*HEADER    PLANT PROTEIN                           16-JUN-03   1UGL              
*TITLE     SOLUTION STRUCTURE OF S8-SP11                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: S-LOCUS POLLEN PROTEIN;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-50;                                             
*COMPND   5 SYNONYM: SP8-SP11;                                                   
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN BRASSICA            
*SOURCE   4 RAPA                                                                 
*KEYWDS    NMR, MALE DETERMINANT OF SELF-INCOMPATIBILITY, DEFENSIN-              
*KEYWDS   2 LIKE, SP11, SCR, CYSTEINE-RICH                                       
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    M.MISHIMA, S.TAKAYAMA, K.SASAKI, J.G.JEE, C.KOJIMA,                   
*AUTHOR   2 A.ISOGAI, M.SHIRAKAWA                                                
*REVDAT   1   30-SEP-03 1UGL    0                                                

 ASSI {    1}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak     1 spectrum    1 weight   .10000E+01 volume   .16255E-02 ppm1      8.349 ppm2      4.458 CV
 ASSI {    2}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.700     2.700     3.300 peak     2 spectrum    1 weight   .10000E+01 volume   .21248E-02 ppm1      8.344 ppm2      1.999 CV
 ASSI {    3}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      3.200     1.300     1.300 peak     3 spectrum    1 weight   .10000E+01 volume   .73622E-03 ppm1      8.345 ppm2      2.059 CV
 ASSI {    4}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
      2.900     1.000     1.000 peak     4 spectrum    1 weight   .10000E+01 volume   .13850E-02 ppm1      3.937 ppm2      4.855 CV
 ASSI {    5}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.400      .700      .700 peak     5 spectrum    1 weight   .10000E+01 volume   .45922E-02 ppm1      1.107 ppm2      4.857 CV
 ASSI {    9}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HA  ))
      3.200     1.300     1.300 peak     9 spectrum    1 weight   .10000E+01 volume   .74715E-03 ppm1      2.778 ppm2      4.406 CV
 ASSI {   10}
   (( segid "    " and resid 8    and name HD3 ))
   (( segid "    " and resid 8    and name HA  ))
      3.300     1.400     1.400 peak    10 spectrum    1 weight   .10000E+01 volume   .58314E-03 ppm1      2.727 ppm2      4.401 CV
 ASSI {   11}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.700      .900      .900 peak    11 spectrum    1 weight   .10000E+01 volume   .19572E-02 ppm1      8.254 ppm2      4.406 CV
 ASSI {   12}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA1 ))
      2.600      .900      .900 peak    12 spectrum    1 weight   .10000E+01 volume   .23107E-02 ppm1      8.286 ppm2      4.079 CV
 ASSI {   13}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
      2.600      .800      .800 peak    13 spectrum    1 weight   .10000E+01 volume   .26970E-02 ppm1      3.172 ppm2       4.68 CV
 ASSI {   14}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.700      .900      .900 peak    14 spectrum    1 weight   .10000E+01 volume   .19243E-02 ppm1       2.87 ppm2      4.682 CV
 ASSI {   15}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.700      .900      .900 peak    15 spectrum    1 weight   .10000E+01 volume   .20848E-02 ppm1      7.943 ppm2      4.684 CV
 ASSI {   16}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      3.000     1.100     1.100 peak    16 spectrum    1 weight   .10000E+01 volume   .11262E-02 ppm1      7.942 ppm2      3.187 CV
 ASSI {   17}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.700      .900      .900 peak    17 spectrum    1 weight   .10000E+01 volume   .21285E-02 ppm1      8.422 ppm2      4.353 CV
 ASSI {   18}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.700      .900      .900 peak    18 spectrum    1 weight   .10000E+01 volume   .22524E-02 ppm1      8.374 ppm2      4.484 CV
 ASSI {   19}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
      2.500      .800      .800 peak    19 spectrum    1 weight   .10000E+01 volume   .35353E-02 ppm1      1.596 ppm2      4.272 CV
 ASSI {   20}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.700      .900      .900 peak    20 spectrum    1 weight   .10000E+01 volume   .18552E-02 ppm1      1.684 ppm2      4.271 CV
 ASSI {   21}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak    21 spectrum    1 weight   .10000E+01 volume   .92573E-03 ppm1      0.947 ppm2      4.265 CV
 ASSI {   22}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
      2.600     2.600     3.400 peak    22 spectrum    1 weight   .10000E+01 volume   .28100E-02 ppm1      0.902 ppm2      4.268 CV
 ASSI {   23}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak    23 spectrum    1 weight   .10000E+01 volume   .92942E-03 ppm1      1.738 ppm2      4.272 CV
 ASSI {   24}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.400      .700      .700 peak    24 spectrum    1 weight   .10000E+01 volume   .38633E-02 ppm1      8.223 ppm2      4.271 CV
 ASSI {   26}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.100     2.100     3.900 peak    26 spectrum    1 weight   .10000E+01 volume   .81640E-02 ppm1      8.224 ppm2      1.693 CV
 ASSI {   29}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.600      .800      .800 peak    29 spectrum    1 weight   .10000E+01 volume   .25403E-02 ppm1      8.156 ppm2      4.531 CV
 ASSI {   30}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
      2.500      .800      .800 peak    30 spectrum    1 weight   .10000E+01 volume   .28683E-02 ppm1      1.561 ppm2      4.155 CV
 ASSI {   31}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.300      .700      .700 peak    31 spectrum    1 weight   .10000E+01 volume   .48109E-02 ppm1       1.65 ppm2      4.156 CV
 ASSI {   32}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      2.600      .800      .800 peak    32 spectrum    1 weight   .10000E+01 volume   .28465E-02 ppm1      0.917 ppm2      4.157 CV
 ASSI {   33}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HA  ))
      2.400      .700      .700 peak    33 spectrum    1 weight   .10000E+01 volume   .37175E-02 ppm1      0.857 ppm2      4.156 CV
 ASSI {   34}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak    34 spectrum    1 weight   .10000E+01 volume   .16874E-02 ppm1      1.597 ppm2       4.16 CV
 ASSI {   35}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.300      .700      .700 peak    35 spectrum    1 weight   .10000E+01 volume   .54669E-02 ppm1      7.766 ppm2      4.151 CV
 ASSI {   36}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.500      .800      .800 peak    36 spectrum    1 weight   .10000E+01 volume   .33385E-02 ppm1      7.765 ppm2      1.564 CV
 ASSI {   37}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.200     2.200     3.800 peak    37 spectrum    1 weight   .10000E+01 volume   .61595E-02 ppm1      7.767 ppm2      1.662 CV
 ASSI {   39}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak    39 spectrum    1 weight   .10000E+01 volume   .16328E-02 ppm1      2.286 ppm2      4.128 CV
 ASSI {   40}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.400      .800      .800 peak    40 spectrum    1 weight   .10000E+01 volume   .36337E-02 ppm1      2.103 ppm2      4.127 CV
 ASSI {   41}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.800      .900      .900 peak    41 spectrum    1 weight   .10000E+01 volume   .18041E-02 ppm1      2.141 ppm2      4.131 CV
 ASSI {   43}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.500      .800      .800 peak    43 spectrum    1 weight   .10000E+01 volume   .33130E-02 ppm1      7.527 ppm2      4.127 CV
 ASSI {   44}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.300     2.300     3.700 peak    44 spectrum    1 weight   .10000E+01 volume   .48838E-02 ppm1      7.528 ppm2      2.288 CV
 ASSI {   45}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.600      .800      .800 peak    45 spectrum    1 weight   .10000E+01 volume   .28100E-02 ppm1      7.528 ppm2      2.107 CV
 ASSI {   46}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     1.100     1.100 peak    46 spectrum    1 weight   .10000E+01 volume   .12064E-02 ppm1       2.34 ppm2      3.919 CV
 ASSI {   50}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak    50 spectrum    1 weight   .10000E+01 volume   .92942E-03 ppm1      2.388 ppm2      4.004 CV
 ASSI {   51}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.700      .900      .900 peak    51 spectrum    1 weight   .10000E+01 volume   .20046E-02 ppm1      2.301 ppm2      3.998 CV
 ASSI {   53}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.300      .700      .700 peak    53 spectrum    1 weight   .10000E+01 volume   .47745E-02 ppm1      7.962 ppm2      2.129 CV
 ASSI {   54}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG3 ))
      2.700      .900      .900 peak    54 spectrum    1 weight   .10000E+01 volume   .19499E-02 ppm1      7.958 ppm2      2.379 CV
 ASSI {   55}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      2.700      .900      .900 peak    55 spectrum    1 weight   .10000E+01 volume   .20119E-02 ppm1      7.958 ppm2      2.301 CV
 ASSI {   57}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      2.500      .800      .800 peak    57 spectrum    1 weight   .10000E+01 volume   .32474E-02 ppm1      1.844 ppm2      3.999 CV
 ASSI {   59}
   (( segid "    " and resid 23   and name HE2 ))
   (( segid "    " and resid 23   and name HA  ))
      4.000     2.000     2.000 peak    59 spectrum    1 weight   .10000E+01 volume   .18150E-03 ppm1      2.849 ppm2      4.001 CV
 ASSI {   60}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HA  ))
      3.000     1.200     1.200 peak    60 spectrum    1 weight   .10000E+01 volume   .99501E-03 ppm1      1.619 ppm2      3.999 CV
 ASSI {   61}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HA  ))
      2.900     1.100     1.100 peak    61 spectrum    1 weight   .10000E+01 volume   .12392E-02 ppm1      1.552 ppm2      4.001 CV
 ASSI {   62}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.300      .700      .700 peak    62 spectrum    1 weight   .10000E+01 volume   .48474E-02 ppm1      8.083 ppm2      3.998 CV
 ASSI {   63}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HA  ))
      2.700      .900      .900 peak    63 spectrum    1 weight   .10000E+01 volume   .18150E-02 ppm1      2.945 ppm2      4.496 CV
 ASSI {   64}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
      2.800     1.000     1.000 peak    64 spectrum    1 weight   .10000E+01 volume   .16766E-02 ppm1      2.622 ppm2      4.498 CV
 ASSI {   65}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.600      .800      .800 peak    65 spectrum    1 weight   .10000E+01 volume   .28136E-02 ppm1      7.871 ppm2      4.498 CV
 ASSI {   66}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
      2.300     2.300     3.700 peak    66 spectrum    1 weight   .10000E+01 volume   .55763E-02 ppm1      7.869 ppm2      2.944 CV
 ASSI {   67}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.600      .900      .900 peak    67 spectrum    1 weight   .10000E+01 volume   .23508E-02 ppm1       7.87 ppm2       2.63 CV
 ASSI {   68}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.800     1.000     1.000 peak    68 spectrum    1 weight   .10000E+01 volume   .17349E-02 ppm1      1.931 ppm2      4.168 CV
 ASSI {   69}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
      2.500      .800      .800 peak    69 spectrum    1 weight   .10000E+01 volume   .29522E-02 ppm1      1.882 ppm2       4.17 CV
 ASSI {   70}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.500      .800      .800 peak    70 spectrum    1 weight   .10000E+01 volume   .32182E-02 ppm1      7.676 ppm2      4.166 CV
 ASSI {   71}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 26   and name HA  ))
      2.600      .900      .900 peak    71 spectrum    1 weight   .10000E+01 volume   .23289E-02 ppm1       4.04 ppm2      4.185 CV
 ASSI {   72}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      2.100      .600      .600 peak    72 spectrum    1 weight   .10000E+01 volume   .90022E-02 ppm1      1.219 ppm2      4.188 CV
 ASSI {   73}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.500      .800      .800 peak    73 spectrum    1 weight   .10000E+01 volume   .30542E-02 ppm1      7.925 ppm2      4.183 CV
 ASSI {   74}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      2.500     2.500     3.500 peak    74 spectrum    1 weight   .10000E+01 volume   .28902E-02 ppm1      7.926 ppm2      4.051 CV
 ASSI {   76}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak    76 spectrum    1 weight   .10000E+01 volume   .16110E-02 ppm1      1.361 ppm2      3.856 CV
 ASSI {   78}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HA  ))
      2.600      .900      .900 peak    78 spectrum    1 weight   .10000E+01 volume   .22779E-02 ppm1      0.744 ppm2      3.858 CV
 ASSI {   79}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 27   and name HA  ))
      2.200      .600      .600 peak    79 spectrum    1 weight   .10000E+01 volume   .77630E-02 ppm1      0.609 ppm2      3.858 CV
 OR {   79}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 27   and name HA  ))
