1  LEU  27          1HD1      LEU  27   0.132  -2.580  -0.901
  188   2HD1  LEU  27          2HD1      LEU  27  -0.455  -1.396  -2.070
  189   3HD1  LEU  27          3HD1      LEU  27  -1.504  -1.936  -0.759
  190   1HD2  LEU  27          1HD2      LEU  27  -0.304  -5.191  -2.888
  191   2HD2  LEU  27          2HD2      LEU  27  -0.001  -3.843  -3.987
  192   3HD2  LEU  27          3HD2      LEU  27   0.807  -3.901  -2.422
  193    H    ALA  28           H        ALA  28  -4.878  -4.078  -1.643
  194    HA   ALA  28           HA       ALA  28  -5.452  -1.519  -2.532
  195   1HB   ALA  28          1HB       ALA  28  -6.418  -3.805  -3.249
  196   2HB   ALA  28          2HB       ALA  28  -7.635  -3.504  -2.010
  197   3HB   ALA  28          3HB       ALA  28  -7.448  -2.378  -3.354
  198    H    LEU  29           H        LEU  29  -6.501  -3.123   0.447
  199    HA   LEU  29           HA       LEU  29  -8.403  -1.280   1.320
  200   1HB   LEU  29          1HB       LEU  29  -6.441  -2.932   2.894
  201   2HB   LEU  29          2HB       LEU  29  -7.746  -2.014   3.620
  202    HG   LEU  29           HG       LEU  29  -8.155  -4.219   1.608
  203   1HD1  LEU  29          1HD1      LEU  29  -7.199  -5.181   3.583
  204   2HD1  LEU  29          2HD1      LEU  29  -8.292  -4.258   4.616
  205   3HD1  LEU  29          3HD1      LEU  29  -8.928  -5.529   3.571
  206   1HD2  LEU  29          1HD2      LEU  29 -10.351  -3.618   3.366
  207   2HD2  LEU  29          2HD2      LEU  29  -9.843  -2.176   2.487
  208   3HD2  LEU  29          3HD2      LEU  29 -10.297  -3.632   1.603
  209    H    HIS  30           H        HIS  30  -4.900  -1.276   1.647
  210    HA   HIS  30           HA       HIS  30  -4.823   1.193   3.109
  211   1HB   HIS  30          1HB       HIS  30  -2.941  -0.105   3.544
  212   2HB   HIS  30          2HB       HIS  30  -2.776  -0.615   1.869
  213    HD1  HIS  30           HD1      HIS  30  -2.367   2.588   3.902
  214    HD2  HIS  30           HD2      HIS  30  -0.853   0.703   0.510
  215    HE1  HIS  30           HE1      HIS  30  -0.508   4.065   3.026
  216    H    ARG  31           H        ARG  31  -4.401   0.187  -0.251
  217    HA   ARG  31           HA       ARG  31  -3.431   2.712  -1.080
  218   1HB   ARG  31          1HB       ARG  31  -4.448   0.341  -2.639
  219   2HB   ARG  31          2HB       ARG  31  -3.827   1.803  -3.399
  220   1HG   ARG  31          1HG       ARG  31  -1.730   1.426  -2.003
  221   2HG   ARG  31          2HG       ARG  31  -2.362  -0.191  -1.708
  222   1HD   ARG  31          1HD       ARG  31  -0.801  -0.214  -3.562
  223   2HD   ARG  31          2HD       ARG  31  -2.431  -0.594  -4.128
  224    HE   ARG  31           HE       ARG  31  -1.215   2.081  -4.423
  225   1HH1  ARG  31          1HH1      ARG  31  -3.047  -0.621  -5.696
  226   2HH1  ARG  31          2HH1      ARG  31  -3.268   0.106  -7.263
  227   1HH2  ARG  31          1HH2      ARG  31  -1.516   3.044  -6.455
  228   2HH2  ARG  31          2HH2      ARG  31  -2.384   2.196  -7.699
  229    H    LYS  32           H        LYS  32  -6.521   1.716  -0.317
  230    HA   LYS  32           HA       LYS  32  -8.096   3.115  -2.192
  231   1HB   LYS  32          1HB       LYS  32  -8.479   1.767   0.327
  232   2HB   LYS  32          2HB       LYS  32  -9.382   3.276   0.303
  233   1HG   LYS  32          1HG       LYS  32 -10.697   1.352  -0.482
  234   2HG   LYS  32          2HG       LYS  32 -10.529   2.613  -1.706
  235   1HD   LYS  32          1HD       LYS  32  -9.400   1.262  -3.099
  236   2HD   LYS  32          2HD       LYS  32  -8.410   0.594  -1.794
  237   1HE   LYS  32          1HE       LYS  32  -9.924  -1.078  -1.330
  238   2HE   LYS  32          2HE       LYS  32 -11.285  -0.178  -1.998
  239   1HZ   LYS  32          1HZ       LYS  32  -9.203  -0.893  -3.891
  240   2HZ   LYS  32          2HZ       LYS  32 -10.890  -0.935  -4.059
  241   3HZ   LYS  32          3HZ       LYS  32 -10.088  -2.197  -3.255
  242    H    ARG  33           H        ARG  33  -6.261   4.064   0.593
  243    HA   ARG  33           HA       ARG  33  -7.343   6.694   0.821
  244   1HB   ARG  33          1HB       ARG  33  -4.959   5.275   1.940
  245   2HB   ARG  33          2HB       ARG  33  -5.076   7.022   2.092
  246   1HG   ARG  33          1HG       ARG  33  -7.132   6.829   3.317
  247   2HG   ARG  33          2HG       ARG  33  -7.158   5.082   3.069
  248   1HD   ARG  33          1HD       ARG  33  -6.343   5.437   5.262
  249   2HD   ARG  33          2HD       ARG  33  -4.951   4.996   4.275
  250    HE   ARG  33           HE       ARG  33  -4.761   7.620   4.151
  251   1HH1  ARG  33          1HH1      ARG  33  -5.516   5.600   6.905
  252   2HH1  ARG  33          2HH1      ARG  33  -4.834   6.704   8.065
  253   1HH2  ARG  33          1HH2      ARG  33  -3.841   9.074   5.672
  254   2HH2  ARG  33          2HH2      ARG  33  -3.892   8.671   7.371
  255    H    HIS  34           H        HIS  34  -5.164   5.218  -1.325
  256    HA   HIS  34           HA       HIS  34  -3.706   7.645  -1.942
  257   1HB   HIS  34          1HB       HIS  34  -3.680   4.849  -3.047
  258   2HB   HIS  34          2HB       HIS  34  -2.838   6.159  -3.867
  259    HD1  HIS  34           HD1      HIS  34  -1.098   7.515  -2.104
  260    HD2  HIS  34           HD2      HIS  34  -2.116   3.556  -1.300
  261    HE1  HIS  34           HE1      HIS  34   0.630   6.639  -0.473
  262    H    MET  35           H        MET  35  -6.697   6.400  -2.668
  263    HA   MET  35           HA       MET  35  -6.858   7.744  -5.272
  264   1HB   MET  35          1HB       MET  35  -9.058   6.184  -3.925
  265   2HB   MET  35          2HB       MET  35  -8.921   6.612  -5.624
  266   1HG   MET  35          1HG       MET  35  -7.561   4.884  -6.092
  267   2HG   MET  35          2HG       MET  35  -6.742   4.962  -4.535
  268   1HE   MET  35          1HE       MET  35  -9.656   3.099  -6.563
  269   2HE   MET  35          2HE       MET  35 -10.839   3.003  -5.258
  270   3HE   MET  35          3HE       MET  35 -10.313   4.576  -5.856
  271    H    LEU  36           H        LEU  36  -7.288   8.312  -2.037
  272    HA   LEU  36           HA       LEU  36  -8.880  10.700  -2.586
  273   1HB   LEU  36          1HB       LEU  36  -9.413   9.126  -0.088
  274   2HB   LEU  36          2HB       LEU  36 -10.404  10.358  -0.843
  275    HG   LEU  36           HG       LEU  36 -10.076   8.035  -2.559
  276   1HD1  LEU  36          1HD1      LEU  36 -11.313   7.633   0.154
  277   2HD1  LEU  36          2HD1      LEU  36 -11.498   6.537  -1.216
  278   3HD1  LEU  36          3HD1      LEU  36  -9.907   6.799  -0.504
  279   1HD2  LEU  36          1HD2      LEU  36 -11.804  10.031  -2.451
  280   2HD2  LEU  36          2HD2      LEU  36 -12.261   8.442  -3.065
  281   3HD2  LEU  36          3HD2      LEU  36 -12.675   8.903  -1.414
  282    H    VAL  37           H        VAL  37  -6.428  11.187  -2.491
  283    HA   VAL  37           HA       VAL  37  -5.320  11.304   0.180
  284    HB   VAL  37           HB       VAL  37  -3.377  12.426  -0.943
  285   1HG1  VAL  37          1HG1      VAL  37  -2.536  10.386  -1.179
  286   2HG1  VAL  37          2HG1      VAL  37  -4.170   9.752  -0.983
  287   3HG1  VAL  37          3HG1      VAL  37  -3.538  10.076  -2.596
  288   1HG2  VAL  37          1HG2      VAL  37  -4.880  11.800  -3.481
  289   2HG2  VAL  37          2HG2      VAL  37  -4.632  13.416  -2.818
  290   3HG2  VAL  37          3HG2      VAL  37  -3.250  12.462  -3.359
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1  10.624  -7.772  -5.642
    2   2H    GLY   1          2H        GLY   1   9.527  -6.543  -5.255
    3   3H    GLY   1          3H        GLY   1  10.198  -7.497  -4.025
    4   1HA   GLY   1          1HA       GLY   1  12.374  -6.593  -4.427
    5   2HA   GLY   1          2HA       GLY   1  11.740  -5.675  -5.785
    6    H    SER   2           H        SER   2  13.091  -4.570  -3.529
    7    HA   SER   2           HA       SER   2  10.908  -2.906  -2.464
    8   1HB   SER   2          1HB       SER   2  13.355  -3.758  -0.904
    9   2HB   SER   2          2HB       SER   2  12.000  -2.797  -0.307
   10    HG   SER   2           HG       SER   2  10.720  -4.762  -1.006
   11    H    THR   3           H        THR   3  11.593  -0.749  -1.815
   12    HA   THR   3           HA       THR   3  13.486   0.314  -3.736
   13    HB   THR   3           HB       THR   3  12.734   2.526  -2.889
   14    HG1  THR   3           HG1      THR   3  11.056   0.935  -1.188
   15   1HG2  THR   3          1HG2      THR   3  10.637   2.482  -3.930
   16   2HG2  THR   3          2HG2      THR   3  10.300   0.839  -3.387
   17   3HG2  THR   3          3HG2      THR   3  11.492   1.120  -4.655
   18    H    ARG   4           H        ARG   4  14.951   2.158  -2.903
   19    HA   ARG   4           HA       ARG   4  16.614   1.055  -0.806
   20   1HB   ARG   4          1HB       ARG   4  17.077   2.563  -3.112
   21   2HB   ARG   4          2HB       ARG   4  17.422   3.663  -1.785
   22   1HG   ARG   4          1HG       ARG   4  18.626   1.218  -1.118
   23   2HG   ARG   4          2HG       ARG   4  19.001   1.523  -2.815
   24   1HD   ARG   4          1HD       ARG   4  20.653   2.467  -1.175
   25   2HD   ARG   4          2HD       ARG   4  19.972   3.635  -2.308
   26    HE   ARG   4           HE       ARG   4  18.651   4.535  -0.542
   27   1HH1  ARG   4          1HH1      ARG   4  21.020   2.158   0.484
   28   2HH1  ARG   4          2HH1      ARG   4  20.928   2.606   2.165
   29   1HH2  ARG   4          1HH2      ARG   4  18.535   5.125   1.672
   30   2HH2  ARG   4          2HH2      ARG   4  19.534   4.300   2.833
   31    H    GLY   5           H        GLY   5  14.964   1.389   0.859
   32   1HA   GLY   5          1HA       GLY   5  15.457   3.347   2.671
   33   2HA   GLY   5          2HA       GLY   5  14.284   4.094   1.593
   34    H    SER   6           H        SER   6  12.241   2.981   1.288
   35    HA   SER   6           HA       SER   6  11.197   1.962   3.771
   36   1HB   SER   6          1HB       SER   6   9.486   1.774   1.392
   37   2HB   SER   6          2HB       SER   6   9.190   2.591   2.929
   38    HG   SER   6           HG       SER   6  10.422   4.337   2.207
   39    H    THR   7           H        THR   7  10.404  -0.106   4.127
   40    HA   THR   7           HA       THR   7  11.745  -2.119   2.536
   41    HB   THR   7           HB       THR   7  10.626  -3.539   4.537
   42    HG1  THR   7           HG1      THR   7  10.071  -2.316   6.185
   43   1HG2  THR   7          1HG2      THR   7  12.917  -3.696   4.304
   44   2HG2  THR   7          2HG2      THR   7  12.783  -2.821   5.831
   45   3HG2  THR   7          3HG2      THR   7  13.142  -1.946   4.340
   46    H    GLY   8           H        GLY   8  10.398  -2.058   0.693
   47   1HA   GLY   8          1HA       GLY   8   7.615  -2.746   0.888
   48   2HA   GLY   8          2HA       GLY   8   8.545  -2.544  -0.592
   49    H    ILE   9           H        ILE   9   8.511  -4.710   2.201
   50    HA   ILE   9           HA       ILE   9   9.381  -6.969   0.657
   51    HB   ILE   9           HB       ILE   9   8.162  -7.191   3.389
   52   1HG1  ILE   9          1HG1      ILE   9  11.059  -6.476   3.042
   53   2HG1  ILE   9          2HG1      ILE   9   9.842  -5.209   3.143
   54   1HG2  ILE   9          1HG2      ILE   9   9.118  -9.210   3.408
   55   2HG2  ILE   9          2HG2      ILE   9   9.440  -8.969   1.690
   56   3HG2  ILE   9          3HG2      ILE   9  10.669  -8.553   2.884
   57   1HD1  ILE   9          1HD1      ILE   9  10.421  -7.305   5.219
   58   2HD1  ILE   9          2HD1      ILE   9  10.824  -5.589   5.305
   59   3HD1  ILE   9          3HD1      ILE   9   9.137  -6.101   5.321
   60    H    LYS  10           H        LYS  10   8.037  -9.072   0.826
   61    HA   LYS  10           HA       LYS  10   6.156 -10.280   0.400
   62   1HB   LYS  10          1HB       LYS  10   5.005  -7.900   1.735
   63   2HB   LYS  10          2HB       LYS  10   3.901  -8.840   0.738
   64   1HG   LYS  10          1HG       LYS  10   3.701 -10.372   2.322
   65   2HG   LYS  10          2HG       LYS  10   5.450 -10.611   2.365
   66   1HD   LYS  10          1HD       LYS  10   5.578  -8.567   3.834
   67   2HD   LYS  10          2HD       LYS  10   3.817  -8.624   3.936
   68   1HE   LYS  10          1HE       LYS  10   3.816 -10.545   5.197
   69   2HE   LYS  10          2HE       LYS  10   5.360 -11.098   4.548
   70   1HZ   LYS  10          1HZ       LYS  10   5.077  -8.794   6.404
   71   2HZ   LYS  10          2HZ       LYS  10   6.520  -9.532   5.900
   72   3HZ   LYS  10          3HZ       LYS  10   5.444 -10.374   6.904
   73    HA   PRO  11           HA       PRO  11   5.559  -9.476  -3.844
   74   1HB   PRO  11          1HB       PRO  11   3.162 -10.771  -4.282
   75   2HB   PRO  11          2HB       PRO  11   4.733 -11.573  -4.181
   76   1HG   PRO  11          1HG       PRO  11   2.637 -11.234  -2.075
   77   2HG   PRO  11          2HG       PRO  11   3.610 -12.666  -2.463
   78   1HD   PRO  11          1HD       PRO  11   4.217 -11.125  -0.372
   79   2HD   PRO  11          2HD       PRO  11   5.497 -11.819  -1.389
   80    H    PHE  12           H        PHE  12   3.205  -8.448  -1.554
   81    HA   PHE  12           HA       PHE  12   2.048  -6.619  -3.551
   82   1HB   PHE  12          1HB       PHE  12   0.709  -7.737  -1.081
   83   2HB   PHE  12          2HB       PHE  12  -0.025  -6.651  -2.258
   84    HD1  PHE  12           HD1      PHE  12   0.188  -7.571  -4.781
   85    HD2  PHE  12           HD2      PHE  12   0.171  -9.949  -1.253
   86    HE1  PHE  12           HE1      PHE  12  -0.556  -9.513  -6.097
   87    HE2  PHE  12           HE2      PHE  12  -0.578 -11.892  -2.560
   88    HZ   PHE  12           HZ       PHE  12  -0.938 -11.676  -4.987
   89    H    GLN  13           H        GLN  13   3.861  -5.217  -2.959
   90    HA   GLN  13           HA       GLN  13   3.540  -3.879  -0.385
   91   1HB   GLN  13          1HB       GLN  13   5.722  -3.029  -0.713
   92   2HB   GLN  13          2HB       GLN  13   5.782  -4.701  -1.257
   93   1HG   GLN  13          1HG       GLN  13   5.129  -2.734  -3.324
   94   2HG   GLN  13          2HG       GLN  13   6.751  -2.629  -2.651
   95   1HE2  GLN  13          1HE2      GLN  13   7.502  -5.133  -2.223
   96   2HE2  GLN  13          2HE2      GLN  13   7.447  -6.087  -3.668
   97    H    CYS  14           H        CYS  14   3.423  -1.509  -0.396
   98    HA   CYS  14           HA       CYS  14   1.619  -0.551  -2.380
   99   1HB   CYS  14          1HB       CYS  14   1.449   0.362  -0.129
  100   2HB   CYS  14          2HB       CYS  14   3.103   0.970  -0.220
  101    HA   PRO  15           HA       PRO  15   4.795   0.660  -5.244
  102   1HB   PRO  15          1HB       PRO  15   3.200   1.856  -7.070
  103   2HB   PRO  15          2HB       PRO  15   3.301   0.099  -6.904
  104   1HG   PRO  15          1HG       PRO  15   1.226   1.988  -5.871
  105   2HG   PRO  15          2HG       PRO  15   1.019   0.388  -6.605
  106   1HD   PRO  15          1HD       PRO  15   0.933   0.834  -3.916
  107   2HD   PRO  15          2HD       PRO  15   1.449  -0.705  -4.633
  108    H    ASP  16           H        ASP  16   3.014   2.664  -3.242
  109    HA   ASP  16           HA       ASP  16   4.365   5.068  -4.284
  110   1HB   ASP  16          1HB       ASP  16   1.840   5.079  -4.227
  111   2HB   ASP  16          2HB       ASP  16   1.953   5.021  -2.471
  112    H    CYS  17           H        CYS  17   3.625   3.204  -1.394
  113    HA   CYS  17           HA       CYS  17   5.395   4.950   0.165
  114   1HB   CYS  17          1HB       CYS  17   3.559   2.781   1.187
  115   2HB   CYS  17          2HB       CYS  17   4.419   3.975   2.152
  116    H    ASP  18           H        ASP  18   5.033   1.703  -0.988
  117    HA   ASP  18           HA       ASP  18   6.419  -0.087  -1.083
  118   1HB   ASP  18          1HB       ASP  18   8.267   1.908  -1.060
  119   2HB   ASP  18          2HB       ASP  18   8.681   1.058   0.427
  120    H    ARG  19           H        ARG  19   4.549  -0.113   0.675
  121    HA   ARG  19           HA       ARG  19   5.557  -0.754   3.324
  122   1HB   ARG  19          1HB       ARG  19   2.896  -0.382   2.068
  123   2HB   ARG  19          2HB       ARG  19   2.975  -1.552   3.381
  124   1HG   ARG  19          1HG       ARG  19   3.149   0.034   4.925
  125   2HG   ARG  19          2HG       ARG  19   4.347   0.930   3.991
  126   1HD   ARG  19          1HD       ARG  19   2.593   2.417   4.025
  127   2HD   ARG  19          2HD       ARG  19   2.307   1.570   2.506
  128    HE   ARG  19           HE       ARG  19   0.341   0.823   3.361
  129   1HH1  ARG  19          1HH1      ARG  19   2.338   1.902   6.031
  130   2HH1  ARG  19          2HH1      ARG  19   1.169   1.462   7.244
  131   1HH2  ARG  19          1HH2      ARG  19  -1.211   0.268   4.990
  132   2HH2  ARG  19          2HH2      ARG  19  -0.828   0.556   6.658
  133    H    SER  20           H        SER  20   3.653  -2.972   3.735
  134    HA   SER  20           HA       SER  20   4.413  -4.949   1.771
  135   1HB   SER  20          1HB       SER  20   5.058  -6.241   4.180
  136   2HB   SER  20          2HB       SER  20   6.153  -5.812   2.867
  137    HG   SER  20           HG       SER  20   6.553  -3.846   3.878
  138    H    PHE  21           H        PHE  21   2.804  -6.217   1.420
  139    HA   PHE  21           HA       PHE  21   1.072  -7.084   3.608
  140   1HB   PHE  21          1HB       PHE  21  -0.126  -6.312   0.946