 ASSI {   80}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.700      .900      .900 peak    80 spectrum    1 weight   .10000E+01 volume   .21758E-02 ppm1      8.029 ppm2      3.858 CV
 ASSI {   81}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.800     1.000     1.000 peak    81 spectrum    1 weight   .10000E+01 volume   .14688E-02 ppm1      6.563 ppm2      5.085 CV
 ASSI {   82}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 25   and name HE2 ))
      3.300     1.400     1.400 peak    82 spectrum    1 weight   .10000E+01 volume   .60866E-03 ppm1      6.563 ppm2      2.983 CV
 OR {   82}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 25   and name HE3 ))
 ASSI {   83}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.900     1.000     1.000 peak    83 spectrum    1 weight   .10000E+01 volume   .13267E-02 ppm1      6.564 ppm2      3.136 CV
 ASSI {   85}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak    85 spectrum    1 weight   .10000E+01 volume   .17057E-02 ppm1      1.763 ppm2      4.456 CV
 ASSI {   88}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700      .900      .900 peak    88 spectrum    1 weight   .10000E+01 volume   .22378E-02 ppm1      8.553 ppm2      4.455 CV
 ASSI {   90}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.600      .900      .900 peak    90 spectrum    1 weight   .10000E+01 volume   .23508E-02 ppm1      8.555 ppm2      1.773 CV
 ASSI {   91}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA2 ))
      2.600      .800      .800 peak    91 spectrum    1 weight   .10000E+01 volume   .27116E-02 ppm1      8.036 ppm2      4.283 CV
 ASSI {   92}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA1 ))
      2.300      .600      .600 peak    92 spectrum    1 weight   .10000E+01 volume   .59772E-02 ppm1       8.04 ppm2      3.672 CV
 ASSI {   94}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HA  ))
      2.500      .800      .800 peak    94 spectrum    1 weight   .10000E+01 volume   .32510E-02 ppm1      2.257 ppm2      4.011 CV
 OR {   94}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {   95}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.100     2.100     3.900 peak    95 spectrum    1 weight   .10000E+01 volume   .10278E-01 ppm1      8.393 ppm2      4.001 CV
 ASSI {   96}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.600      .900      .900 peak    96 spectrum    1 weight   .10000E+01 volume   .23981E-02 ppm1      8.395 ppm2       2.16 CV
 ASSI {   97}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
      2.400      .700      .700 peak    97 spectrum    1 weight   .10000E+01 volume   .40820E-02 ppm1      8.394 ppm2      2.259 CV
 OR {   97}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG3 ))
 ASSI {   98}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.000     1.000 peak    98 spectrum    1 weight   .10000E+01 volume   .13850E-02 ppm1       3.23 ppm2      5.458 CV
 ASSI {   99}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      2.700      .900      .900 peak    99 spectrum    1 weight   .10000E+01 volume   .18843E-02 ppm1      2.498 ppm2      5.457 CV
 ASSI {  100}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.700      .900      .900 peak   100 spectrum    1 weight   .10000E+01 volume   .20811E-02 ppm1      8.942 ppm2      5.456 CV
 ASSI {  101}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB3 ))
      2.600      .900      .900 peak   101 spectrum    1 weight   .10000E+01 volume   .23071E-02 ppm1      8.945 ppm2      3.238 CV
 ASSI {  103}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   103 spectrum    1 weight   .10000E+01 volume   .13194E-02 ppm1       2.98 ppm2      4.627 CV
 OR {  103}
   (( segid "    " and resid 25   and name HE2 ))
   (( segid "    " and resid 34   and name HA  ))
 ASSI {  105}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      1.700     1.700     4.300 peak   105 spectrum    1 weight   .10000E+01 volume   .31015E-01 ppm1      8.813 ppm2      4.633 CV
 ASSI {  106}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HA  ))
      2.800     1.000     1.000 peak   106 spectrum    1 weight   .10000E+01 volume   .17823E-02 ppm1      3.304 ppm2        5.1 CV
 ASSI {  107}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.800     1.000     1.000 peak   107 spectrum    1 weight   .10000E+01 volume   .15927E-02 ppm1       9.22 ppm2      5.103 CV
 ASSI {  108}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      2.500      .800      .800 peak   108 spectrum    1 weight   .10000E+01 volume   .31599E-02 ppm1       9.22 ppm2      3.311 CV
 ASSI {  109}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.700      .900      .900 peak   109 spectrum    1 weight   .10000E+01 volume   .22014E-02 ppm1       9.22 ppm2      2.461 CV
 ASSI {  110}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HA  ))
      2.600      .800      .800 peak   110 spectrum    1 weight   .10000E+01 volume   .25694E-02 ppm1       3.68 ppm2      4.927 CV
 ASSI {  111}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.600      .900      .900 peak   111 spectrum    1 weight   .10000E+01 volume   .23144E-02 ppm1      3.736 ppm2      4.926 CV
 ASSI {  112}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.100     1.100 peak   112 spectrum    1 weight   .10000E+01 volume   .13121E-02 ppm1      9.357 ppm2      4.929 CV
 ASSI {  113}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.800     1.000     1.000 peak   113 spectrum    1 weight   .10000E+01 volume   .14980E-02 ppm1      9.357 ppm2       3.69 CV
 ASSI {  114}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.700      .900      .900 peak   114 spectrum    1 weight   .10000E+01 volume   .22378E-02 ppm1      9.351 ppm2      3.742 CV
 ASSI {  115}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.700      .900      .900 peak   115 spectrum    1 weight   .10000E+01 volume   .18260E-02 ppm1      2.655 ppm2       5.17 CV
 ASSI {  116}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak   116 spectrum    1 weight   .10000E+01 volume   .17057E-02 ppm1      2.858 ppm2      5.167 CV
 ASSI {  117}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.700      .900      .900 peak   117 spectrum    1 weight   .10000E+01 volume   .19280E-02 ppm1      8.754 ppm2      5.167 CV
 ASSI {  118}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.400      .700      .700 peak   118 spectrum    1 weight   .10000E+01 volume   .44829E-02 ppm1      8.755 ppm2      2.666 CV
 ASSI {  119}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
      2.600      .900      .900 peak   119 spectrum    1 weight   .10000E+01 volume   .22670E-02 ppm1      8.753 ppm2      2.864 CV
 ASSI {  120}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.100     1.100 peak   120 spectrum    1 weight   .10000E+01 volume   .13011E-02 ppm1      4.013 ppm2      4.724 CV
 ASSI {  121}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      2.700      .900      .900 peak   121 spectrum    1 weight   .10000E+01 volume   .21576E-02 ppm1      3.761 ppm2      4.724 CV
 ASSI {  122}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   122 spectrum    1 weight   .10000E+01 volume   .17786E-02 ppm1      8.651 ppm2      4.718 CV
 ASSI {  124}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
      2.600      .800      .800 peak   124 spectrum    1 weight   .10000E+01 volume   .26169E-02 ppm1      2.209 ppm2      4.437 CV
 ASSI {  125}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.700      .900      .900 peak   125 spectrum    1 weight   .10000E+01 volume   .18260E-02 ppm1      1.939 ppm2      4.437 CV
 ASSI {  126}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HA  ))
      3.200     1.200     1.200 peak   126 spectrum    1 weight   .10000E+01 volume   .79818E-03 ppm1      2.531 ppm2      4.437 CV
 ASSI {  127}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 40   and name HA  ))
      3.100     1.200     1.200 peak   127 spectrum    1 weight   .10000E+01 volume   .95857E-03 ppm1       2.45 ppm2      4.437 CV
 ASSI {  129}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.000     1.100     1.100 peak   129 spectrum    1 weight   .10000E+01 volume   .10752E-02 ppm1      8.442 ppm2      2.217 CV
 ASSI {  131}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      2.400      .700      .700 peak   131 spectrum    1 weight   .10000E+01 volume   .43736E-02 ppm1       1.07 ppm2       5.35 CV
 ASSI {  132}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak   132 spectrum    1 weight   .10000E+01 volume   .10205E-02 ppm1      7.089 ppm2      5.349 CV
 ASSI {  133}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak   133 spectrum    1 weight   .10000E+01 volume   .10933E-02 ppm1       9.13 ppm2      5.693 CV
 ASSI {  134}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
      2.100      .600      .600 peak   134 spectrum    1 weight   .10000E+01 volume   .82369E-02 ppm1      3.711 ppm2      4.842 CV
 OR {  134}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  135}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.800     1.000     1.000 peak   135 spectrum    1 weight   .10000E+01 volume   .14724E-02 ppm1      8.659 ppm2      4.844 CV
 ASSI {  136}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      3.100     1.200     1.200 peak   136 spectrum    1 weight   .10000E+01 volume   .97315E-03 ppm1      8.646 ppm2      4.024 CV
 ASSI {  137}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB3 ))
      2.800     1.000     1.000 peak   137 spectrum    1 weight   .10000E+01 volume   .14688E-02 ppm1       8.66 ppm2      3.719 CV
 OR {  137}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI {  138}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.900     1.100     1.100 peak   138 spectrum    1 weight   .10000E+01 volume   .12028E-02 ppm1      8.532 ppm2      5.432 CV
 ASSI {  139}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.900     1.100     1.100 peak   139 spectrum    1 weight   .10000E+01 volume   .12282E-02 ppm1      8.522 ppm2      2.672 CV
 ASSI {  141}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.700      .900      .900 peak   141 spectrum    1 weight   .10000E+01 volume   .20811E-02 ppm1      2.477 ppm2       5.07 CV
 ASSI {  142}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.000     1.000 peak   142 spectrum    1 weight   .10000E+01 volume   .14433E-02 ppm1       2.62 ppm2       5.07 CV
 ASSI {  143}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.800     1.000     1.000 peak   143 spectrum    1 weight   .10000E+01 volume   .16037E-02 ppm1      8.957 ppm2      5.078 CV
 ASSI {  145}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      2.600      .800      .800 peak   145 spectrum    1 weight   .10000E+01 volume   .25003E-02 ppm1      8.956 ppm2      2.627 CV
 ASSI {  146}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.300      .700      .700 peak   146 spectrum    1 weight   .10000E+01 volume   .50296E-02 ppm1       2.22 ppm2      3.919 CV
 ASSI {  148}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.300      .700      .700 peak   148 spectrum    1 weight   .10000E+01 volume   .48838E-02 ppm1      7.958 ppm2      3.998 CV
 ASSI {  149}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800      .900      .900 peak   149 spectrum    1 weight   .10000E+01 volume   .18041E-02 ppm1      0.607 ppm2      3.859 CV
 ASSI {  151}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
      2.700      .900      .900 peak   151 spectrum    1 weight   .10000E+01 volume   .18187E-02 ppm1      3.127 ppm2      5.084 CV
 ASSI {  153}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 28   and name HB3 ))
      2.200      .600      .600 peak   153 spectrum    1 weight   .10000E+01 volume   .71071E-02 ppm1      7.195 ppm2      3.137 CV
 ASSI {  154}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 28   and name HB3 ))
      3.400     1.400     1.400 peak   154 spectrum    1 weight   .10000E+01 volume   .53576E-03 ppm1      6.694 ppm2      3.138 CV
 ASSI {  155}
   (  segid "    " and resid 28   and name HE% )
   (  segid "    " and resid 28   and name HD% )
      2.000      .500      .500 peak   155 spectrum    1 weight   .10000E+01 volume   .11553E-01 ppm1      6.696 ppm2      7.207 CV
 ASSI {  157}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.500      .800      .800 peak   157 spectrum    1 weight   .10000E+01 volume   .34479E-02 ppm1      8.357 ppm2      3.921 CV
 ASSI {  158}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.700      .900      .900 peak   158 spectrum    1 weight   .10000E+01 volume   .19535E-02 ppm1      8.854 ppm2      8.964 CV
 ASSI {  159}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.200      .600      .600 peak   159 spectrum    1 weight   .10000E+01 volume   .74715E-02 ppm1      8.847 ppm2      5.455 CV
 ASSI {  160}
   (  segid "    " and resid 10   and name HD% )
   (( segid "    " and resid 10   and name HA  ))
      2.700      .900      .900 peak   160 spectrum    1 weight   .10000E+01 volume   .21431E-02 ppm1       7.23 ppm2      4.685 CV
 ASSI {  161}
   (  segid "    " and resid 10   and name HD% )
   (( segid "    " and resid 10   and name HB3 ))
      2.600      .800      .800 peak   161 spectrum    1 weight   .10000E+01 volume   .28027E-02 ppm1      7.233 ppm2      3.183 CV