  141   2HB   PHE  21          2HB       PHE  21  -0.946  -6.600   2.475
  142    HD1  PHE  21           HD1      PHE  21   1.264  -4.229   0.687
  143    HD2  PHE  21           HD2      PHE  21  -1.373  -4.843   3.972
  144    HE1  PHE  21           HE1      PHE  21   1.266  -1.816   1.134
  145    HE2  PHE  21           HE2      PHE  21  -1.361  -2.426   4.433
  146    HZ   PHE  21           HZ       PHE  21  -0.036  -0.916   3.014
  147    H    SER  22           H        SER  22   0.556  -9.219   3.456
  148    HA   SER  22           HA       SER  22   1.785 -10.719   1.288
  149   1HB   SER  22          1HB       SER  22   0.411 -12.514   2.913
  150   2HB   SER  22          2HB       SER  22   2.119 -12.088   3.051
  151    HG   SER  22           HG       SER  22   0.215 -11.674   4.821
  152    H    ARG  23           H        ARG  23  -1.169  -9.312   1.998
  153    HA   ARG  23           HA       ARG  23  -2.661 -11.115   0.201
  154   1HB   ARG  23          1HB       ARG  23  -3.856  -9.131   2.129
  155   2HB   ARG  23          2HB       ARG  23  -4.669 -10.435   1.282
  156   1HG   ARG  23          1HG       ARG  23  -2.648 -11.659   2.766
  157   2HG   ARG  23          2HG       ARG  23  -3.365 -10.449   3.838
  158   1HD   ARG  23          1HD       ARG  23  -4.845 -12.569   2.300
  159   2HD   ARG  23          2HD       ARG  23  -4.504 -12.597   4.029
  160    HE   ARG  23           HE       ARG  23  -6.426 -10.879   2.640
  161   1HH1  ARG  23          1HH1      ARG  23  -4.867 -11.767   5.652
  162   2HH1  ARG  23          2HH1      ARG  23  -6.172 -11.177   6.645
  163   1HH2  ARG  23          1HH2      ARG  23  -8.108 -10.061   3.938
  164   2HH2  ARG  23          2HH2      ARG  23  -8.022 -10.222   5.671
  165    H    SER  24           H        SER  24  -3.390 -10.460  -1.592
  166    HA   SER  24           HA       SER  24  -2.582  -8.062  -2.773
  167   1HB   SER  24          1HB       SER  24  -4.710  -9.088  -4.258
  168   2HB   SER  24          2HB       SER  24  -3.000  -9.466  -4.463
  169    HG   SER  24           HG       SER  24  -4.636 -11.253  -4.032
  170    H    ASP  25           H        ASP  25  -5.418  -8.936  -0.973
  171    HA   ASP  25           HA       ASP  25  -6.954  -6.645  -1.825
  172   1HB   ASP  25          1HB       ASP  25  -7.972  -8.829  -1.093
  173   2HB   ASP  25          2HB       ASP  25  -7.475  -8.434   0.547
  174    H    HIS  26           H        HIS  26  -4.861  -7.542   0.801
  175    HA   HIS  26           HA       HIS  26  -5.457  -5.441   2.588
  176   1HB   HIS  26          1HB       HIS  26  -3.398  -7.497   2.318
  177   2HB   HIS  26          2HB       HIS  26  -2.772  -5.997   2.997
  178    HD1  HIS  26           HD1      HIS  26  -2.585  -6.511   5.435
  179    HD2  HIS  26           HD2      HIS  26  -6.242  -7.686   3.839
  180    HE1  HIS  26           HE1      HIS  26  -3.980  -7.238   7.397
  181    HE2  HIS  26           HE2      HIS  26  -6.250  -7.754   6.429
  182    H    LEU  27           H        LEU  27  -3.290  -5.693  -0.165
  183    HA   LEU  27           HA       LEU  27  -1.892  -3.269   0.079
  184   1HB   LEU  27          1HB       LEU  27  -1.597  -5.139  -1.658
  185   2HB   LEU  27          2HB       LEU  27  -2.920  -4.385  -2.524
  186    HG   LEU  27           HG       LEU  27  -1.643  -2.703  -3.295
  187   1HD1  LEU  27          1HD1      LEU  27  -1.342  -1.782  -1.001
  188   2HD1  LEU  27          2HD1      LEU  27   0.135  -2.743  -0.871
  189   3HD1  LEU  27          3HD1      LEU  27   0.005  -1.481  -2.101
  190   1HD2  LEU  27          1HD2      LEU  27  -0.429  -4.821  -3.816
  191   2HD2  LEU  27          2HD2      LEU  27   0.564  -3.362  -3.851
  192   3HD2  LEU  27          3HD2      LEU  27   0.651  -4.455  -2.468
  193    H    ALA  28           H        ALA  28  -4.759  -3.979  -1.869
  194    HA   ALA  28           HA       ALA  28  -5.396  -1.414  -2.641
  195   1HB   ALA  28          1HB       ALA  28  -7.634  -3.292  -2.106
  196   2HB   ALA  28          2HB       ALA  28  -7.310  -2.288  -3.519
  197   3HB   ALA  28          3HB       ALA  28  -6.395  -3.776  -3.263
  198    H    LEU  29           H        LEU  29  -6.301  -3.096   0.337
  199    HA   LEU  29           HA       LEU  29  -8.227  -1.351   1.320
  200   1HB   LEU  29          1HB       LEU  29  -6.170  -3.022   2.725
  201   2HB   LEU  29          2HB       LEU  29  -7.356  -2.071   3.594
  202    HG   LEU  29           HG       LEU  29  -7.995  -4.277   1.644
  203   1HD1  LEU  29          1HD1      LEU  29  -7.051  -5.255   3.581
  204   2HD1  LEU  29          2HD1      LEU  29  -7.947  -4.172   4.646
  205   3HD1  LEU  29          3HD1      LEU  29  -8.801  -5.414   3.731
  206   1HD2  LEU  29          1HD2      LEU  29 -10.218  -3.882   1.995
  207   2HD2  LEU  29          2HD2      LEU  29  -9.952  -3.111   3.558
  208   3HD2  LEU  29          3HD2      LEU  29  -9.591  -2.235   2.071
  209    H    HIS  30           H        HIS  30  -4.712  -1.247   1.805
  210    HA   HIS  30           HA       HIS  30  -4.758   1.241   3.213
  211   1HB   HIS  30          1HB       HIS  30  -2.820   0.054   3.686
  212   2HB   HIS  30          2HB       HIS  30  -2.643  -0.519   2.032
  213    HD1  HIS  30           HD1      HIS  30  -2.183   2.715   4.021
  214    HD2  HIS  30           HD2      HIS  30  -0.814   0.832   0.567
  215    HE1  HIS  30           HE1      HIS  30  -0.365   4.193   3.063
  216    H    ARG  31           H        ARG  31  -4.398   0.249  -0.121
  217    HA   ARG  31           HA       ARG  31  -3.464   2.773  -1.031
  218   1HB   ARG  31          1HB       ARG  31  -4.468   0.313  -2.440
  219   2HB   ARG  31          2HB       ARG  31  -4.038   1.775  -3.320
  220   1HG   ARG  31          1HG       ARG  31  -1.813   1.566  -1.939
  221   2HG   ARG  31          2HG       ARG  31  -2.299  -0.126  -1.834
  222   1HD   ARG  31          1HD       ARG  31  -0.912   0.028  -3.730
  223   2HD   ARG  31          2HD       ARG  31  -2.561  -0.064  -4.353
  224    HE   ARG  31           HE       ARG  31  -0.903   2.366  -4.234
  225   1HH1  ARG  31          1HH1      ARG  31  -3.639   0.594  -5.519
  226   2HH1  ARG  31          2HH1      ARG  31  -3.957   1.756  -6.777
  227   1HH2  ARG  31          1HH2      ARG  31  -1.313   3.889  -5.879
  228   2HH2  ARG  31          2HH2      ARG  31  -2.625   3.620  -6.995
  229    H    LYS  32           H        LYS  32  -6.471   1.853   0.000
  230    HA   LYS  32           HA       LYS  32  -8.193   3.108  -1.855
  231   1HB   LYS  32          1HB       LYS  32  -8.376   2.007   0.828
  232   2HB   LYS  32          2HB       LYS  32  -9.353   3.457   0.651
  233   1HG   LYS  32          1HG       LYS  32 -10.920   2.086  -0.138
  234   2HG   LYS  32          2HG       LYS  32  -9.964   2.064  -1.621
  235   1HD   LYS  32          1HD       LYS  32  -8.691   0.181  -0.110
  236   2HD   LYS  32          2HD       LYS  32 -10.376  -0.031   0.389
  237   1HE   LYS  32          1HE       LYS  32 -10.383   0.276  -2.414
  238   2HE   LYS  32          2HE       LYS  32  -9.078  -0.848  -2.033
  239   1HZ   LYS  32          1HZ       LYS  32 -11.572  -1.319  -0.629
  240   2HZ   LYS  32          2HZ       LYS  32 -10.516  -2.420  -1.366
  241   3HZ   LYS  32          3HZ       LYS  32 -11.636  -1.556  -2.307
  242    H    ARG  33           H        ARG  33  -6.109   4.290   0.639
  243    HA   ARG  33           HA       ARG  33  -7.246   6.936   0.714
  244   1HB   ARG  33          1HB       ARG  33  -4.595   5.936   1.766
  245   2HB   ARG  33          2HB       ARG  33  -5.333   7.486   2.144
  246   1HG   ARG  33          1HG       ARG  33  -6.764   6.594   3.641
  247   2HG   ARG  33          2HG       ARG  33  -6.983   5.113   2.707
  248   1HD   ARG  33          1HD       ARG  33  -5.832   4.780   4.892
  249   2HD   ARG  33          2HD       ARG  33  -4.912   4.223   3.495
  250    HE   ARG  33           HE       ARG  33  -3.405   5.993   3.791
  251   1HH1  ARG  33          1HH1      ARG  33  -5.910   5.942   6.243
  252   2HH1  ARG  33          2HH1      ARG  33  -5.102   7.090   7.274
  253   1HH2  ARG  33          1HH2      ARG  33  -2.337   7.495   5.148
  254   2HH2  ARG  33          2HH2      ARG  33  -3.085   8.001   6.633
  255    H    HIS  34           H        HIS  34  -5.269   5.259  -1.400
  256    HA   HIS  34           HA       HIS  34  -3.904   7.669  -2.367
  257   1HB   HIS  34          1HB       HIS  34  -3.650   4.760  -3.166
  258   2HB   HIS  34          2HB       HIS  34  -2.793   6.077  -3.960
  259    HD1  HIS  34           HD1      HIS  34  -1.469   7.634  -1.858
  260    HD2  HIS  34           HD2      HIS  34  -2.023   3.528  -1.497
  261    HE1  HIS  34           HE1      HIS  34   0.267   6.813  -0.203
  262    H    MET  35           H        MET  35  -6.781   6.106  -2.709
  263    HA   MET  35           HA       MET  35  -7.074   6.620  -5.570
  264   1HB   MET  35          1HB       MET  35  -8.980   5.377  -3.583
  265   2HB   MET  35          2HB       MET  35  -9.267   5.514  -5.313
  266   1HG   MET  35          1HG       MET  35  -7.527   3.993  -5.814
  267   2HG   MET  35          2HG       MET  35  -6.910   4.050  -4.167
  268   1HE   MET  35          1HE       MET  35  -6.948   1.548  -3.362
  269   2HE   MET  35          2HE       MET  35  -8.050   0.405  -4.131
  270   3HE   MET  35          3HE       MET  35  -6.963   1.381  -5.118
  271    H    LEU  36           H        LEU  36  -6.831   8.655  -3.366
  272    HA   LEU  36           HA       LEU  36  -8.956  10.371  -4.335
  273   1HB   LEU  36          1HB       LEU  36  -8.588  10.924  -1.550
  274   2HB   LEU  36          2HB       LEU  36 -10.071  10.559  -2.407
  275    HG   LEU  36           HG       LEU  36  -8.530   8.156  -1.886
  276   1HD1  LEU  36          1HD1      LEU  36  -9.617   9.106   0.657
  277   2HD1  LEU  36          2HD1      LEU  36  -8.118   8.242   0.316
  278   3HD1  LEU  36          3HD1      LEU  36  -8.194   9.993   0.113
  279   1HD2  LEU  36          1HD2      LEU  36 -11.070   8.457  -0.522
  280   2HD2  LEU  36          2HD2      LEU  36 -11.166   8.903  -2.225
  281   3HD2  LEU  36          3HD2      LEU  36 -10.581   7.305  -1.765
  282    H    VAL  37           H        VAL  37  -6.490  10.454  -5.215
  283    HA   VAL  37           HA       VAL  37  -4.684  11.747  -5.585
  284    HB   VAL  37           HB       VAL  37  -6.036  13.786  -3.811
  285   1HG1  VAL  37          1HG1      VAL  37  -4.405  15.245  -4.324
  286   2HG1  VAL  37          2HG1      VAL  37  -3.461  13.817  -4.750
  287   3HG1  VAL  37          3HG1      VAL  37  -4.327  14.707  -6.002
  288   1HG2  VAL  37          1HG2      VAL  37  -6.511  12.914  -6.582
  289   2HG2  VAL  37          2HG2      VAL  37  -7.589  13.720  -5.440
  290   3HG2  VAL  37          3HG2      VAL  37  -6.401  14.660  -6.346
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1   3.292  10.601   0.750
    2   2H    GLY   1          2H        GLY   1   3.942   9.538   1.900
    3   3H    GLY   1          3H        GLY   1   3.499   8.959   0.370
    4   1HA   GLY   1          1HA       GLY   1   5.208  10.818  -0.385
    5   2HA   GLY   1          2HA       GLY   1   5.871  10.431   1.196
    6    H    SER   2           H        SER   2   6.640   9.885  -1.738
    7    HA   SER   2           HA       SER   2   6.489   7.139  -2.211
    8   1HB   SER   2          1HB       SER   2   8.898   8.189  -3.342
    9   2HB   SER   2          2HB       SER   2   7.375   7.817  -4.149
   10    HG   SER   2           HG       SER   2   8.267  10.258  -3.054
   11    H    THR   3           H        THR   3   7.594   5.437  -1.525
   12    HA   THR   3           HA       THR   3   8.957   4.129  -0.270
   13    HB   THR   3           HB       THR   3  11.264   5.968  -0.426
   14    HG1  THR   3           HG1      THR   3   9.721   5.209  -2.666
   15   1HG2  THR   3          1HG2      THR   3  10.673   3.117  -0.507
   16   2HG2  THR   3          2HG2      THR   3  12.159   3.951  -0.052
   17   3HG2  THR   3          3HG2      THR   3  11.826   3.606  -1.749
   18    H    ARG   4           H        ARG   4   7.399   5.904   1.269
   19    HA   ARG   4           HA       ARG   4   9.029   7.116   3.296
   20   1HB   ARG   4          1HB       ARG   4   6.864   7.328   4.546
   21   2HB   ARG   4          2HB       ARG   4   6.866   8.069   2.953
   22   1HG   ARG   4          1HG       ARG   4   5.078   6.895   2.400
   23   2HG   ARG   4          2HG       ARG   4   5.969   5.396   2.669
   24   1HD   ARG   4          1HD       ARG   4   5.100   6.681   5.137
   25   2HD   ARG   4          2HD       ARG   4   3.763   6.238   4.076
   26    HE   ARG   4           HE       ARG   4   5.107   3.978   4.055
   27   1HH1  ARG   4          1HH1      ARG   4   4.388   6.080   6.755
   28   2HH1  ARG   4          2HH1      ARG   4   4.396   4.793   7.925
   29   1HH2  ARG   4          1HH2      ARG   4   5.168   2.277   5.607
   30   2HH2  ARG   4          2HH2      ARG   4   4.868   2.647   7.277
   31    H    GLY   5           H        GLY   5   7.695   3.970   2.740
   32   1HA   GLY   5          1HA       GLY   5   8.199   3.167   5.514
   33   2HA   GLY   5          2HA       GLY   5   7.381   2.205   4.290
   34    H    SER   6           H        SER   6   9.487   2.756   2.306
   35    HA   SER   6           HA       SER   6  11.264   1.658   1.441
   36   1HB   SER   6          1HB       SER   6  12.524   1.853   4.149
   37   2HB   SER   6          2HB       SER   6  13.271   2.045   2.567
   38    HG   SER   6           HG       SER   6  12.540   4.072   2.440
   39    H    THR   7           H        THR   7   9.227  -0.031   2.493
   40    HA   THR   7           HA       THR   7  10.816  -2.355   3.364
   41    HB   THR   7           HB       THR   7   8.465  -3.014   4.400
   42    HG1  THR   7           HG1      THR   7   7.662  -0.867   3.536
   43   1HG2  THR   7          1HG2      THR   7  10.799  -2.393   5.475
   44   2HG2  THR   7          2HG2      THR   7   9.350  -2.543   6.467
   45   3HG2  THR   7          3HG2      THR   7   9.923  -0.948   5.978
   46    H    GLY   8           H        GLY   8  10.875  -2.675   0.958
   47   1HA   GLY   8          1HA       GLY   8   8.436  -3.418  -0.363
   48   2HA   GLY   8          2HA       GLY   8  10.060  -3.567  -1.015
   49    H    ILE   9           H        ILE   9   8.651  -4.891   1.899
   50    HA   ILE   9           HA       ILE   9   9.550  -7.585   1.290
   51    HB   ILE   9           HB       ILE   9   7.697  -6.881   3.544
   52   1HG1  ILE   9          1HG1      ILE   9  10.656  -6.669   3.944
   53   2HG1  ILE   9          2HG1      ILE   9   9.787  -5.294   3.269
   54   1HG2  ILE   9          1HG2      ILE   9   9.003  -9.201   2.750
   55   2HG2  ILE   9          2HG2      ILE   9   9.922  -8.623   4.141
   56   3HG2  ILE   9          3HG2      ILE   9   8.188  -8.917   4.289
   57   1HD1  ILE   9          1HD1      ILE   9   9.158  -4.682   5.293
   58   2HD1  ILE   9          2HD1      ILE   9   8.359  -6.237   5.536
   59   3HD1  ILE   9          3HD1      ILE   9  10.057  -6.039   5.972
   60    H    LYS  10           H        LYS  10   7.915  -9.395   1.416
   61    HA   LYS  10           HA       LYS  10   6.008 -10.451   0.801
   62   1HB   LYS  10          1HB       LYS  10   4.962  -7.783   1.653
   63   2HB   LYS  10          2HB       LYS  10   3.867  -8.922   0.883
   64   1HG   LYS  10          1HG       LYS  10   3.858 -10.330   2.655
   65   2HG   LYS  10          2HG       LYS  10   5.525  -9.961   3.102
   66   1HD   LYS  10          1HD       LYS  10   4.043  -7.590   3.461
   67   2HD   LYS  10          2HD       LYS  10   3.084  -8.896   4.160
   68   1HE   LYS  10          1HE       LYS  10   5.878  -9.149   4.854
   69   2HE   LYS  10          2HE       LYS  10   5.237  -7.579   5.338
   70   1HZ   LYS  10          1HZ       LYS  10   3.932 -10.163   5.991
   71   2HZ   LYS  10          2HZ       LYS  10   3.539  -8.632   6.606
   72   3HZ   LYS  10          3HZ       LYS  10   5.006  -9.365   7.033
   73    HA   PRO  11           HA       PRO  11   5.731 -10.034  -3.520
   74   1HB   PRO  11          1HB       PRO  11   3.274 -11.171  -4.009
   75   2HB   PRO  11          2HB       PRO  11   4.751 -12.084  -3.686
   76   1HG   PRO  11          1HG       PRO  11   2.538 -11.339  -1.819
   77   2HG   PRO  11          2HG       PRO  11   3.407 -12.878  -1.961
   78   1HD   PRO  11          1HD       PRO  11   3.976 -11.138  -0.009
   79   2HD   PRO  11          2HD       PRO  11   5.258 -12.076  -0.803
   80    H    PHE  12           H        PHE  12   3.292  -8.566  -1.549
   81    HA   PHE  12           HA       PHE  12   2.488  -6.853  -3.797
   82   1HB   PHE  12          1HB       PHE  12   0.746  -7.721  -1.482
   83   2HB   PHE  12          2HB       PHE  12   0.252  -6.722  -2.848
   84    HD1  PHE  12           HD1      PHE  12   0.869  -7.922  -5.214
   85    HD2  PHE  12           HD2      PHE  12   0.002  -9.883  -1.539
   86    HE1  PHE  12           HE1      PHE  12   0.193  -9.934  -6.453
   87    HE2  PHE  12           HE2      PHE  12  -0.675 -11.901  -2.772
   88    HZ   PHE  12           HZ       PHE  12  -0.572 -11.931  -5.234
   89    H    GLN  13           H        GLN  13   3.912  -5.198  -3.263
   90    HA   GLN  13           HA       GLN  13   3.687  -4.023  -0.582
   91   1HB   GLN  13          1HB       GLN  13   5.440  -3.207  -2.889
   92   2HB   GLN  13          2HB       GLN  13   5.496  -2.560  -1.255
   93   1HG   GLN  13          1HG       GLN  13   6.949  -4.085  -0.709