 ASSI {  162}
   (  segid "    " and resid 10   and name HD% )
   (( segid "    " and resid 10   and name HB2 ))
      2.600      .800      .800 peak   162 spectrum    1 weight   .10000E+01 volume   .25111E-02 ppm1      7.231 ppm2      2.884 CV
 ASSI {  163}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.600      .800      .800 peak   163 spectrum    1 weight   .10000E+01 volume   .27262E-02 ppm1      7.944 ppm2      2.884 CV
 ASSI {  164}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA2 ))
      2.400      .700      .700 peak   164 spectrum    1 weight   .10000E+01 volume   .36811E-02 ppm1      8.286 ppm2      3.665 CV
 ASSI {  165}
   (( segid "    " and resid 12   and name HG3 ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   165 spectrum    1 weight   .10000E+01 volume   .87472E-03 ppm1      0.506 ppm2       4.48 CV
 ASSI {  167}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.600      .900      .900 peak   167 spectrum    1 weight   .10000E+01 volume   .23217E-02 ppm1      1.565 ppm2      4.484 CV
 ASSI {  168}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   168 spectrum    1 weight   .10000E+01 volume   .91845E-03 ppm1      1.617 ppm2      4.486 CV
 ASSI {  169}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.700      .900      .900 peak   169 spectrum    1 weight   .10000E+01 volume   .19754E-02 ppm1      1.319 ppm2      4.486 CV
 OR {  169}
   (( segid "    " and resid 12   and name HD3 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  173}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HA  ))
      3.300     1.400     1.400 peak   173 spectrum    1 weight   .10000E+01 volume   .55763E-03 ppm1      3.094 ppm2      4.357 CV
 OR {  173}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  175}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.500     2.500     3.500 peak   175 spectrum    1 weight   .10000E+01 volume   .30615E-02 ppm1      7.822 ppm2      7.986 CV
 ASSI {  176}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.600      .900      .900 peak   176 spectrum    1 weight   .10000E+01 volume   .23180E-02 ppm1      7.974 ppm2      4.303 CV
 ASSI {  177}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700      .900      .900 peak   177 spectrum    1 weight   .10000E+01 volume   .21431E-02 ppm1      7.821 ppm2      4.573 CV
 ASSI {  178}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      2.700      .900      .900 peak   178 spectrum    1 weight   .10000E+01 volume   .18697E-02 ppm1       7.82 ppm2      3.811 CV
 ASSI {  179}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.800     1.000     1.000 peak   179 spectrum    1 weight   .10000E+01 volume   .15891E-02 ppm1      7.823 ppm2      3.664 CV
 ASSI {  180}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.900     2.900     3.100 peak   180 spectrum    1 weight   .10000E+01 volume   .12683E-02 ppm1      7.822 ppm2      3.276 CV
 OR {  180}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI {  181}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.200     1.300     1.300 peak   181 spectrum    1 weight   .10000E+01 volume   .68884E-03 ppm1      9.023 ppm2      3.277 CV
 OR {  181}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI {  184}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.700      .900      .900 peak   184 spectrum    1 weight   .10000E+01 volume   .19207E-02 ppm1      8.626 ppm2      4.859 CV
 ASSI {  185}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.900     1.100     1.100 peak   185 spectrum    1 weight   .10000E+01 volume   .11991E-02 ppm1      8.625 ppm2      3.154 CV
 ASSI {  186}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      2.800     1.000     1.000 peak   186 spectrum    1 weight   .10000E+01 volume   .17349E-02 ppm1      8.625 ppm2      2.977 CV
 ASSI {  187}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
      2.500      .800      .800 peak   187 spectrum    1 weight   .10000E+01 volume   .32000E-02 ppm1      1.882 ppm2       4.53 CV
 ASSI {  188}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.700      .900      .900 peak   188 spectrum    1 weight   .10000E+01 volume   .20373E-02 ppm1      1.684 ppm2      4.528 CV
 ASSI {  190}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HE3 ))
      2.300      .700      .700 peak   190 spectrum    1 weight   .10000E+01 volume   .49567E-02 ppm1      1.645 ppm2      2.991 CV
 OR {  190}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 15   and name HE3 ))
 ASSI {  191}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HE3 ))
      3.100     1.200     1.200 peak   191 spectrum    1 weight   .10000E+01 volume   .83098E-03 ppm1      1.644 ppm2      2.973 CV
 OR {  191}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 15   and name HE2 ))
 OR {  191}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HE2 ))
 OR {  191}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 15   and name HE3 ))
 ASSI {  192}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   192 spectrum    1 weight   .10000E+01 volume   .17349E-02 ppm1      1.404 ppm2      4.529 CV
 OR {  192}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  194}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.400      .700      .700 peak   194 spectrum    1 weight   .10000E+01 volume   .37175E-02 ppm1      3.337 ppm2      5.691 CV
 ASSI {  195}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500      .800      .800 peak   195 spectrum    1 weight   .10000E+01 volume   .33239E-02 ppm1      3.394 ppm2      5.691 CV
 ASSI {  196}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HD2 ))
      2.900     1.000     1.000 peak   196 spectrum    1 weight   .10000E+01 volume   .13814E-02 ppm1      3.336 ppm2      7.047 CV
 ASSI {  199}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HN  ))
      2.700      .900      .900 peak   199 spectrum    1 weight   .10000E+01 volume   .19826E-02 ppm1       3.34 ppm2      8.666 CV
 ASSI {  200}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HE1 ))
      3.500     1.600     1.600 peak   200 spectrum    1 weight   .10000E+01 volume   .40820E-03 ppm1      3.337 ppm2     10.045 CV
 ASSI {  201}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak   201 spectrum    1 weight   .10000E+01 volume   .17421E-02 ppm1      1.424 ppm2      4.002 CV
 ASSI {  203}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.300      .600      .600 peak   203 spectrum    1 weight   .10000E+01 volume   .57950E-02 ppm1      8.082 ppm2      1.929 CV
 ASSI {  204}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.600      .800      .800 peak   204 spectrum    1 weight   .10000E+01 volume   .27845E-02 ppm1      8.084 ppm2      1.851 CV
 ASSI {  205}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG3 ))
      3.100     1.200     1.200 peak   205 spectrum    1 weight   .10000E+01 volume   .85649E-03 ppm1      8.085 ppm2      1.623 CV
 ASSI {  207}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.400     2.400     3.600 peak   207 spectrum    1 weight   .10000E+01 volume   .43371E-02 ppm1      7.675 ppm2      1.938 CV
 ASSI {  208}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      2.700      .900      .900 peak   208 spectrum    1 weight   .10000E+01 volume   .21467E-02 ppm1      7.677 ppm2      1.893 CV
 ASSI {  209}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HA  ))
      3.400     1.500     1.500 peak   209 spectrum    1 weight   .10000E+01 volume   .47381E-03 ppm1      1.697 ppm2      4.163 CV
 ASSI {  210}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HA  ))
      3.000     1.100     1.100 peak   210 spectrum    1 weight   .10000E+01 volume   .11517E-02 ppm1      1.507 ppm2      4.167 CV
 ASSI {  211}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HD2 ))
      3.300     1.400     1.400 peak   211 spectrum    1 weight   .10000E+01 volume   .57221E-03 ppm1      7.675 ppm2      1.692 CV
 ASSI {  212}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
      3.000     1.100     1.100 peak   212 spectrum    1 weight   .10000E+01 volume   .10423E-02 ppm1      7.676 ppm2      1.524 CV
 OR {  212}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
 ASSI {  213}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 28   and name HA  ))
      2.500      .800      .800 peak   213 spectrum    1 weight   .10000E+01 volume   .35499E-02 ppm1      3.481 ppm2      5.086 CV
 ASSI {  214}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 28   and name HA  ))
      2.300      .700      .700 peak   214 spectrum    1 weight   .10000E+01 volume   .50660E-02 ppm1      3.642 ppm2      5.086 CV
 ASSI {  216}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 29   and name HD2 ))
      2.700      .900      .900 peak   216 spectrum    1 weight   .10000E+01 volume   .18660E-02 ppm1      1.972 ppm2      3.491 CV
 ASSI {  217}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 29   and name HD2 ))
      2.500      .800      .800 peak   217 spectrum    1 weight   .10000E+01 volume   .32911E-02 ppm1      2.031 ppm2      3.492 CV
 ASSI {  218}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HD2 ))
      2.900     1.000     1.000 peak   218 spectrum    1 weight   .10000E+01 volume   .13959E-02 ppm1      2.379 ppm2      3.492 CV
 ASSI {  219}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 29   and name HD3 ))
      2.600      .800      .800 peak   219 spectrum    1 weight   .10000E+01 volume   .27444E-02 ppm1      2.026 ppm2      3.651 CV
 ASSI {  221}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 29   and name HD3 ))
      2.700      .900      .900 peak   221 spectrum    1 weight   .10000E+01 volume   .20993E-02 ppm1      1.974 ppm2      3.654 CV
 ASSI {  222}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HD3 ))
      3.200     1.300     1.300 peak   222 spectrum    1 weight   .10000E+01 volume   .75080E-03 ppm1      2.378 ppm2      3.662 CV
 ASSI {  223}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB  ))
      2.400      .700      .700 peak   223 spectrum    1 weight   .10000E+01 volume   .37905E-02 ppm1      6.646 ppm2      3.547 CV
 ASSI {  224}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.200     2.200     3.800 peak   224 spectrum    1 weight   .10000E+01 volume   .75080E-02 ppm1       8.05 ppm2      4.327 CV
 ASSI {  227}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.600      .900      .900 peak   227 spectrum    1 weight   .10000E+01 volume   .22779E-02 ppm1      2.453 ppm2      5.104 CV
 ASSI {  228}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.700      .900      .900 peak   228 spectrum    1 weight   .10000E+01 volume   .19826E-02 ppm1       8.65 ppm2       3.77 CV
 ASSI {  229}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.100     1.100 peak   229 spectrum    1 weight   .10000E+01 volume   .10606E-02 ppm1      2.946 ppm2      5.431 CV
 ASSI {  230}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak   230 spectrum    1 weight   .10000E+01 volume   .15818E-02 ppm1      2.659 ppm2      5.432 CV
 ASSI {  231}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.500      .800      .800 peak   231 spectrum    1 weight   .10000E+01 volume   .32729E-02 ppm1      7.976 ppm2      1.806 CV
 ASSI {  232}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
      2.800     1.000     1.000 peak   232 spectrum    1 weight   .10000E+01 volume   .17057E-02 ppm1      7.975 ppm2      1.917 CV
 ASSI {  233}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
      2.400      .700      .700 peak   233 spectrum    1 weight   .10000E+01 volume   .37175E-02 ppm1      1.917 ppm2      4.304 CV
 ASSI {  234}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      2.600      .900      .900 peak   234 spectrum    1 weight   .10000E+01 volume   .23544E-02 ppm1      1.803 ppm2      4.304 CV
 ASSI {  235}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
      2.900     1.100     1.100 peak   235 spectrum    1 weight   .10000E+01 volume   .12938E-02 ppm1      1.469 ppm2        4.3 CV
 ASSI {  236}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak   236 spectrum    1 weight   .10000E+01 volume   .17276E-02 ppm1      1.437 ppm2        4.3 CV
 ASSI {  237}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak   237 spectrum    1 weight   .10000E+01 volume   .17203E-02 ppm1      3.271 ppm2      5.073 CV
 OR {  237}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  238}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
      2.600      .800      .800 peak   238 spectrum    1 weight   .10000E+01 volume   .25804E-02 ppm1       3.81 ppm2      4.575 CV
 ASSI {  239}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.500      .800      .800 peak   239 spectrum    1 weight   .10000E+01 volume   .32984E-02 ppm1      3.645 ppm2      4.574 CV
 ASSI {  240}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.500      .800      .800 peak   240 spectrum    1 weight   .10000E+01 volume   .30688E-02 ppm1      3.147 ppm2      4.861 CV
 ASSI {  241}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
      2.500      .800      .800 peak   241 spectrum    1 weight   .10000E+01 volume   .31563E-02 ppm1       2.97 ppm2      4.862 CV