   94   2HG   GLN  13          2HG       GLN  13   5.757  -5.335  -1.067
   95   1HE2  GLN  13          1HE2      GLN  13   6.309  -6.731  -2.541
   96   2HE2  GLN  13          2HE2      GLN  13   7.446  -6.485  -3.830
   97    H    CYS  14           H        CYS  14   3.689  -1.621  -0.564
   98    HA   CYS  14           HA       CYS  14   1.621  -0.554  -2.315
   99   1HB   CYS  14          1HB       CYS  14   1.602   0.240   0.008
  100   2HB   CYS  14          2HB       CYS  14   3.238   0.866  -0.182
  101    HA   PRO  15           HA       PRO  15   4.848   0.752  -5.131
  102   1HB   PRO  15          1HB       PRO  15   3.239   1.760  -7.032
  103   2HB   PRO  15          2HB       PRO  15   3.408   0.018  -6.788
  104   1HG   PRO  15          1HG       PRO  15   1.229   1.857  -5.878
  105   2HG   PRO  15          2HG       PRO  15   1.105   0.228  -6.568
  106   1HD   PRO  15          1HD       PRO  15   0.954   0.767  -3.884
  107   2HD   PRO  15          2HD       PRO  15   1.497  -0.783  -4.552
  108    H    ASP  16           H        ASP  16   3.028   2.544  -3.077
  109    HA   ASP  16           HA       ASP  16   3.976   5.114  -4.175
  110   1HB   ASP  16          1HB       ASP  16   1.424   4.536  -3.639
  111   2HB   ASP  16          2HB       ASP  16   1.916   5.038  -2.025
  112    H    CYS  17           H        CYS  17   3.629   3.191  -1.256
  113    HA   CYS  17           HA       CYS  17   5.307   5.096   0.195
  114   1HB   CYS  17          1HB       CYS  17   3.683   2.792   1.270
  115   2HB   CYS  17          2HB       CYS  17   4.507   4.020   2.222
  116    H    ASP  18           H        ASP  18   5.214   1.816  -0.901
  117    HA   ASP  18           HA       ASP  18   6.801   0.134  -0.940
  118   1HB   ASP  18          1HB       ASP  18   8.465   2.344  -0.077
  119   2HB   ASP  18          2HB       ASP  18   8.844   0.889   0.837
  120    H    ARG  19           H        ARG  19   4.610   0.312   0.589
  121    HA   ARG  19           HA       ARG  19   5.222  -0.618   3.273
  122   1HB   ARG  19          1HB       ARG  19   2.602  -0.640   1.745
  123   2HB   ARG  19          2HB       ARG  19   2.803  -0.997   3.453
  124   1HG   ARG  19          1HG       ARG  19   3.922   1.554   2.986
  125   2HG   ARG  19          2HG       ARG  19   2.345   1.503   2.194
  126   1HD   ARG  19          1HD       ARG  19   2.843   0.686   5.048
  127   2HD   ARG  19          2HD       ARG  19   2.287   2.285   4.560
  128    HE   ARG  19           HE       ARG  19   0.391   0.808   3.449
  129   1HH1  ARG  19          1HH1      ARG  19   1.887   0.517   6.617
  130   2HH1  ARG  19          2HH1      ARG  19   0.496  -0.222   7.355
  131   1HH2  ARG  19          1HH2      ARG  19  -1.467  -0.134   4.455
  132   2HH2  ARG  19          2HH2      ARG  19  -1.417  -0.570   6.136
  133    H    SER  20           H        SER  20   3.713  -2.867   3.596
  134    HA   SER  20           HA       SER  20   4.278  -4.606   1.336
  135   1HB   SER  20          1HB       SER  20   5.204  -6.058   3.569
  136   2HB   SER  20          2HB       SER  20   6.122  -5.505   2.171
  137    HG   SER  20           HG       SER  20   6.688  -3.667   3.244
  138    H    PHE  21           H        PHE  21   2.767  -6.041   1.024
  139    HA   PHE  21           HA       PHE  21   1.081  -6.868   3.286
  140   1HB   PHE  21          1HB       PHE  21   0.004  -6.190   0.545
  141   2HB   PHE  21          2HB       PHE  21  -0.924  -6.594   1.985
  142    HD1  PHE  21           HD1      PHE  21   1.120  -4.017   0.353
  143    HD2  PHE  21           HD2      PHE  21  -1.381  -4.961   3.662
  144    HE1  PHE  21           HE1      PHE  21   0.978  -1.628   0.926
  145    HE2  PHE  21           HE2      PHE  21  -1.523  -2.577   4.242
  146    HZ   PHE  21           HZ       PHE  21  -0.340  -0.909   2.877
  147    H    SER  22           H        SER  22   0.448  -8.964   3.269
  148    HA   SER  22           HA       SER  22   1.764 -10.732   1.386
  149   1HB   SER  22          1HB       SER  22   0.234 -12.345   2.973
  150   2HB   SER  22          2HB       SER  22   1.865 -11.811   3.391
  151    HG   SER  22           HG       SER  22   1.024 -10.776   5.008
  152    H    ARG  23           H        ARG  23  -1.326  -9.348   1.994
  153    HA   ARG  23           HA       ARG  23  -2.564 -11.049  -0.072
  154   1HB   ARG  23          1HB       ARG  23  -3.876  -9.426   2.115
  155   2HB   ARG  23          2HB       ARG  23  -4.721 -10.402   0.921
  156   1HG   ARG  23          1HG       ARG  23  -3.506 -12.396   1.819
  157   2HG   ARG  23          2HG       ARG  23  -2.903 -11.360   3.118
  158   1HD   ARG  23          1HD       ARG  23  -5.005 -12.764   3.566
  159   2HD   ARG  23          2HD       ARG  23  -5.024 -11.066   4.034
  160    HE   ARG  23           HE       ARG  23  -6.716 -10.716   2.548
  161   1HH1  ARG  23          1HH1      ARG  23  -5.135 -13.737   1.726
  162   2HH1  ARG  23          2HH1      ARG  23  -6.269 -14.131   0.470
  163   1HH2  ARG  23          1HH2      ARG  23  -8.251 -11.274   0.963
  164   2HH2  ARG  23          2HH2      ARG  23  -8.060 -12.749   0.058
  165    H    SER  24           H        SER  24  -3.247 -10.141  -1.897
  166    HA   SER  24           HA       SER  24  -2.571  -7.492  -2.596
  167   1HB   SER  24          1HB       SER  24  -3.358  -9.768  -3.957
  168   2HB   SER  24          2HB       SER  24  -4.729  -8.685  -4.185
  169    HG   SER  24           HG       SER  24  -3.407  -7.196  -5.136
  170    H    ASP  25           H        ASP  25  -5.371  -8.937  -1.144
  171    HA   ASP  25           HA       ASP  25  -7.208  -6.813  -1.613
  172   1HB   ASP  25          1HB       ASP  25  -7.925  -9.075  -0.948
  173   2HB   ASP  25          2HB       ASP  25  -7.143  -8.865   0.613
  174    H    HIS  26           H        HIS  26  -4.928  -7.586   0.945
  175    HA   HIS  26           HA       HIS  26  -5.602  -5.450   2.684
  176   1HB   HIS  26          1HB       HIS  26  -3.495  -7.479   2.510
  177   2HB   HIS  26          2HB       HIS  26  -2.940  -5.951   3.187
  178    HD1  HIS  26           HD1      HIS  26  -2.788  -6.529   5.629
  179    HD2  HIS  26           HD2      HIS  26  -6.425  -7.620   3.929
  180    HE1  HIS  26           HE1      HIS  26  -4.242  -7.264   7.550
  181    HE2  HIS  26           HE2      HIS  26  -6.388  -8.064   6.478
  182    H    LEU  27           H        LEU  27  -3.433  -5.766  -0.053
  183    HA   LEU  27           HA       LEU  27  -2.011  -3.363   0.124
  184   1HB   LEU  27          1HB       LEU  27  -1.691  -5.213  -1.578
  185   2HB   LEU  27          2HB       LEU  27  -3.093  -4.588  -2.420
  186    HG   LEU  27           HG       LEU  27  -1.949  -2.881  -3.349
  187   1HD1  LEU  27          1HD1      LEU  27  -1.535  -1.943  -0.985
  188   2HD1  LEU  27          2HD1      LEU  27   0.081  -2.622  -1.174
  189   3HD1  LEU  27          3HD1      LEU  27  -0.505  -1.410  -2.312
  190   1HD2  LEU  27          1HD2      LEU  27  -0.273  -5.149  -3.011
  191   2HD2  LEU  27          2HD2      LEU  27  -0.341  -3.998  -4.348
  192   3HD2  LEU  27          3HD2      LEU  27   0.717  -3.688  -2.973
  193    H    ALA  28           H        ALA  28  -4.914  -4.018  -1.808
  194    HA   ALA  28           HA       ALA  28  -5.455  -1.413  -2.552
  195   1HB   ALA  28          1HB       ALA  28  -6.843  -2.623  -3.790
  196   2HB   ALA  28          2HB       ALA  28  -6.835  -3.952  -2.632
  197   3HB   ALA  28          3HB       ALA  28  -7.943  -2.599  -2.413
  198    H    LEU  29           H        LEU  29  -6.404  -3.111   0.395
  199    HA   LEU  29           HA       LEU  29  -8.306  -1.319   1.366
  200   1HB   LEU  29          1HB       LEU  29  -6.325  -3.075   2.780
  201   2HB   LEU  29          2HB       LEU  29  -7.490  -2.093   3.644
  202    HG   LEU  29           HG       LEU  29  -8.326  -4.106   1.572
  203   1HD1  LEU  29          1HD1      LEU  29  -8.925  -5.444   3.711
  204   2HD1  LEU  29          2HD1      LEU  29  -7.282  -5.513   3.066
  205   3HD1  LEU  29          3HD1      LEU  29  -7.645  -4.483   4.454
  206   1HD2  LEU  29          1HD2      LEU  29 -10.428  -4.001   2.976
  207   2HD2  LEU  29          2HD2      LEU  29  -9.720  -2.587   3.758
  208   3HD2  LEU  29          3HD2      LEU  29 -10.049  -2.562   2.026
  209    H    HIS  30           H        HIS  30  -4.785  -1.286   1.719
  210    HA   HIS  30           HA       HIS  30  -4.772   1.195   3.187
  211   1HB   HIS  30          1HB       HIS  30  -2.896  -0.074   3.711
  212   2HB   HIS  30          2HB       HIS  30  -2.673  -0.625   2.058
  213    HD1  HIS  30           HD1      HIS  30  -2.184   2.535   4.129
  214    HD2  HIS  30           HD2      HIS  30  -0.805   0.721   0.653
  215    HE1  HIS  30           HE1      HIS  30  -0.295   3.985   3.267
  216    H    ARG  31           H        ARG  31  -4.343   0.163  -0.148
  217    HA   ARG  31           HA       ARG  31  -3.356   2.664  -1.049
  218   1HB   ARG  31          1HB       ARG  31  -4.409   0.227  -2.448
  219   2HB   ARG  31          2HB       ARG  31  -4.008   1.690  -3.342
  220   1HG   ARG  31          1HG       ARG  31  -1.740   1.512  -2.095
  221   2HG   ARG  31          2HG       ARG  31  -2.217  -0.164  -1.843
  222   1HD   ARG  31          1HD       ARG  31  -0.869  -0.040  -3.823
  223   2HD   ARG  31          2HD       ARG  31  -2.531  -0.388  -4.297
  224    HE   ARG  31           HE       ARG  31  -1.208   2.232  -4.554
  225   1HH1  ARG  31          1HH1      ARG  31  -3.586  -0.120  -5.589
  226   2HH1  ARG  31          2HH1      ARG  31  -4.158   0.852  -6.918
  227   1HH2  ARG  31          1HH2      ARG  31  -1.933   3.508  -6.292
  228   2HH2  ARG  31          2HH2      ARG  31  -3.218   2.929  -7.317
  229    H    LYS  32           H        LYS  32  -6.378   1.829  -0.017
  230    HA   LYS  32           HA       LYS  32  -8.049   3.146  -1.877
  231   1HB   LYS  32          1HB       LYS  32  -8.317   1.909   0.721
  232   2HB   LYS  32          2HB       LYS  32  -9.228   3.411   0.654
  233   1HG   LYS  32          1HG       LYS  32 -10.438   1.275   0.000
  234   2HG   LYS  32          2HG       LYS  32 -10.577   2.651  -1.095
  235   1HD   LYS  32          1HD       LYS  32  -9.389   1.637  -2.739
  236   2HD   LYS  32          2HD       LYS  32  -8.337   0.785  -1.600
  237   1HE   LYS  32          1HE       LYS  32  -9.572  -0.944  -2.513
  238   2HE   LYS  32          2HE       LYS  32 -10.481  -0.575  -1.049
  239   1HZ   LYS  32          1HZ       LYS  32 -12.252  -0.020  -2.241
  240   2HZ   LYS  32          2HZ       LYS  32 -11.472  -0.666  -3.599
  241   3HZ   LYS  32          3HZ       LYS  32 -11.355   0.992  -3.268
  242    H    ARG  33           H        ARG  33  -5.985   4.216   0.675
  243    HA   ARG  33           HA       ARG  33  -7.044   6.888   0.794
  244   1HB   ARG  33          1HB       ARG  33  -5.247   5.336   2.323
  245   2HB   ARG  33          2HB       ARG  33  -4.333   6.716   1.731
  246   1HG   ARG  33          1HG       ARG  33  -5.805   8.250   2.761
  247   2HG   ARG  33          2HG       ARG  33  -6.989   6.988   3.100
  248   1HD   ARG  33          1HD       ARG  33  -5.847   7.485   5.139
  249   2HD   ARG  33          2HD       ARG  33  -5.307   5.902   4.580
  250    HE   ARG  33           HE       ARG  33  -3.703   8.311   4.036
  251   1HH1  ARG  33          1HH1      ARG  33  -4.051   5.119   5.419
  252   2HH1  ARG  33          2HH1      ARG  33  -2.372   4.969   5.849
  253   1HH2  ARG  33          1HH2      ARG  33  -1.474   8.131   4.600
  254   2HH2  ARG  33          2HH2      ARG  33  -0.913   6.686   5.396
  255    H    HIS  34           H        HIS  34  -5.248   5.204  -1.440
  256    HA   HIS  34           HA       HIS  34  -3.831   7.605  -2.361
  257   1HB   HIS  34          1HB       HIS  34  -3.526   4.708  -3.191
  258   2HB   HIS  34          2HB       HIS  34  -2.617   6.050  -3.876
  259    HD1  HIS  34           HD1      HIS  34  -1.617   7.541  -1.455
  260    HD2  HIS  34           HD2      HIS  34  -1.843   3.390  -1.594
  261    HE1  HIS  34           HE1      HIS  34   0.062   6.669   0.228
  262    H    MET  35           H        MET  35  -6.747   6.251  -2.670
  263    HA   MET  35           HA       MET  35  -7.014   6.534  -5.555
  264   1HB   MET  35          1HB       MET  35  -9.251   6.033  -3.599
  265   2HB   MET  35          2HB       MET  35  -9.226   5.693  -5.323
  266   1HG   MET  35          1HG       MET  35  -7.239   4.324  -3.598
  267   2HG   MET  35          2HG       MET  35  -8.920   3.802  -3.519
  268   1HE   MET  35          1HE       MET  35  -6.343   2.376  -4.138
  269   2HE   MET  35          2HE       MET  35  -7.423   1.145  -4.794
  270   3HE   MET  35          3HE       MET  35  -6.118   1.789  -5.787
  271    H    LEU  36           H        LEU  36  -7.453   8.349  -2.684
  272    HA   LEU  36           HA       LEU  36  -8.570  10.546  -4.273
  273   1HB   LEU  36          1HB       LEU  36  -9.234  10.152  -1.362
  274   2HB   LEU  36          2HB       LEU  36  -9.981  11.254  -2.503
  275    HG   LEU  36           HG       LEU  36 -10.247   8.419  -3.232
  276   1HD1  LEU  36          1HD1      LEU  36 -11.069   7.604  -1.347
  277   2HD1  LEU  36          2HD1      LEU  36 -10.648   9.106  -0.527
  278   3HD1  LEU  36          3HD1      LEU  36 -12.242   8.916  -1.259
  279   1HD2  LEU  36          1HD2      LEU  36 -12.300   9.091  -4.026
  280   2HD2  LEU  36          2HD2      LEU  36 -12.475  10.361  -2.816
  281   3HD2  LEU  36          3HD2      LEU  36 -11.367  10.579  -4.169
  282    H    VAL  37           H        VAL  37  -6.508  11.370  -4.547
  283    HA   VAL  37           HA       VAL  37  -4.943  11.902  -2.149
  284    HB   VAL  37           HB       VAL  37  -4.163  12.278  -5.048
  285   1HG1  VAL  37          1HG1      VAL  37  -2.041  11.943  -3.088
  286   2HG1  VAL  37          2HG1      VAL  37  -2.224  13.148  -4.362
  287   3HG1  VAL  37          3HG1      VAL  37  -3.013  13.386  -2.802
  288   1HG2  VAL  37          1HG2      VAL  37  -3.393  10.155  -5.117
  289   2HG2  VAL  37          2HG2      VAL  37  -2.914  10.162  -3.419
  290   3HG2  VAL  37          3HG2      VAL  37  -4.602   9.892  -3.858
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1   8.126   2.691  -2.851
    2   2H    GLY   1          2H        GLY   1   8.629   2.398  -4.443
    3   3H    GLY   1          3H        GLY   1   9.394   1.606  -3.153
    4   1HA   GLY   1          1HA       GLY   1   7.893  -0.011  -3.084
    5   2HA   GLY   1          2HA       GLY   1   6.572   1.149  -3.159
    6    H    SER   2           H        SER   2   7.360  -1.485  -4.599
    7    HA   SER   2           HA       SER   2   7.217  -2.414  -6.669
    8   1HB   SER   2          1HB       SER   2   5.354  -0.063  -6.923
    9   2HB   SER   2          2HB       SER   2   5.620  -1.164  -8.275
   10    HG   SER   2           HG       SER   2   4.836  -2.853  -7.047
   11    H    THR   3           H        THR   3   9.523  -1.182  -6.312
   12    HA   THR   3           HA       THR   3  10.090   0.824  -8.249
   13    HB   THR   3           HB       THR   3  12.480  -0.347  -7.258
   14    HG1  THR   3           HG1      THR   3  11.943  -0.299  -4.980
   15   1HG2  THR   3          1HG2      THR   3  12.773   1.748  -6.196
   16   2HG2  THR   3          2HG2      THR   3  11.035   2.032  -6.118
   17   3HG2  THR   3          3HG2      THR   3  11.869   2.085  -7.672
   18    H    ARG   4           H        ARG   4   9.061  -1.524  -9.477
   19    HA   ARG   4           HA       ARG   4   9.391  -2.936 -11.227
   20   1HB   ARG   4          1HB       ARG   4  11.372  -0.739 -11.700
   21   2HB   ARG   4          2HB       ARG   4  11.294  -2.102 -12.806
   22   1HG   ARG   4          1HG       ARG   4   9.871  -0.671 -13.847
   23   2HG   ARG   4          2HG       ARG   4   8.727  -1.520 -12.807
   24   1HD   ARG   4          1HD       ARG   4   8.656   1.063 -12.911
   25   2HD   ARG   4          2HD       ARG   4   8.531   0.264 -11.346
   26    HE   ARG   4           HE       ARG   4  11.229   0.964 -12.052
   27   1HH1  ARG   4          1HH1      ARG   4   8.255   2.135 -10.624
   28   2HH1  ARG   4          2HH1      ARG   4   9.047   3.364  -9.672
   29   1HH2  ARG   4          1HH2      ARG   4  12.265   2.584 -10.842
   30   2HH2  ARG   4          2HH2      ARG   4  11.332   3.633  -9.812
   31    H    GLY   5           H        GLY   5  10.108  -4.496  -9.493
   32   1HA   GLY   5          1HA       GLY   5  11.427  -6.443  -9.413
   33   2HA   GLY   5          2HA       GLY   5  12.676  -5.620 -10.335
   34    H    SER   6           H        SER   6  11.408  -3.804  -7.796
   35    HA   SER   6           HA       SER   6  13.526  -4.640  -5.952
   36   1HB   SER   6          1HB       SER   6  12.838  -1.747  -6.511
   37   2HB   SER   6          2HB       SER   6  14.148  -2.362  -5.507
   38    HG   SER   6           HG       SER   6  14.732  -1.656  -7.692
   39    H    THR   7           H        THR   7  10.812  -5.335  -5.943
   40    HA   THR   7           HA       THR   7   9.446  -3.737  -3.946
   41    HB   THR   7           HB       THR   7   8.129  -6.173  -4.140
   42    HG1  THR   7           HG1      THR   7   8.711  -7.047  -5.979
   43   1HG2  THR   7          1HG2      THR   7   6.521  -4.974  -5.521
   44   2HG2  THR   7          2HG2      THR   7   7.726  -3.739  -5.886
   45   3HG2  THR   7          3HG2      THR   7   7.120  -3.920  -4.240
   46    H    GLY   8           H        GLY   8  10.587  -3.739  -2.140