 ASSI {  242}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      2.900     1.000     1.000 peak   242 spectrum    1 weight   .10000E+01 volume   .14505E-02 ppm1      8.556 ppm2      1.611 CV
 ASSI {  243}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.400      .700      .700 peak   243 spectrum    1 weight   .10000E+01 volume   .45558E-02 ppm1      8.037 ppm2      4.455 CV
 ASSI {  246}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     2.700     3.300 peak   246 spectrum    1 weight   .10000E+01 volume   .21431E-02 ppm1      8.039 ppm2      8.565 CV
 ASSI {  247}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400      .700      .700 peak   247 spectrum    1 weight   .10000E+01 volume   .39727E-02 ppm1       8.04 ppm2      8.402 CV
 ASSI {  248}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.600      .800      .800 peak   248 spectrum    1 weight   .10000E+01 volume   .25294E-02 ppm1      8.031 ppm2      6.572 CV
 ASSI {  250}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.500      .800      .800 peak   250 spectrum    1 weight   .10000E+01 volume   .35462E-02 ppm1      8.183 ppm2      5.348 CV
 ASSI {  251}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.600      .900      .900 peak   251 spectrum    1 weight   .10000E+01 volume   .24091E-02 ppm1      7.082 ppm2      4.451 CV
 ASSI {  252}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      2.900     1.000     1.000 peak   252 spectrum    1 weight   .10000E+01 volume   .13850E-02 ppm1      7.086 ppm2      1.077 CV
 ASSI {  256}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      2.300     2.300     3.700 peak   256 spectrum    1 weight   .10000E+01 volume   .47745E-02 ppm1      4.126 ppm2      1.292 CV
 ASSI {  257}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.200     1.300     1.300 peak   257 spectrum    1 weight   .10000E+01 volume   .72164E-03 ppm1      8.459 ppm2      3.164 CV
 ASSI {  258}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      2.800     1.000     1.000 peak   258 spectrum    1 weight   .10000E+01 volume   .15453E-02 ppm1      8.455 ppm2       2.65 CV
 ASSI {  259}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak   259 spectrum    1 weight   .10000E+01 volume   .15198E-02 ppm1      8.459 ppm2      7.095 CV
 ASSI {  260}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      2.700      .900      .900 peak   260 spectrum    1 weight   .10000E+01 volume   .18150E-02 ppm1      3.158 ppm2      4.453 CV
 ASSI {  263}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.200      .600      .600 peak   263 spectrum    1 weight   .10000E+01 volume   .61959E-02 ppm1      7.528 ppm2      8.365 CV
 ASSI {  266}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.300      .700      .700 peak   266 spectrum    1 weight   .10000E+01 volume   .55763E-02 ppm1      8.648 ppm2      5.168 CV
 ASSI {  267}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.200      .600      .600 peak   267 spectrum    1 weight   .10000E+01 volume   .68884E-02 ppm1      8.286 ppm2      4.404 CV
 ASSI {  268}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.800     1.000     1.000 peak   268 spectrum    1 weight   .10000E+01 volume   .16364E-02 ppm1       8.25 ppm2       1.29 CV
 OR {  268}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
 ASSI {  269}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
      3.200     1.200     1.200 peak   269 spectrum    1 weight   .10000E+01 volume   .79089E-03 ppm1      8.254 ppm2      1.209 CV
 ASSI {  271}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.700      .900      .900 peak   271 spectrum    1 weight   .10000E+01 volume   .19535E-02 ppm1      1.191 ppm2      4.407 CV
 ASSI {  272}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HA  ))
      2.600      .900      .900 peak   272 spectrum    1 weight   .10000E+01 volume   .23217E-02 ppm1      1.282 ppm2      4.407 CV
 OR {  272}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  273}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 8    and name HA  ))
      4.000     2.000     2.000 peak   273 spectrum    1 weight   .10000E+01 volume   .19135E-03 ppm1      1.111 ppm2      4.409 CV
 ASSI {  274}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HD2 ))
      3.500     1.500     1.500 peak   274 spectrum    1 weight   .10000E+01 volume   .44100E-03 ppm1      8.253 ppm2      2.775 CV
 ASSI {  276}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.000      .500      .500 peak   276 spectrum    1 weight   .10000E+01 volume   .10933E-01 ppm1      8.182 ppm2      4.271 CV
 ASSI {  277}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.500     1.500     1.500 peak   277 spectrum    1 weight   .10000E+01 volume   .44829E-03 ppm1      8.027 ppm2      7.687 CV
 ASSI {  280}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      3.100     1.200     1.200 peak   280 spectrum    1 weight   .10000E+01 volume   .86378E-03 ppm1       8.03 ppm2      4.049 CV
 ASSI {  282}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500      .800      .800 peak   282 spectrum    1 weight   .10000E+01 volume   .32110E-02 ppm1      7.925 ppm2      7.684 CV
 ASSI {  283}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.500      .800      .800 peak   283 spectrum    1 weight   .10000E+01 volume   .29849E-02 ppm1      7.926 ppm2      8.038 CV
 ASSI {  284}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   284 spectrum    1 weight   .10000E+01 volume   .16693E-02 ppm1      7.925 ppm2      3.997 CV
 ASSI {  285}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   285 spectrum    1 weight   .10000E+01 volume   .17421E-02 ppm1      7.676 ppm2      3.998 CV
 ASSI {  286}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   286 spectrum    1 weight   .10000E+01 volume   .87836E-03 ppm1      7.677 ppm2        4.5 CV
 ASSI {  287}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
      2.700      .900      .900 peak   287 spectrum    1 weight   .10000E+01 volume   .20811E-02 ppm1      7.675 ppm2      2.943 CV
 ASSI {  288}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.000     1.100     1.100 peak   288 spectrum    1 weight   .10000E+01 volume   .10861E-02 ppm1      7.675 ppm2      2.625 CV
 ASSI {  290}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.400      .700      .700 peak   290 spectrum    1 weight   .10000E+01 volume   .37175E-02 ppm1      7.676 ppm2      7.878 CV
 ASSI {  291}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.300      .700      .700 peak   291 spectrum    1 weight   .10000E+01 volume   .47016E-02 ppm1       7.87 ppm2      8.091 CV
 ASSI {  293}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak   293 spectrum    1 weight   .10000E+01 volume   .86378E-03 ppm1      7.871 ppm2      4.125 CV
 ASSI {  294}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     1.100     1.100 peak   294 spectrum    1 weight   .10000E+01 volume   .11918E-02 ppm1      7.868 ppm2      3.921 CV
 ASSI {  295}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.700      .900      .900 peak   295 spectrum    1 weight   .10000E+01 volume   .22597E-02 ppm1      8.085 ppm2      4.129 CV
 ASSI {  297}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.300      .700      .700 peak   297 spectrum    1 weight   .10000E+01 volume   .50296E-02 ppm1      8.083 ppm2      7.965 CV
 ASSI {  299}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.700      .900      .900 peak   299 spectrum    1 weight   .10000E+01 volume   .18770E-02 ppm1      7.958 ppm2      4.158 CV
 ASSI {  300}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400      .700      .700 peak   300 spectrum    1 weight   .10000E+01 volume   .40091E-02 ppm1      7.958 ppm2      8.366 CV
 ASSI {  302}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     1.100     1.100 peak   302 spectrum    1 weight   .10000E+01 volume   .11590E-02 ppm1      8.358 ppm2      4.125 CV
 ASSI {  306}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.400      .700      .700 peak   306 spectrum    1 weight   .10000E+01 volume   .42278E-02 ppm1      7.766 ppm2      7.535 CV
 ASSI {  308}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.100      .500      .500 peak   308 spectrum    1 weight   .10000E+01 volume   .99132E-02 ppm1      8.368 ppm2      4.355 CV
 ASSI {  309}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.100      .500      .500 peak   309 spectrum    1 weight   .10000E+01 volume   .96586E-02 ppm1      8.754 ppm2      4.928 CV
 ASSI {  310}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   310 spectrum    1 weight   .10000E+01 volume   .15125E-02 ppm1      5.339 ppm2      4.273 CV
 ASSI {  311}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
      2.300      .700      .700 peak   311 spectrum    1 weight   .10000E+01 volume   .48474E-02 ppm1      1.068 ppm2      4.271 CV
 ASSI {  312}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB  ))
      2.700      .900      .900 peak   312 spectrum    1 weight   .10000E+01 volume   .18879E-02 ppm1       5.34 ppm2      4.085 CV
 ASSI {  313}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG  ))
      2.300      .700      .700 peak   313 spectrum    1 weight   .10000E+01 volume   .48109E-02 ppm1      8.226 ppm2      1.744 CV
 ASSI {  314}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HD1%)
      3.200     1.300     1.300 peak   314 spectrum    1 weight   .10000E+01 volume   .71799E-03 ppm1       8.22 ppm2      0.904 CV
 ASSI {  315}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HD2%)
      3.100     1.200     1.200 peak   315 spectrum    1 weight   .10000E+01 volume   .97315E-03 ppm1       8.22 ppm2      0.961 CV
 ASSI {  316}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG3 ))
      3.200     1.300     1.300 peak   316 spectrum    1 weight   .10000E+01 volume   .76537E-03 ppm1      8.221 ppm2      0.523 CV
 OR {  316}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  318}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.700     2.700     3.300 peak   318 spectrum    1 weight   .10000E+01 volume   .21504E-02 ppm1      8.373 ppm2      0.531 CV
 ASSI {  319}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.000      .500      .500 peak   319 spectrum    1 weight   .10000E+01 volume   .13302E-01 ppm1      8.224 ppm2      4.483 CV
 ASSI {  320}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA1 ))
      2.900     1.000     1.000 peak   320 spectrum    1 weight   .10000E+01 volume   .14105E-02 ppm1      8.394 ppm2      3.673 CV
 ASSI {  321}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA2 ))
      2.800     1.000     1.000 peak   321 spectrum    1 weight   .10000E+01 volume   .16437E-02 ppm1      8.393 ppm2      4.285 CV
 ASSI {  323}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.600      .800      .800 peak   323 spectrum    1 weight   .10000E+01 volume   .25767E-02 ppm1      8.394 ppm2      8.955 CV
 ASSI {  325}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     2.900     3.100 peak   325 spectrum    1 weight   .10000E+01 volume   .14542E-02 ppm1      8.849 ppm2      5.077 CV
 ASSI {  326}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.400     1.400     1.400 peak   326 spectrum    1 weight   .10000E+01 volume   .51390E-03 ppm1      9.218 ppm2      8.854 CV
 ASSI {  327}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.200      .600      .600 peak   327 spectrum    1 weight   .10000E+01 volume   .67426E-02 ppm1      9.352 ppm2      5.099 CV
 ASSI {  328}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.500     1.500     1.500 peak   328 spectrum    1 weight   .10000E+01 volume   .42278E-03 ppm1      9.356 ppm2      5.434 CV
 ASSI {  329}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.800     1.000     1.000 peak   329 spectrum    1 weight   .10000E+01 volume   .17093E-02 ppm1      9.352 ppm2      8.672 CV
 ASSI {  331}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.500      .800      .800 peak   331 spectrum    1 weight   .10000E+01 volume   .30761E-02 ppm1      9.128 ppm2      5.347 CV
 ASSI {  332}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.000     1.000 peak   332 spectrum    1 weight   .10000E+01 volume   .14505E-02 ppm1      9.131 ppm2       8.38 CV
 ASSI {  333}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.200      .600      .600 peak   333 spectrum    1 weight   .10000E+01 volume   .60501E-02 ppm1      8.657 ppm2      5.691 CV
 ASSI {  335}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      2.300      .700      .700 peak   335 spectrum    1 weight   .10000E+01 volume   .53941E-02 ppm1      8.522 ppm2      3.719 CV
 ASSI {  338}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD% )
      3.100     1.200     1.200 peak   338 spectrum    1 weight   .10000E+01 volume   .95857E-03 ppm1      7.944 ppm2       7.24 CV
 ASSI {  341}
   (  segid "    " and resid 27   and name HD2%)
   (  segid "    " and resid 28   and name HE% )
      3.200     1.300     1.300 peak   341 spectrum    1 weight   .10000E+01 volume   .70706E-03 ppm1      0.607 ppm2      6.703 CV
 OR {  341}
   (( segid "    " and resid 27   and name HG  ))
   (  segid "    " and resid 28   and name HE% )
 ASSI {  344}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   344 spectrum    1 weight   .10000E+01 volume   .14834E-02 ppm1       9.22 ppm2      3.922 CV
 ASSI {  345}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA1 ))
      2.500      .800      .800 peak   345 spectrum    1 weight   .10000E+01 volume   .30251E-02 ppm1      7.942 ppm2      4.075 CV
 ASSI {  346}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA2 ))
      2.600      .800      .800 peak   346 spectrum    1 weight   .10000E+01 volume   .28246E-02 ppm1      7.944 ppm2      3.664 CV
 ASSI {  347}
   (  segid "    " and resid 10   and name HD% )
   (( segid "    " and resid 12   and name HD3 ))
      3.100     1.200     1.200 peak   347 spectrum    1 weight   .10000E+01 volume   .82369E-03 ppm1      7.232 ppm2      1.336 CV
 OR {  347}
   (  segid "    " and resid 10   and name HD% )
   (( segid "    " and resid 12   and name HD2 ))
 ASSI {  348}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 29   and name HD3 ))
      2.900     2.900     3.100 peak   348 spectrum    1 weight   .10000E+01 volume   .12209E-02 ppm1      7.201 ppm2      3.658 CV
 ASSI {  349}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 29   and name HD2 ))
      3.200     1.300     1.300 peak   349 spectrum    1 weight   .10000E+01 volume   .68884E-03 ppm1      7.194 ppm2      3.494 CV
 ASSI {  350}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 24   and name HA  ))
      2.600      .900      .900 peak   350 spectrum    1 weight   .10000E+01 volume   .23253E-02 ppm1      7.201 ppm2      4.497 CV
 ASSI {  351}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 28   and name HA  ))
      2.300      .700      .700 peak   351 spectrum    1 weight   .10000E+01 volume   .54669E-02 ppm1      7.201 ppm2      5.085 CV
 ASSI {  352}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.000     1.000 peak   352 spectrum    1 weight   .10000E+01 volume   .15600E-02 ppm1      7.193 ppm2      6.571 CV
 ASSI {  353}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 33   and name HB2 ))
      3.300     1.300     1.300 peak   353 spectrum    1 weight   .10000E+01 volume   .62688E-03 ppm1      7.191 ppm2      2.499 CV
 ASSI {  354}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 33   and name HB3 ))
      3.200     1.300     1.300 peak   354 spectrum    1 weight   .10000E+01 volume   .76173E-03 ppm1        7.2 ppm2      3.237 CV
 ASSI {  356}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 8    and name HB2 ))
      3.200     3.200     2.800 peak   356 spectrum    1 weight   .10000E+01 volume   .69249E-03 ppm1      7.192 ppm2      1.292 CV
 OR {  356}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 8    and name HB3 ))
 ASSI {  357}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 27   and name HD1%)
      3.200     1.300     1.300 peak   357 spectrum    1 weight   .10000E+01 volume   .75444E-03 ppm1        7.2 ppm2      0.749 CV
 ASSI {  358}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 27   and name HD2%)
      3.300     1.400     1.400 peak   358 spectrum    1 weight   .10000E+01 volume   .59407E-03 ppm1      7.196 ppm2      0.608 CV
 ASSI {  359}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 27   and name HG  ))
      3.400     1.400     1.400 peak   359 spectrum    1 weight   .10000E+01 volume   .53576E-03 ppm1      7.197 ppm2      0.608 CV
 ASSI {  360}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      2.400      .700      .700 peak   360 spectrum    1 weight   .10000E+01 volume   .40820E-02 ppm1      9.131 ppm2      4.085 CV
 ASSI {  363}
   (( segid "    " and resid 11   and name HD3 ))
   (  segid "    " and resid 42   and name HG2%)
      2.900     2.900     3.100 peak   363 spectrum    1 weight   .10000E+01 volume   .13922E-02 ppm1      3.094 ppm2      1.078 CV
 OR {  363}
   (( segid "    " and resid 11   and name HD2 ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI {  364}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG  ))
      3.000     1.100     1.100 peak   364 spectrum    1 weight   .10000E+01 volume   .10715E-02 ppm1       8.03 ppm2      0.605 CV
 ASSI {  365}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HD2%)
      3.000     1.200     1.200 peak   365 spectrum    1 weight   .10000E+01 volume   .99501E-03 ppm1       8.03 ppm2      0.709 CV
 ASSI {  366}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 44   and name HB2 ))
      2.300      .700      .700 peak   366 spectrum    1 weight   .10000E+01 volume   .50660E-02 ppm1      1.106 ppm2      3.717 CV
 OR {  366}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 44   and name HB3 ))
 ASSI {  367}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak   367 spectrum    1 weight   .10000E+01 volume   .11736E-02 ppm1      1.098 ppm2      5.067 CV
 ASSI {  368}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 8    and name HD3 ))
      3.100     1.200     1.200 peak   368 spectrum    1 weight   .10000E+01 volume   .80546E-03 ppm1      6.691 ppm2      2.735 CV
 ASSI {  369}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 8    and name HD2 ))
      3.200     1.300     1.300 peak   369 spectrum    1 weight   .10000E+01 volume   .69977E-03 ppm1      6.691 ppm2       2.79 CV
 ASSI {  370}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   370 spectrum    1 weight   .10000E+01 volume   .82369E-03 ppm1      6.692 ppm2      4.501 CV
 ASSI {  372}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.100     3.100     2.900 peak   372 spectrum    1 weight   .10000E+01 volume   .85649E-03 ppm1      9.218 ppm2      2.227 CV
 OR {  372}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {  373}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak   373 spectrum    1 weight   .10000E+01 volume   .91845E-03 ppm1      8.754 ppm2       3.74 CV
 ASSI {  374}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      3.000     3.000     3.000 peak   374 spectrum    1 weight   .10000E+01 volume   .11372E-02 ppm1      8.755 ppm2      3.691 CV
 ASSI {  375}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 27   and name HN  ))
      3.100     1.200     1.200 peak   375 spectrum    1 weight   .10000E+01 volume   .91116E-03 ppm1      7.191 ppm2       8.04 CV
 ASSI {  376}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 8    and name HD2 ))
      3.500     1.500     1.500 peak   376 spectrum    1 weight   .10000E+01 volume   .44100E-03 ppm1      7.196 ppm2      2.785 CV
 ASSI {  377}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 8    and name HD3 ))
      3.600     1.600     1.600 peak   377 spectrum    1 weight   .10000E+01 volume   .37539E-03 ppm1      7.193 ppm2      2.728 CV
 ASSI {  378}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 20   and name HB3 ))
      2.900     1.100     1.100 peak   378 spectrum    1 weight   .10000E+01 volume   .12865E-02 ppm1      7.038 ppm2       2.11 CV
 ASSI {  379}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.700      .900      .900 peak   379 spectrum    1 weight   .10000E+01 volume   .19826E-02 ppm1      8.155 ppm2      1.889 CV
 ASSI {  380}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.400      .700      .700 peak   380 spectrum    1 weight   .10000E+01 volume   .43371E-02 ppm1      8.157 ppm2      1.697 CV
 ASSI {  381}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      2.900     1.000     1.000 peak   381 spectrum    1 weight   .10000E+01 volume   .14068E-02 ppm1      8.184 ppm2      1.075 CV
 ASSI {  383}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HD1%)
      3.100     3.100     2.900 peak   383 spectrum    1 weight   .10000E+01 volume   .84191E-03 ppm1      8.185 ppm2       0.91 CV
 ASSI {  385}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      2.900     1.100     1.100 peak   385 spectrum    1 weight   .10000E+01 volume   .12719E-02 ppm1      7.766 ppm2      1.291 CV
 ASSI {  386}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      3.000     1.100     1.100 peak   386 spectrum    1 weight   .10000E+01 volume   .11626E-02 ppm1      7.765 ppm2       4.01 CV
 ASSI {  387}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      3.100     1.200     1.200 peak   387 spectrum    1 weight   .10000E+01 volume   .81640E-03 ppm1      7.767 ppm2       0.87 CV
 ASSI {  388}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
      3.200     1.300     1.300 peak   388 spectrum    1 weight   .10000E+01 volume   .70342E-03 ppm1      7.764 ppm2      0.925 CV
 ASSI {  389}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      2.200      .600      .600 peak   389 spectrum    1 weight   .10000E+01 volume   .60866E-02 ppm1      1.285 ppm2      4.009 CV
 ASSI {  390}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   390 spectrum    1 weight   .10000E+01 volume   .68519E-03 ppm1      8.809 ppm2      7.773 CV
 ASSI {  391}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.900     1.000     1.000 peak   391 spectrum    1 weight   .10000E+01 volume   .14032E-02 ppm1       8.81 ppm2      4.009 CV
 ASSI {  392}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.000     1.100     1.100 peak   392 spectrum    1 weight   .10000E+01 volume   .10861E-02 ppm1      8.809 ppm2      1.295 CV
 ASSI {  393}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HB  ))
      2.000      .500      .500 peak   393 spectrum    1 weight   .10000E+01 volume   .11335E-01 ppm1      1.068 ppm2      4.086 CV
 ASSI {  394}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HB  ))
      2.200      .600      .600 peak   394 spectrum    1 weight   .10000E+01 volume   .77266E-02 ppm1      1.216 ppm2       4.05 CV
 ASSI {  396}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HD3 ))
      2.600      .800      .800 peak   396 spectrum    1 weight   .10000E+01 volume   .25148E-02 ppm1      1.278 ppm2      2.731 CV
 OR {  396}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HD3 ))
 ASSI {  397}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
      3.300     1.300     1.300 peak   397 spectrum    1 weight   .10000E+01 volume   .64875E-03 ppm1      8.286 ppm2      1.285 CV
 OR {  397}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  398}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
      3.100     3.100     2.900 peak   398 spectrum    1 weight   .10000E+01 volume   .90387E-03 ppm1      8.287 ppm2      1.212 CV
 ASSI {  401}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      2.100      .500      .500 peak   401 spectrum    1 weight   .10000E+01 volume   .10023E-01 ppm1      1.103 ppm2      3.945 CV
 ASSI {  404}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.100      .600      .600 peak   404 spectrum    1 weight   .10000E+01 volume   .80911E-02 ppm1      8.422 ppm2      4.683 CV
 ASSI {  407}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
      2.400     2.400     3.600 peak   407 spectrum    1 weight   .10000E+01 volume   .40455E-02 ppm1      3.708 ppm2       4.35 CV
 OR {  407}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  409}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.700      .900      .900 peak   409 spectrum    1 weight   .10000E+01 volume   .22415E-02 ppm1      8.422 ppm2       1.63 CV
 ASSI {  410}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG3 ))
      3.000     1.100     1.100 peak   410 spectrum    1 weight   .10000E+01 volume   .11408E-02 ppm1      8.424 ppm2      1.535 CV
 OR {  410}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI {  412}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600      .900      .900 peak   412 spectrum    1 weight   .10000E+01 volume   .22779E-02 ppm1      8.429 ppm2      1.947 CV
 ASSI {  413}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
      3.600     1.600     1.600 peak   413 spectrum    1 weight   .10000E+01 volume   .38998E-03 ppm1      8.422 ppm2      3.101 CV
 OR {  413}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD3 ))
 ASSI {  414}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      3.300     1.300     1.300 peak   414 spectrum    1 weight   .10000E+01 volume   .65968E-03 ppm1      8.373 ppm2      4.088 CV
 ASSI {  415}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG3 ))
      2.700      .900      .900 peak   415 spectrum    1 weight   .10000E+01 volume   .21394E-02 ppm1      8.373 ppm2      0.514 CV
 OR {  415}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  416}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HD3 ))
      2.700      .900      .900 peak   416 spectrum    1 weight   .10000E+01 volume   .18624E-02 ppm1      8.373 ppm2      1.334 CV
 OR {  416}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI {  417}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.800     1.000     1.000 peak   417 spectrum    1 weight   .10000E+01 volume   .14943E-02 ppm1      8.367 ppm2      1.559 CV
 ASSI {  419}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      3.300     1.400     1.400 peak   419 spectrum    1 weight   .10000E+01 volume   .60866E-03 ppm1      8.223 ppm2      1.078 CV
 ASSI {  420}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      3.000     3.000     3.000 peak   420 spectrum    1 weight   .10000E+01 volume   .10642E-02 ppm1      3.336 ppm2      4.531 CV
 ASSI {  421}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   421 spectrum    1 weight   .10000E+01 volume   .77266E-03 ppm1      3.387 ppm2       4.53 CV
 ASSI {  422}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG3 ))