   47   1HA   GLY   8          1HA       GLY   8  12.262  -5.701  -1.229
   48   2HA   GLY   8          2HA       GLY   8  11.537  -4.479  -0.199
   49    H    ILE   9           H        ILE   9   9.757  -5.002   1.064
   50    HA   ILE   9           HA       ILE   9   9.722  -7.798   1.794
   51    HB   ILE   9           HB       ILE   9   7.943  -5.673   2.966
   52   1HG1  ILE   9          1HG1      ILE   9  10.725  -6.255   3.964
   53   2HG1  ILE   9          2HG1      ILE   9  10.419  -4.991   2.776
   54   1HG2  ILE   9          1HG2      ILE   9   9.212  -8.140   4.149
   55   2HG2  ILE   9          2HG2      ILE   9   8.181  -6.998   5.011
   56   3HG2  ILE   9          3HG2      ILE   9   7.520  -7.956   3.685
   57   1HD1  ILE   9          1HD1      ILE   9  10.465  -4.553   5.404
   58   2HD1  ILE   9          2HD1      ILE   9   9.470  -3.615   4.289
   59   3HD1  ILE   9          3HD1      ILE   9   8.754  -4.938   5.211
   60    H    LYS  10           H        LYS  10   7.802  -9.058   2.053
   61    HA   LYS  10           HA       LYS  10   5.908 -10.064   1.364
   62   1HB   LYS  10          1HB       LYS  10   5.254  -7.264   1.961
   63   2HB   LYS  10          2HB       LYS  10   4.007  -8.178   1.123
   64   1HG   LYS  10          1HG       LYS  10   3.445  -9.238   2.991
   65   2HG   LYS  10          2HG       LYS  10   5.113  -9.744   3.261
   66   1HD   LYS  10          1HD       LYS  10   5.610  -7.641   4.351
   67   2HD   LYS  10          2HD       LYS  10   3.986  -7.048   4.003
   68   1HE   LYS  10          1HE       LYS  10   3.041  -8.267   5.660
   69   2HE   LYS  10          2HE       LYS  10   4.169  -9.608   5.462
   70   1HZ   LYS  10          1HZ       LYS  10   5.073  -7.034   6.596
   71   2HZ   LYS  10          2HZ       LYS  10   5.755  -8.579   6.771
   72   3HZ   LYS  10          3HZ       LYS  10   4.313  -8.196   7.574
   73    HA   PRO  11           HA       PRO  11   5.466 -10.321  -2.965
   74   1HB   PRO  11          1HB       PRO  11   3.012 -11.496  -3.150
   75   2HB   PRO  11          2HB       PRO  11   4.472 -12.355  -2.652
   76   1HG   PRO  11          1HG       PRO  11   2.300 -11.176  -0.963
   77   2HG   PRO  11          2HG       PRO  11   3.112 -12.746  -0.803
   78   1HD   PRO  11          1HD       PRO  11   3.768 -10.651   0.742
   79   2HD   PRO  11          2HD       PRO  11   4.983 -11.820   0.189
   80    H    PHE  12           H        PHE  12   3.173  -8.483  -1.132
   81    HA   PHE  12           HA       PHE  12   2.398  -7.085  -3.597
   82   1HB   PHE  12          1HB       PHE  12   0.585  -7.714  -1.258
   83   2HB   PHE  12          2HB       PHE  12   0.144  -6.745  -2.663
   84    HD1  PHE  12           HD1      PHE  12   0.151  -9.978  -1.256
   85    HD2  PHE  12           HD2      PHE  12   0.387  -7.920  -4.971
   86    HE1  PHE  12           HE1      PHE  12  -0.548 -12.022  -2.428
   87    HE2  PHE  12           HE2      PHE  12  -0.314  -9.961  -6.153
   88    HZ   PHE  12           HZ       PHE  12  -0.774 -12.019  -4.882
   89    H    GLN  13           H        GLN  13   3.917  -5.509  -3.226
   90    HA   GLN  13           HA       GLN  13   3.936  -3.985  -0.772
   91   1HB   GLN  13          1HB       GLN  13   5.731  -4.617  -2.812
   92   2HB   GLN  13          2HB       GLN  13   5.454  -2.892  -2.974
   93   1HG   GLN  13          1HG       GLN  13   5.934  -2.869  -0.420
   94   2HG   GLN  13          2HG       GLN  13   6.695  -4.423  -0.754
   95   1HE2  GLN  13          1HE2      GLN  13   8.518  -2.982   0.109
   96   2HE2  GLN  13          2HE2      GLN  13   9.470  -2.176  -1.095
   97    H    CYS  14           H        CYS  14   3.567  -1.703  -0.692
   98    HA   CYS  14           HA       CYS  14   1.541  -0.675  -2.465
   99   1HB   CYS  14          1HB       CYS  14   1.516   0.169  -0.192
  100   2HB   CYS  14          2HB       CYS  14   3.181   0.731  -0.345
  101    HA   PRO  15           HA       PRO  15   4.548   0.658  -5.462
  102   1HB   PRO  15          1HB       PRO  15   2.881   2.029  -7.088
  103   2HB   PRO  15          2HB       PRO  15   2.904   0.263  -7.022
  104   1HG   PRO  15          1HG       PRO  15   1.013   2.185  -5.731
  105   2HG   PRO  15          2HG       PRO  15   0.668   0.645  -6.537
  106   1HD   PRO  15          1HD       PRO  15   0.812   0.927  -3.827
  107   2HD   PRO  15          2HD       PRO  15   1.179  -0.588  -4.673
  108    H    ASP  16           H        ASP  16   2.930   2.636  -3.250
  109    HA   ASP  16           HA       ASP  16   4.363   5.019  -4.250
  110   1HB   ASP  16          1HB       ASP  16   1.793   5.033  -4.070
  111   2HB   ASP  16          2HB       ASP  16   2.052   5.130  -2.333
  112    H    CYS  17           H        CYS  17   3.737   3.019  -1.439
  113    HA   CYS  17           HA       CYS  17   5.358   4.820   0.199
  114   1HB   CYS  17          1HB       CYS  17   3.623   2.494   1.018
  115   2HB   CYS  17          2HB       CYS  17   4.482   3.564   2.122
  116    H    ASP  18           H        ASP  18   5.353   1.581  -1.027
  117    HA   ASP  18           HA       ASP  18   6.927  -0.085  -1.086
  118   1HB   ASP  18          1HB       ASP  18   9.130   0.251  -0.718
  119   2HB   ASP  18          2HB       ASP  18   8.682   1.943  -0.647
  120    H    ARG  19           H        ARG  19   4.860   0.818   0.880
  121    HA   ARG  19           HA       ARG  19   5.228  -0.691   3.282
  122   1HB   ARG  19          1HB       ARG  19   3.073   0.755   1.947
  123   2HB   ARG  19          2HB       ARG  19   2.520  -0.749   2.675
  124   1HG   ARG  19          1HG       ARG  19   3.229  -0.081   4.820
  125   2HG   ARG  19          2HG       ARG  19   4.137   1.282   4.169
  126   1HD   ARG  19          1HD       ARG  19   2.123   2.132   5.109
  127   2HD   ARG  19          2HD       ARG  19   1.995   2.230   3.353
  128    HE   ARG  19           HE       ARG  19   0.297   0.686   3.390
  129   1HH1  ARG  19          1HH1      ARG  19   1.917   0.682   6.506
  130   2HH1  ARG  19          2HH1      ARG  19   0.638  -0.159   7.324
  131   1HH2  ARG  19          1HH2      ARG  19  -1.416  -0.407   4.503
  132   2HH2  ARG  19          2HH2      ARG  19  -1.250  -0.774   6.195
  133    H    SER  20           H        SER  20   4.112  -2.784   3.665
  134    HA   SER  20           HA       SER  20   4.105  -4.355   1.168
  135   1HB   SER  20          1HB       SER  20   5.329  -6.045   2.947
  136   2HB   SER  20          2HB       SER  20   6.158  -5.046   1.751
  137    HG   SER  20           HG       SER  20   6.428  -3.451   3.338
  138    H    PHE  21           H        PHE  21   2.699  -5.952   0.974
  139    HA   PHE  21           HA       PHE  21   1.210  -6.824   3.368
  140   1HB   PHE  21          1HB       PHE  21  -0.178  -6.314   0.740
  141   2HB   PHE  21          2HB       PHE  21  -0.892  -6.512   2.339
  142    HD1  PHE  21           HD1      PHE  21  -1.027  -4.684   3.873
  143    HD2  PHE  21           HD2      PHE  21   0.914  -4.224   0.114
  144    HE1  PHE  21           HE1      PHE  21  -0.975  -2.251   4.197
  145    HE2  PHE  21           HE2      PHE  21   0.960  -1.788   0.431
  146    HZ   PHE  21           HZ       PHE  21   0.025  -0.805   2.475
  147    H    SER  22           H        SER  22   0.413  -8.929   3.300
  148    HA   SER  22           HA       SER  22   1.787 -10.676   1.429
  149   1HB   SER  22          1HB       SER  22   0.021 -12.093   3.188
  150   2HB   SER  22          2HB       SER  22   1.786 -12.058   3.206
  151    HG   SER  22           HG       SER  22   1.658 -10.914   4.948
  152    H    ARG  23           H        ARG  23  -1.147  -9.097   1.692
  153    HA   ARG  23           HA       ARG  23  -2.437 -10.896  -0.255
  154   1HB   ARG  23          1HB       ARG  23  -3.693  -9.286   1.977
  155   2HB   ARG  23          2HB       ARG  23  -4.599 -10.111   0.715
  156   1HG   ARG  23          1HG       ARG  23  -3.094 -12.139   1.636
  157   2HG   ARG  23          2HG       ARG  23  -3.278 -11.177   3.108
  158   1HD   ARG  23          1HD       ARG  23  -5.533 -12.058   1.328
  159   2HD   ARG  23          2HD       ARG  23  -5.039 -12.896   2.798
  160    HE   ARG  23           HE       ARG  23  -6.402 -10.321   2.597
  161   1HH1  ARG  23          1HH1      ARG  23  -4.719 -12.610   4.655
  162   2HH1  ARG  23          2HH1      ARG  23  -5.508 -12.079   6.112
  163   1HH2  ARG  23          1HH2      ARG  23  -7.457  -9.631   4.504
  164   2HH2  ARG  23          2HH2      ARG  23  -7.077 -10.400   6.024
  165    H    SER  24           H        SER  24  -3.213 -10.072  -1.988
  166    HA   SER  24           HA       SER  24  -2.530  -7.473  -2.843
  167   1HB   SER  24          1HB       SER  24  -4.574  -8.454  -4.473
  168   2HB   SER  24          2HB       SER  24  -2.841  -8.666  -4.713