      2.500      .800      .800 peak   422 spectrum    1 weight   .10000E+01 volume   .31490E-02 ppm1      8.158 ppm2      1.414 CV
 OR {  422}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI {  423}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.700      .900      .900 peak   423 spectrum    1 weight   .10000E+01 volume   .21504E-02 ppm1      7.527 ppm2      1.658 CV
 ASSI {  424}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.600      .900      .900 peak   424 spectrum    1 weight   .10000E+01 volume   .24237E-02 ppm1      7.528 ppm2      1.562 CV
 ASSI {  425}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      3.200     1.300     1.300 peak   425 spectrum    1 weight   .10000E+01 volume   .70342E-03 ppm1      7.528 ppm2      0.869 CV
 ASSI {  426}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG3 ))
      2.300     2.300     3.700 peak   426 spectrum    1 weight   .10000E+01 volume   .52483E-02 ppm1      7.527 ppm2      1.943 CV
 ASSI {  428}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB3 ))
      3.000     1.100     1.100 peak   428 spectrum    1 weight   .10000E+01 volume   .11590E-02 ppm1      8.356 ppm2      2.344 CV
 ASSI {  429}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.900     1.100     1.100 peak   429 spectrum    1 weight   .10000E+01 volume   .12865E-02 ppm1      8.356 ppm2      2.107 CV
 ASSI {  430}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      2.100      .500      .500 peak   430 spectrum    1 weight   .10000E+01 volume   .10496E-01 ppm1      8.357 ppm2      2.228 CV
 ASSI {  431}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.600      .800      .800 peak   431 spectrum    1 weight   .10000E+01 volume   .26277E-02 ppm1      8.079 ppm2      2.133 CV
 ASSI {  432}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.500      .800      .800 peak   432 spectrum    1 weight   .10000E+01 volume   .28975E-02 ppm1      8.082 ppm2      2.161 CV
 ASSI {  434}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 23   and name HB2 ))
      2.800     2.800     3.200 peak   434 spectrum    1 weight   .10000E+01 volume   .16183E-02 ppm1      0.748 ppm2      1.851 CV
 ASSI {  435}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 23   and name HB2 ))
      3.100     3.100     2.900 peak   435 spectrum    1 weight   .10000E+01 volume   .87472E-03 ppm1      0.608 ppm2      1.846 CV
 OR {  435}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  436}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.500      .800      .800 peak   436 spectrum    1 weight   .10000E+01 volume   .29741E-02 ppm1      7.865 ppm2      1.927 CV
 ASSI {  437}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.600     2.600     3.400 peak   437 spectrum    1 weight   .10000E+01 volume   .22706E-02 ppm1      7.868 ppm2      1.853 CV
 ASSI {  438}
   (( segid "    " and resid 23   and name HE2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   438 spectrum    1 weight   .10000E+01 volume   .80911E-03 ppm1      2.838 ppm2      4.498 CV
 ASSI {  439}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
      3.400     1.500     1.500 peak   439 spectrum    1 weight   .10000E+01 volume   .47745E-03 ppm1      3.224 ppm2       4.17 CV
 ASSI {  440}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 19   and name HA  ))
      3.400     1.500     1.500 peak   440 spectrum    1 weight   .10000E+01 volume   .48474E-03 ppm1      2.373 ppm2      4.164 CV
 ASSI {  441}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      2.600      .800      .800 peak   441 spectrum    1 weight   .10000E+01 volume   .28282E-02 ppm1      7.923 ppm2      1.225 CV
 ASSI {  442}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak   442 spectrum    1 weight   .10000E+01 volume   .16547E-02 ppm1      7.923 ppm2      1.937 CV
 ASSI {  443}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      2.900     1.100     1.100 peak   443 spectrum    1 weight   .10000E+01 volume   .12136E-02 ppm1      7.927 ppm2      1.895 CV
 ASSI {  444}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.500      .800      .800 peak   444 spectrum    1 weight   .10000E+01 volume   .33713E-02 ppm1      8.029 ppm2      1.368 CV
 ASSI {  445}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 48   and name HG3 ))
      2.500      .800      .800 peak   445 spectrum    1 weight   .10000E+01 volume   .28610E-02 ppm1      8.028 ppm2      1.452 CV
 OR {  445}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI {  446}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      3.200     1.300     1.300 peak   446 spectrum    1 weight   .10000E+01 volume   .68154E-03 ppm1      8.031 ppm2      1.226 CV
 ASSI {  447}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HD1%)
      3.200     1.200     1.200 peak   447 spectrum    1 weight   .10000E+01 volume   .79089E-03 ppm1      8.027 ppm2      0.757 CV
 ASSI {  448}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG  ))
      3.100     3.100     2.900 peak   448 spectrum    1 weight   .10000E+01 volume   .82004E-03 ppm1      6.563 ppm2      0.603 CV
 ASSI {  450}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HD2%)
      2.300      .700      .700 peak   450 spectrum    1 weight   .10000E+01 volume   .47381E-02 ppm1      3.848 ppm2      0.719 CV
 ASSI {  452}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 8    and name HG2 ))
      3.200     1.300     1.300 peak   452 spectrum    1 weight   .10000E+01 volume   .77996E-03 ppm1      6.696 ppm2      1.201 CV
 ASSI {  453}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HD2 ))
      3.200     3.200     2.800 peak   453 spectrum    1 weight   .10000E+01 volume   .71799E-03 ppm1      6.561 ppm2       3.49 CV
 ASSI {  454}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.200     1.300     1.300 peak   454 spectrum    1 weight   .10000E+01 volume   .68154E-03 ppm1      6.561 ppm2      3.857 CV
 ASSI {  455}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.000     1.100     1.100 peak   455 spectrum    1 weight   .10000E+01 volume   .11772E-02 ppm1      6.563 ppm2      1.367 CV
 ASSI {  456}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HG2 ))
      3.100     3.100     2.900 peak   456 spectrum    1 weight   .10000E+01 volume   .83462E-03 ppm1      8.555 ppm2      1.977 CV
 ASSI {  461}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.400      .700      .700 peak   461 spectrum    1 weight   .10000E+01 volume   .43736E-02 ppm1      8.945 ppm2      4.002 CV
 ASSI {  464}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak   464 spectrum    1 weight   .10000E+01 volume   .76902E-03 ppm1       8.65 ppm2      2.667 CV
 ASSI {  465}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
      3.000     1.100     1.100 peak   465 spectrum    1 weight   .10000E+01 volume   .10460E-02 ppm1      8.647 ppm2      2.867 CV
 ASSI {  466}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB3 ))
      3.200     1.300     1.300 peak   466 spectrum    1 weight   .10000E+01 volume   .72528E-03 ppm1       8.85 ppm2       3.24 CV
 ASSI {  468}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.700     2.700     3.300 peak   468 spectrum    1 weight   .10000E+01 volume   .19353E-02 ppm1      8.852 ppm2      2.511 CV
 ASSI {  469}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HG3 ))
      2.800     1.000     1.000 peak   469 spectrum    1 weight   .10000E+01 volume   .17349E-02 ppm1      7.452 ppm2      2.259 CV
 OR {  469}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI {  470}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HG3 ))
      2.900     1.100     1.100 peak   470 spectrum    1 weight   .10000E+01 volume   .12829E-02 ppm1      6.724 ppm2      2.259 CV
 OR {  470}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI {  471}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
      3.100     1.200     1.200 peak   471 spectrum    1 weight   .10000E+01 volume   .83827E-03 ppm1      8.943 ppm2       2.16 CV
 ASSI {  474}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.800     1.000     1.000 peak   474 spectrum    1 weight   .10000E+01 volume   .15563E-02 ppm1      3.679 ppm2      2.486 CV
 ASSI {  476}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.700      .900      .900 peak   476 spectrum    1 weight   .10000E+01 volume   .18624E-02 ppm1      3.913 ppm2      2.459 CV
 ASSI {  477}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG3 ))
      2.500      .800      .800 peak   477 spectrum    1 weight   .10000E+01 volume   .34551E-02 ppm1      3.915 ppm2      2.225 CV
 OR {  477}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  478}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 21   and name HG3 ))
      2.600      .800      .800 peak   478 spectrum    1 weight   .10000E+01 volume   .28246E-02 ppm1      4.002 ppm2      2.223 CV
 OR {  478}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  480}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD2 ))
      3.100     1.200     1.200 peak   480 spectrum    1 weight   .10000E+01 volume   .92210E-03 ppm1      3.994 ppm2      1.428 CV
 ASSI {  482}
   (( segid "    " and resid 41   and name HD22))
   (( segid "    " and resid 41   and name HB2 ))
      2.900     1.000     1.000 peak   482 spectrum    1 weight   .10000E+01 volume   .14214E-02 ppm1      7.443 ppm2      3.164 CV
 ASSI {  483}
   (( segid "    " and resid 41   and name HD21))
   (( segid "    " and resid 41   and name HB2 ))
      3.000     1.200     1.200 peak   483 spectrum    1 weight   .10000E+01 volume   .10023E-02 ppm1      6.783 ppm2      3.167 CV
 ASSI {  484}
   (( segid "    " and resid 41   and name HD22))
   (( segid "    " and resid 41   and name HB3 ))
      3.300     1.300     1.300 peak   484 spectrum    1 weight   .10000E+01 volume   .65968E-03 ppm1      7.443 ppm2       2.65 CV
 ASSI {  485}
   (( segid "    " and resid 41   and name HD21))
   (( segid "    " and resid 41   and name HB3 ))
      3.400     1.400     1.400 peak   485 spectrum    1 weight   .10000E+01 volume   .53576E-03 ppm1      6.782 ppm2      2.655 CV
 ASSI {  490}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HB2 ))
      2.400     2.400     3.600 peak   490 spectrum    1 weight   .10000E+01 volume   .36446E-02 ppm1      3.481 ppm2      2.045 CV
 ASSI {  493}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   493 spectrum    1 weight   .10000E+01 volume   .15526E-02 ppm1      3.308 ppm2       3.92 CV
 ASSI {  495}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 23   and name HD2 ))
      2.500      .800      .800 peak   495 spectrum    1 weight   .10000E+01 volume   .31781E-02 ppm1      3.094 ppm2      1.423 CV
 OR {  495}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 23   and name HD3 ))
 ASSI {  497}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak   497 spectrum    1 weight   .10000E+01 volume   .16000E-02 ppm1       3.34 ppm2      5.169 CV
 ASSI {  498}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     1.100     1.100 peak   498 spectrum    1 weight   .10000E+01 volume   .11006E-02 ppm1      3.389 ppm2      5.169 CV
 ASSI {  499}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HD2 ))
      2.900     1.000     1.000 peak   499 spectrum    1 weight   .10000E+01 volume   .14287E-02 ppm1      3.392 ppm2      7.043 CV
 ASSI {  501}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
      2.600      .900      .900 peak   501 spectrum    1 weight   .10000E+01 volume   .23435E-02 ppm1      5.688 ppm2      5.167 CV
 ASSI {  502}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 35   and name HA  ))
      2.700      .900      .900 peak   502 spectrum    1 weight   .10000E+01 volume   .21285E-02 ppm1      5.422 ppm2      5.099 CV
 ASSI {  503}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      2.300      .600      .600 peak   503 spectrum    1 weight   .10000E+01 volume   .59407E-02 ppm1      5.448 ppm2      5.071 CV
 ASSI {  507}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 35   and name HB3 ))
      3.100     1.200     1.200 peak   507 spectrum    1 weight   .10000E+01 volume   .91845E-03 ppm1      2.218 ppm2      3.308 CV
 ASSI {  508}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      3.500     1.500     1.500 peak   508 spectrum    1 weight   .10000E+01 volume   .42643E-03 ppm1      2.622 ppm2      3.922 CV
 ASSI {  511}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.400     1.400     1.400 peak   511 spectrum    1 weight   .10000E+01 volume   .55398E-03 ppm1      5.445 ppm2      7.986 CV
 ASSI {  515}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HB3 ))
      2.000      .500      .500 peak   515 spectrum    1 weight   .10000E+01 volume   .12683E-01 ppm1      3.763 ppm2      4.025 CV
 ASSI {  516}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HB3 ))
      1.800      .400      .400 peak   516 spectrum    1 weight   .10000E+01 volume   .19899E-01 ppm1      2.474 ppm2       2.63 CV
 ASSI {  517}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 15   and name HA  ))
      2.300      .700      .700 peak   517 spectrum    1 weight   .10000E+01 volume   .54305E-02 ppm1     10.035 ppm2      4.531 CV
 ASSI {  518}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 43   and name HB3 ))
      3.400     1.400     1.400 peak   518 spectrum    1 weight   .10000E+01 volume   .54305E-03 ppm1     10.035 ppm2      3.404 CV
 ASSI {  521}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak   521 spectrum    1 weight   .10000E+01 volume   .69613E-03 ppm1      6.697 ppm2      1.366 CV
 ASSI {  522}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 8    and name HB2 ))
      3.400     1.500     1.500 peak   522 spectrum    1 weight   .10000E+01 volume   .48474E-03 ppm1      6.696 ppm2      1.286 CV
 OR {  522}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 8    and name HB3 ))
 ASSI {  523}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 8    and name HG3 ))
      3.400     1.400     1.400 peak   523 spectrum    1 weight   .10000E+01 volume   .52119E-03 ppm1      6.697 ppm2       1.11 CV
 ASSI {  524}
   (  segid "    " and resid 28   and name HE% )
   (  segid "    " and resid 27   and name HD2%)
      3.100     1.200     1.200 peak   524 spectrum    1 weight   .10000E+01 volume   .91481E-03 ppm1      6.696 ppm2      0.709 CV
 ASSI {  525}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.400     1.400     1.400 peak   525 spectrum    1 weight   .10000E+01 volume   .54669E-03 ppm1      6.647 ppm2      2.289 CV
 ASSI {  526}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 45   and name HB2 ))
      3.400     1.500     1.500 peak   526 spectrum    1 weight   .10000E+01 volume   .48109E-03 ppm1      7.196 ppm2      2.672 CV
 ASSI {  529}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      2.800     1.000     1.000 peak   529 spectrum    1 weight   .10000E+01 volume   .16073E-02 ppm1      6.648 ppm2      1.184 CV
 ASSI {  532}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.300     1.300     1.300 peak   532 spectrum    1 weight   .10000E+01 volume   .62688E-03 ppm1      6.647 ppm2      2.862 CV
 ASSI {  534}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 17   and name HB  ))
      2.900     1.000     1.000 peak   534 spectrum    1 weight   .10000E+01 volume   .13704E-02 ppm1     10.035 ppm2      3.548 CV
 ASSI {  535}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 15   and name HB3 ))
      2.600     2.600     3.400 peak   535 spectrum    1 weight   .10000E+01 volume   .24528E-02 ppm1     10.035 ppm2       1.89 CV
 ASSI {  536}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 15   and name HG2 ))
      3.300     1.400     1.400 peak   536 spectrum    1 weight   .10000E+01 volume   .58314E-03 ppm1     10.035 ppm2      1.413 CV
 OR {  536}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 15   and name HG3 ))
 ASSI {  538}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      2.300      .700      .700 peak   538 spectrum    1 weight   .10000E+01 volume   .52483E-02 ppm1      1.285 ppm2      4.137 CV
 ASSI {  539}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 22   and name HG3 ))
      2.900     1.000     1.000 peak   539 spectrum    1 weight   .10000E+01 volume   .14433E-02 ppm1      1.287 ppm2      2.388 CV
 ASSI {  540}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 22   and name HG2 ))
      3.000     1.100     1.100 peak   540 spectrum    1 weight   .10000E+01 volume   .11445E-02 ppm1      1.285 ppm2      2.302 CV
 ASSI {  541}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 22   and name HG3 ))
      2.900     2.900     3.100 peak   541 spectrum    1 weight   .10000E+01 volume   .14542E-02 ppm1      1.219 ppm2      2.385 CV
 ASSI {  542}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 22   and name HG2 ))
      3.000     3.000     3.000 peak   542 spectrum    1 weight   .10000E+01 volume   .10898E-02 ppm1      1.219 ppm2      2.302 CV
 ASSI {  543}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
      3.000     3.000     3.000 peak   543 spectrum    1 weight   .10000E+01 volume   .11226E-02 ppm1      1.216 ppm2      2.135 CV
 ASSI {  544}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
      2.800     1.000     1.000 peak   544 spectrum    1 weight   .10000E+01 volume   .14870E-02 ppm1       1.29 ppm2      2.134 CV
 ASSI {  545}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 21   and name HG2 ))
      3.100     1.200     1.200 peak   545 spectrum    1 weight   .10000E+01 volume   .90387E-03 ppm1      1.285 ppm2      2.217 CV
 OR {  545}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {  548}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 45   and name HB2 ))
      3.300     1.400     1.400 peak   548 spectrum    1 weight   .10000E+01 volume   .59407E-03 ppm1       6.69 ppm2      2.671 CV
 ASSI {  549}
   (  segid "    " and resid 28   and name HE% )
   (  segid "    " and resid 27   and name HD1%)
      2.900     1.000     1.000 peak   549 spectrum    1 weight   .10000E+01 volume   .14505E-02 ppm1      6.697 ppm2      0.748 CV
 ASSI {  551}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 23   and name HB2 ))
      2.600     2.600     3.400 peak   551 spectrum    1 weight   .10000E+01 volume   .27153E-02 ppm1      0.867 ppm2      1.845 CV
 ASSI {  553}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 13   and name HG  ))
      2.400      .700      .700 peak   553 spectrum    1 weight   .10000E+01 volume   .42643E-02 ppm1      0.951 ppm2      1.738 CV
 ASSI {  554}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 23   and name HB2 ))
      2.700      .900      .900 peak   554 spectrum    1 weight   .10000E+01 volume   .18369E-02 ppm1      0.895 ppm2      1.839 CV
 ASSI {  557}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 13   and name HB2 ))
      2.900     2.900     3.100 peak   557 spectrum    1 weight   .10000E+01 volume   .14615E-02 ppm1     10.035 ppm2      1.699 CV
 ASSI {  558}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 17   and name HB  ))
      3.200     3.200     2.800 peak   558 spectrum    1 weight   .10000E+01 volume   .67426E-03 ppm1      7.036 ppm2      3.546 CV
 ASSI {  559}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 44   and name HA  ))
      3.200     1.300     1.300 peak   559 spectrum    1 weight   .10000E+01 volume   .71799E-03 ppm1      7.039 ppm2      4.841 CV
 ASSI {  560}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 44   and name HN  ))
      3.300     1.300     1.300 peak   560 spectrum    1 weight   .10000E+01 volume   .64145E-03 ppm1      7.039 ppm2      8.665 CV
 ASSI {  565}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 17   and name HB  ))
      3.000     1.100     1.100 peak   565 spectrum    1 weight   .10000E+01 volume   .11481E-02 ppm1        2.1 ppm2       3.55 CV
 ASSI {  566}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 17   and name HB  ))
      3.000     3.000     3.000 peak   566 spectrum    1 weight   .10000E+01 volume   .11481E-02 ppm1      1.946 ppm2      3.553 CV
 ASSI {  571}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.100     1.200     1.200 peak   571 spectrum    1 weight   .10000E+01 volume   .96217E-03 ppm1      8.273 ppm2      3.149 CV
 ASSI {  574}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 12   and name HD2 ))
      3.200     1.300     1.300 peak   574 spectrum    1 weight   .10000E+01 volume   .77266E-03 ppm1      8.269 ppm2      1.336 CV
 OR {  574}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 12   and name HD3 ))
 ASSI {  575}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak   575 spectrum    1 weight   .10000E+01 volume   .11372E-02 ppm1      7.528 ppm2      6.657 CV
 ASSI {  576}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.800     1.000     1.000 peak   576 spectrum    1 weight   .10000E+01 volume   .17750E-02 ppm1      8.432 ppm2      4.019 CV
 ASSI {  577}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.200     1.300     1.300 peak   577 spectrum    1 weight   .10000E+01 volume   .72164E-03 ppm1      8.429 ppm2      3.771 CV
 ASSI {  578}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG3 ))
      2.800     1.000     1.000 peak   578 spectrum    1 weight   .10000E+01 volume   .17457E-02 ppm1      8.357 ppm2      1.946 CV
 ASSI {  579}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG3 ))
      2.500      .800      .800 peak   579 spectrum    1 weight   .10000E+01 volume   .34406E-02 ppm1      7.958 ppm2      2.244 CV
 ASSI {  580}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG3 ))
      2.400      .700      .700 peak   580 spectrum    1 weight   .10000E+01 volume   .41913E-02 ppm1      7.958 ppm2      2.221 CV
 OR {  580}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  582}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      3.100     1.200     1.200 peak   582 spectrum    1 weight   .10000E+01 volume   .88200E-03 ppm1      9.016 ppm2      2.627 CV
 ASSI {  583}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.400     1.500     1.500 peak   583 spectrum    1 weight   .10000E+01 volume   .47016E-03 ppm1      9.019 ppm2      2.482 CV
 ASSI {  584}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak   584 spectrum    1 weight   .10000E+01 volume   .72528E-03 ppm1      9.024 ppm2      8.641 CV
 ASSI {  587}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.700      .900      .900 peak   587 spectrum    1 weight   .10000E+01 volume   .18406E-02 ppm1      7.822 ppm2      4.301 CV
 ASSI {  588}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak   588 spectrum    1 weight   .10000E+01 volume   .11335E-02 ppm1      7.819 ppm2      1.804 CV
 ASSI {  589}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
      3.000     3.000     3.000 peak   589 spectrum    1 weight   .10000E+01 volume   .10533E-02 ppm1      7.821 ppm2      2.161 CV
 ASSI {  590}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.500      .800      .800 peak   590 spectrum    1 weight   .10000E+01 volume   .29194E-02 ppm1      7.979 ppm2      2.157 CV
 ASSI {  591}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
      3.100     1.200     1.200 peak   591 spectrum    1 weight   .10000E+01 volume   .83462E-03 ppm1      7.822 ppm2      1.915 CV
 ASSI {  594}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.100     1.200     1.200 peak   594 spectrum    1 weight   .10000E+01 volume   .82369E-03 ppm1      9.026 ppm2      4.858 CV
 ASSI {  595}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      2.600      .900      .900 peak   595 spectrum    1 weight   .10000E+01 volume   .24820E-02 ppm1      9.024 ppm2      2.973 CV
 ASSI {  596}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
      3.100     3.100     2.900 peak   596 spectrum    1 weight   .10000E+01 volume   .87107E-03 ppm1      3.802 ppm2      4.291 CV
 ASSI {  597}
   (( segid "    " and resid 31   and name HA1 ))
   (( segid "    " and resid 31   and name HA2 ))
      2.100      .600      .600 peak   597 spectrum    1 weight   .10000E+01 volume   .89658E-02 ppm1      3.664 ppm2      4.291 CV
 ASSI {  598}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.900     1.000     1.000 peak   598 spectrum    1 weight   .10000E+01 volume   .13522E-02 ppm1      7.976 ppm2      3.281 CV
 OR {  598}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI {  601}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 23   and name HG2 ))
      3.000     3.000     3.000 peak   601 spectrum    1 weight   .10000E+01 volume   .99132E-03 ppm1      0.745 ppm2      1.555 CV
 ASSI {  606}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.500      .800      .800 peak   606 spectrum    1 weight   .10000E+01 volume   .31927E-02 ppm1      3.104 ppm2      1.694 CV
 OR {  606}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  607}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HB3 ))
      2.300      .700      .700 peak   607 spectrum    1 weight   .10000E+01 volume   .51025E-02 ppm1      3.108 ppm2       1.62 CV
 OR {  607}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI {  608}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 11   and name HB3 ))
      2.600     2.600     3.400 peak   608 spectrum    1 weight   .10000E+01 volume   .28100E-02 ppm1      3.199 ppm2      1.613 CV
 ASSI {  610}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HG3 ))
      1.800      .400      .400 peak   610 spectrum    1 weight   .10000E+01 volume   .24893E-01 ppm1       2.53 ppm2      2.461 CV
 ASSI {  611}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
      1.800      .400      .400 peak   611 spectrum    1 weight   .10000E+01 volume   .27007E-01 ppm1       2.34 ppm2      2.234 CV
 OR {  611}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {  612}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 22   and name HG2 ))
      1.600      .300      .600 peak   612 spectrum    1 weight   .10000E+01 volume   .49567E-01 ppm1      2.374 ppm2      2.302 CV
 ASSI {  613}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HG2 ))
      1.900     1.900     4.100 peak   613 spectrum    1 weight   .10000E+01 volume   .14542E-01 ppm1      2.376 ppm2      1.959 CV
 ASSI {  614}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HB2 ))
      1.900      .400      .400 peak   614 spectrum    1 weight   .10000E+01 volume   .18369E-01 ppm1      2.207 ppm2      1.949 CV
 ASSI {  615}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG3 ))
      2.300      .700      .700 peak   615 spectrum    1 weight   .10000E+01 volume   .53576E-02 ppm1       2.28 ppm2      1.945 CV