  169    HG   SER  24           HG       SER  24  -3.611 -10.695  -4.670
  170    H    ASP  25           H        ASP  25  -5.291  -8.924  -1.321
  171    HA   ASP  25           HA       ASP  25  -7.173  -6.868  -1.688
  172   1HB   ASP  25          1HB       ASP  25  -8.425  -8.440  -0.719
  173   2HB   ASP  25          2HB       ASP  25  -6.992  -9.388  -0.417
  174    H    HIS  26           H        HIS  26  -4.716  -7.480   0.775
  175    HA   HIS  26           HA       HIS  26  -5.467  -5.319   2.461
  176   1HB   HIS  26          1HB       HIS  26  -3.335  -7.320   2.381
  177   2HB   HIS  26          2HB       HIS  26  -2.813  -5.768   3.030
  178    HD1  HIS  26           HD1      HIS  26  -2.751  -6.216   5.499
  179    HD2  HIS  26           HD2      HIS  26  -6.287  -7.490   3.717
  180    HE1  HIS  26           HE1      HIS  26  -4.255  -6.907   7.391
  181    HE2  HIS  26           HE2      HIS  26  -6.465  -7.414   6.299
  182    H    LEU  27           H        LEU  27  -3.381  -5.664  -0.298
  183    HA   LEU  27           HA       LEU  27  -1.953  -3.244  -0.182
  184   1HB   LEU  27          1HB       LEU  27  -1.687  -5.139  -1.877
  185   2HB   LEU  27          2HB       LEU  27  -3.092  -4.483  -2.691
  186    HG   LEU  27           HG       LEU  27  -1.938  -2.806  -3.634
  187   1HD1  LEU  27          1HD1      LEU  27  -1.509  -1.836  -1.319
  188   2HD1  LEU  27          2HD1      LEU  27   0.083  -2.590  -1.437
  189   3HD1  LEU  27          3HD1      LEU  27  -0.410  -1.377  -2.620
  190   1HD2  LEU  27          1HD2      LEU  27   0.360  -3.361  -4.160
  191   2HD2  LEU  27          2HD2      LEU  27   0.389  -4.546  -2.852
  192   3HD2  LEU  27          3HD2      LEU  27  -0.674  -4.789  -4.241
  193    H    ALA  28           H        ALA  28  -4.928  -4.007  -1.963
  194    HA   ALA  28           HA       ALA  28  -5.602  -1.426  -2.705
  195   1HB   ALA  28          1HB       ALA  28  -6.959  -4.014  -2.584
  196   2HB   ALA  28          2HB       ALA  28  -8.047  -2.633  -2.438
  197   3HB   ALA  28          3HB       ALA  28  -6.983  -2.774  -3.839
  198    H    LEU  29           H        LEU  29  -6.473  -3.188   0.257
  199    HA   LEU  29           HA       LEU  29  -8.302  -1.407   1.338
  200   1HB   LEU  29          1HB       LEU  29  -6.294  -3.215   2.632
  201   2HB   LEU  29          2HB       LEU  29  -7.407  -2.240   3.570
  202    HG   LEU  29           HG       LEU  29  -8.209  -4.331   1.554
  203   1HD1  LEU  29          1HD1      LEU  29  -7.271  -4.644   4.166
  204   2HD1  LEU  29          2HD1      LEU  29  -9.023  -4.822   4.259
  205   3HD1  LEU  29          3HD1      LEU  29  -8.090  -5.844   3.165
  206   1HD2  LEU  29          1HD2      LEU  29 -10.442  -3.991   2.768
  207   2HD2  LEU  29          2HD2      LEU  29  -9.756  -2.458   3.305
  208   3HD2  LEU  29          3HD2      LEU  29  -9.946  -2.781   1.582
  209    H    HIS  30           H        HIS  30  -4.781  -1.394   1.579
  210    HA   HIS  30           HA       HIS  30  -4.702   0.999   3.167
  211   1HB   HIS  30          1HB       HIS  30  -2.786  -0.271   3.502
  212   2HB   HIS  30          2HB       HIS  30  -2.666  -0.734   1.810
  213    HD1  HIS  30           HD1      HIS  30  -2.196   2.414   3.921
  214    HD2  HIS  30           HD2      HIS  30  -0.801   0.628   0.431
  215    HE1  HIS  30           HE1      HIS  30  -0.369   3.920   3.023
  216    H    ARG  31           H        ARG  31  -4.433   0.164  -0.230
  217    HA   ARG  31           HA       ARG  31  -3.495   2.711  -1.030
  218   1HB   ARG  31          1HB       ARG  31  -4.586   0.353  -2.547
  219   2HB   ARG  31          2HB       ARG  31  -4.131   1.851  -3.353
  220   1HG   ARG  31          1HG       ARG  31  -1.894   1.528  -2.066
  221   2HG   ARG  31          2HG       ARG  31  -2.412  -0.152  -1.967
  222   1HD   ARG  31          1HD       ARG  31  -1.062   0.037  -3.906
  223   2HD   ARG  31          2HD       ARG  31  -2.736  -0.080  -4.464
  224    HE   ARG  31           HE       ARG  31  -1.178   2.425  -4.335
  225   1HH1  ARG  31          1HH1      ARG  31  -3.671   0.432  -5.795
  226   2HH1  ARG  31          2HH1      ARG  31  -3.992   1.563  -7.076
  227   1HH2  ARG  31          1HH2      ARG  31  -1.669   3.945  -5.967
  228   2HH2  ARG  31          2HH2      ARG  31  -2.878   3.570  -7.162
  229    H    LYS  32           H        LYS  32  -6.475   1.810   0.038
  230    HA   LYS  32           HA       LYS  32  -8.193   3.257  -1.699
  231   1HB   LYS  32          1HB       LYS  32  -8.408   1.840   0.809
  232   2HB   LYS  32          2HB       LYS  32  -9.296   3.357   0.876
  233   1HG   LYS  32          1HG       LYS  32 -10.635   1.390   0.138
  234   2HG   LYS  32          2HG       LYS  32 -10.639   2.744  -0.993
  235   1HD   LYS  32          1HD       LYS  32  -9.709   1.512  -2.610
  236   2HD   LYS  32          2HD       LYS  32  -8.464   0.891  -1.518
  237   1HE   LYS  32          1HE       LYS  32  -9.708  -0.981  -2.281
  238   2HE   LYS  32          2HE       LYS  32 -10.199  -0.689  -0.614
  239   1HZ   LYS  32          1HZ       LYS  32 -12.267  -0.022  -1.235
  240   2HZ   LYS  32          2HZ       LYS  32 -11.945  -1.101  -2.508
  241   3HZ   LYS  32          3HZ       LYS  32 -11.765   0.568  -2.746
  242    H    ARG  33           H        ARG  33  -6.049   4.109   0.879
  243    HA   ARG  33           HA       ARG  33  -7.048   6.763   1.245
  244   1HB   ARG  33          1HB       ARG  33  -5.073   5.084   2.457
  245   2HB   ARG  33          2HB       ARG  33  -4.328   6.616   2.022
  246   1HG   ARG  33          1HG       ARG  33  -6.872   6.408   3.593
  247   2HG   ARG  33          2HG       ARG  33  -5.266   6.525   4.320
  248   1HD   ARG  33          1HD       ARG  33  -4.919   8.627   3.026
  249   2HD   ARG  33          2HD       ARG  33  -6.606   8.528   2.519
  250    HE   ARG  33           HE       ARG  33  -6.229   8.401   5.361
  251   1HH1  ARG  33          1HH1      ARG  33  -6.537  10.579   2.638
  252   2HH1  ARG  33          2HH1      ARG  33  -7.255  11.849   3.576
  253   1HH2  ARG  33          1HH2      ARG  33  -7.139  10.092   6.607
  254   2HH2  ARG  33          2HH2      ARG  33  -7.599  11.582   5.823
  255    H    HIS  34           H        HIS  34  -5.121   5.195  -1.061
  256    HA   HIS  34           HA       HIS  34  -3.829   7.648  -1.969
  257   1HB   HIS  34          1HB       HIS  34  -3.735   4.806  -2.998
  258   2HB   HIS  34          2HB       HIS  34  -2.923   6.153  -3.788
  259    HD1  HIS  34           HD1      HIS  34  -1.230   7.505  -1.938
  260    HD2  HIS  34           HD2      HIS  34  -2.100   3.480  -1.358
  261    HE1  HIS  34           HE1      HIS  34   0.547   6.606  -0.383
  262    H    MET  35           H        MET  35  -6.785   6.195  -2.224
  263    HA   MET  35           HA       MET  35  -7.318   6.984  -4.975
  264   1HB   MET  35          1HB       MET  35  -9.170   5.852  -2.874
  265   2HB   MET  35          2HB       MET  35  -9.576   6.105  -4.566
  266   1HG   MET  35          1HG       MET  35  -7.462   4.233  -3.525
  267   2HG   MET  35          2HG       MET  35  -9.071   3.768  -4.074
  268   1HE   MET  35          1HE       MET  35  -7.228   2.196  -4.930
  269   2HE   MET  35          2HE       MET  35  -7.792   2.065  -6.596
  270   3HE   MET  35          3HE       MET  35  -6.127   2.539  -6.266
  271    H    LEU  36           H        LEU  36  -7.226   8.407  -1.973
  272    HA   LEU  36           HA       LEU  36  -8.943  10.598  -2.905
  273   1HB   LEU  36          1HB       LEU  36  -8.612  10.678  -0.053
  274   2HB   LEU  36          2HB       LEU  36 -10.093  10.642  -0.990
  275    HG   LEU  36           HG       LEU  36  -8.867   8.014  -0.834
  276   1HD1  LEU  36          1HD1      LEU  36  -8.059   8.938   1.320
  277   2HD1  LEU  36          2HD1      LEU  36  -9.735   9.258   1.768
  278   3HD1  LEU  36          3HD1      LEU  36  -9.194   7.600   1.507
  279   1HD2  LEU  36          1HD2      LEU  36 -11.542   9.165  -0.058
  280   2HD2  LEU  36          2HD2      LEU  36 -11.134   8.326  -1.555
  281   3HD2  LEU  36          3HD2      LEU  36 -11.148   7.446  -0.025
  282    H    VAL  37           H        VAL  37  -6.528  10.599  -3.778
  283    HA   VAL  37           HA       VAL  37  -4.916  12.187  -1.915
  284    HB   VAL  37           HB       VAL  37  -4.086   9.881  -2.789
  285   1HG1  VAL  37          1HG1      VAL  37  -3.833   9.641  -4.977
  286   2HG1  VAL  37          2HG1      VAL  37  -4.287  11.323  -5.250
  287   3HG1  VAL  37          3HG1      VAL  37  -2.600  10.903  -4.951
  288   1HG2  VAL  37          1HG2      VAL  37  -2.308  12.309  -2.939
  289   2HG2  VAL  37          2HG2      VAL  37  -2.749  11.439  -1.470
  290   3HG2  VAL  37          3HG2      VAL  37  -1.776  10.644  -2.709