 ASSI {  616}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HB3 ))
      2.200      .600      .600 peak   616 spectrum    1 weight   .10000E+01 volume   .73258E-02 ppm1      3.153 ppm2      2.654 CV
 ASSI {  617}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
      1.900      .500      .500 peak   617 spectrum    1 weight   .10000E+01 volume   .14433E-01 ppm1       3.23 ppm2      2.507 CV
 ASSI {  618}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HB2 ))
      2.000      .500      .500 peak   618 spectrum    1 weight   .10000E+01 volume   .13850E-01 ppm1      3.304 ppm2       2.46 CV
 ASSI {  619}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HB2 ))
      1.800      .400      .400 peak   619 spectrum    1 weight   .10000E+01 volume   .20519E-01 ppm1      2.861 ppm2      2.666 CV
 ASSI {  622}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HB3 ))
      2.100      .500      .500 peak   622 spectrum    1 weight   .10000E+01 volume   .97675E-02 ppm1      2.623 ppm2      2.943 CV
 ASSI {  626}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HB2 ))
      1.700      .400      .500 peak   626 spectrum    1 weight   .10000E+01 volume   .28866E-01 ppm1      2.967 ppm2      3.151 CV
 ASSI {  627}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 33   and name HB3 ))
      2.200     2.200     3.800 peak   627 spectrum    1 weight   .10000E+01 volume   .65968E-02 ppm1      3.022 ppm2       3.25 CV
 ASSI {  629}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HG2 ))
      2.800     1.000     1.000 peak   629 spectrum    1 weight   .10000E+01 volume   .15745E-02 ppm1      2.194 ppm2      2.538 CV
 ASSI {  630}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HG3 ))
      2.600      .800      .800 peak   630 spectrum    1 weight   .10000E+01 volume   .25622E-02 ppm1      2.194 ppm2      2.452 CV
 ASSI {  631}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HB3 ))
      1.700      .400      .500 peak   631 spectrum    1 weight   .10000E+01 volume   .29485E-01 ppm1       2.22 ppm2      2.345 CV
 ASSI {  632}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HG3 ))
      2.300      .600      .600 peak   632 spectrum    1 weight   .10000E+01 volume   .56857E-02 ppm1      2.129 ppm2      2.379 CV
 ASSI {  634}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
      1.800      .400      .400 peak   634 spectrum    1 weight   .10000E+01 volume   .21795E-01 ppm1      2.134 ppm2      2.299 CV
 ASSI {  636}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HG2 ))
      1.700     1.700     4.300 peak   636 spectrum    1 weight   .10000E+01 volume   .35609E-01 ppm1      2.153 ppm2      2.258 CV
 OR {  636}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HG3 ))
 ASSI {  640}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HB3 ))
      1.900     1.900     4.100 peak   640 spectrum    1 weight   .10000E+01 volume   .15453E-01 ppm1      1.941 ppm2      2.107 CV
 ASSI {  641}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB3 ))
      1.900      .400      .400 peak   641 spectrum    1 weight   .10000E+01 volume   .18806E-01 ppm1      1.759 ppm2      2.035 CV
 ASSI {  642}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 30   and name HB3 ))
      2.300      .600      .600 peak   642 spectrum    1 weight   .10000E+01 volume   .58314E-02 ppm1      1.587 ppm2      2.031 CV
 OR {  642}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HB3 ))
 ASSI {  644}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HB3 ))
      2.400      .700      .700 peak   644 spectrum    1 weight   .10000E+01 volume   .36811E-02 ppm1      1.401 ppm2      1.879 CV
 OR {  644}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI {  645}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.500      .800      .800 peak   645 spectrum    1 weight   .10000E+01 volume   .33677E-02 ppm1      1.442 ppm2      1.853 CV
 ASSI {  647}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.500      .800      .800 peak   647 spectrum    1 weight   .10000E+01 volume   .31125E-02 ppm1      1.548 ppm2       1.84 CV
 ASSI {  648}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HB2 ))
      1.700      .400      .500 peak   648 spectrum    1 weight   .10000E+01 volume   .29886E-01 ppm1      1.685 ppm2      1.805 CV
 OR {  648}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  648}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  648}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 4    and name HB3 ))
 ASSI {  649}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB3 ))
      2.700      .900      .900 peak   649 spectrum    1 weight   .10000E+01 volume   .19025E-02 ppm1       1.55 ppm2      1.924 CV
 ASSI {  650}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.100      .600      .600 peak   650 spectrum    1 weight   .10000E+01 volume   .80182E-02 ppm1      0.513 ppm2      1.566 CV
 OR {  650}
   (( segid "    " and resid 12   and name HG3 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  652}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.200     2.200     3.800 peak   652 spectrum    1 weight   .10000E+01 volume   .71071E-02 ppm1      0.608 ppm2      1.366 CV
 ASSI {  653}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.400      .700      .700 peak   653 spectrum    1 weight   .10000E+01 volume   .44829E-02 ppm1      0.604 ppm2      1.369 CV
 OR {  653}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  654}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HB2 ))
      2.400      .700      .700 peak   654 spectrum    1 weight   .10000E+01 volume   .45193E-02 ppm1      0.747 ppm2      1.367 CV
 ASSI {  656}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.400      .700      .700 peak   656 spectrum    1 weight   .10000E+01 volume   .36410E-02 ppm1      1.522 ppm2      3.097 CV
 OR {  656}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD3 ))
 OR {  656}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HD3 ))
 ASSI {  662}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.900     1.000     1.000 peak   662 spectrum    1 weight   .10000E+01 volume   .13376E-02 ppm1      2.482 ppm2      3.743 CV
 ASSI {  664}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 36   and name HB3 ))
      3.100     1.200     1.200 peak   664 spectrum    1 weight   .10000E+01 volume   .89294E-03 ppm1      2.626 ppm2      3.685 CV
 ASSI {  665}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.200     1.300     1.300 peak   665 spectrum    1 weight   .10000E+01 volume   .68154E-03 ppm1      2.627 ppm2      3.745 CV
 ASSI {  667}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
      2.700      .900      .900 peak   667 spectrum    1 weight   .10000E+01 volume   .18879E-02 ppm1      1.876 ppm2      4.004 CV
 ASSI {  668}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.100     1.100 peak   668 spectrum    1 weight   .10000E+01 volume   .10788E-02 ppm1       1.69 ppm2      4.001 CV
 OR {  668}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  669}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   669 spectrum    1 weight   .10000E+01 volume   .10788E-02 ppm1      1.688 ppm2      4.613 CV
 OR {  669}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 34   and name HA  ))
 ASSI {  671}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak   671 spectrum    1 weight   .10000E+01 volume   .17713E-02 ppm1      1.841 ppm2      4.128 CV
 ASSI {  672}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 20   and name HA  ))
      3.100     3.100     2.900 peak   672 spectrum    1 weight   .10000E+01 volume   .83462E-03 ppm1      1.745 ppm2      4.133 CV
 ASSI {  673}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.600      .800      .800 peak   673 spectrum    1 weight   .10000E+01 volume   .28136E-02 ppm1      1.943 ppm2      6.656 CV
 ASSI {  674}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak   674 spectrum    1 weight   .10000E+01 volume   .15344E-02 ppm1      2.101 ppm2      6.656 CV
 ASSI {  683}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HB2 ))
      2.600      .800      .800 peak   683 spectrum    1 weight   .10000E+01 volume   .26861E-02 ppm1       2.78 ppm2      1.292 CV
 OR {  683}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HB3 ))
 ASSI {  684}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HD3 ))
      2.800      .900      .900 peak   684 spectrum    1 weight   .10000E+01 volume   .17969E-02 ppm1      2.954 ppm2      1.335 CV
 OR {  684}
   (( segid "    " and resid 12   and name HE3 ))
   (( segid "    " and resid 12   and name HD2 ))
 OR {  684}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HD2 ))
 OR {  684}
   (( segid "    " and resid 12   and name HE3 ))
   (( segid "    " and resid 12   and name HD3 ))
 ASSI {  688}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HB2 ))
      1.900      .400      .400 peak   688 spectrum    1 weight   .10000E+01 volume   .18296E-01 ppm1      1.912 ppm2      1.803 CV
 ASSI {  690}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG2 ))
      1.900      .400      .400 peak   690 spectrum    1 weight   .10000E+01 volume   .18004E-01 ppm1       1.41 ppm2      1.548 CV
 OR {  690}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI {  692}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG3 ))
      2.600      .800      .800 peak   692 spectrum    1 weight   .10000E+01 volume   .26752E-02 ppm1      1.324 ppm2      0.523 CV
 OR {  692}
   (( segid "    " and resid 12   and name HD3 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  692}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  695}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.700      .900      .900 peak   695 spectrum    1 weight   .10000E+01 volume   .19098E-02 ppm1      7.871 ppm2      4.001 CV
 ASSI {  696}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.000     2.000     4.000 peak   696 spectrum    1 weight   .10000E+01 volume   .11335E-01 ppm1      7.765 ppm2      4.633 CV
 ASSI {  697}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.200     1.200     1.200 peak   697 spectrum    1 weight   .10000E+01 volume   .79453E-03 ppm1      8.226 ppm2      4.131 CV
 ASSI {  698}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
      2.700      .900      .900 peak   698 spectrum    1 weight   .10000E+01 volume   .21102E-02 ppm1      8.184 ppm2      1.606 CV
 ASSI {  702}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB3 ))
      2.400      .700      .700 peak   702 spectrum    1 weight   .10000E+01 volume   .38998E-02 ppm1       2.03 ppm2      2.384 CV
 ASSI {  703}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HG2 ))
      2.600      .900      .900 peak   703 spectrum    1 weight   .10000E+01 volume   .24711E-02 ppm1      1.944 ppm2      2.538 CV
 ASSI {  707}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 43   and name HE1 ))
      2.600     2.600     3.400 peak   707 spectrum    1 weight   .10000E+01 volume   .24601E-02 ppm1      3.018 ppm2     10.045 CV
 ASSI {  712}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      3.200     1.200     1.200 peak   712 spectrum    1 weight   .10000E+01 volume   .79818E-03 ppm1      3.169 ppm2      8.438 CV
 ASSI {  714}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
      2.800     1.000     1.000 peak   714 spectrum    1 weight   .10000E+01 volume   .16802E-02 ppm1      1.068 ppm2      9.131 CV
 ASSI {  716}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 40   and name HB2 ))
      2.900     2.900     3.100 peak   716 spectrum    1 weight   .10000E+01 volume   .12100E-02 ppm1      1.067 ppm2       1.95 CV
 ASSI {  717}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 40   and name HB3 ))
      3.100     3.100     2.900 peak   717 spectrum    1 weight   .10000E+01 volume   .86743E-03 ppm1      1.071 ppm2      2.203 CV
 ASSI {  722}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HE3 ))
      2.900     1.100     1.100 peak   722 spectrum    1 weight   .10000E+01 volume   .12136E-02 ppm1      1.409 ppm2       2.99 CV
 OR {  722}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HE3 ))
 ASSI {  724}
   (( segid "    " and resid 12   and name HD3 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.300      .700      .700 peak   724 spectrum    1 weight   .10000E+01 volume   .54669E-02 ppm1      1.316 ppm2      1.567 CV
 OR {  724}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  725}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     2.900     3.100 peak   725 spectrum    1 weight   .10000E+01 volume   .12829E-02 ppm1      3.234 ppm2      4.454 CV
 ASSI {  728}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 11   and name HG3 ))
      3.100     3.100     2.900 peak   728 spectrum    1 weight   .10000E+01 volume   .80911E-03 ppm1      3.711 ppm2      1.531 CV
 OR {  728}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 11   and name HG3 ))
 OR {  728}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI {  729}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.000     1.100     1.100 peak   729 spectrum    1 weight   .10000E+01 volume   .10132E-02 ppm1      8.178 ppm2      3.036 CV
 ASSI {  732}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak   732 spectrum    1 weight   .10000E+01 volume   .77630E-03 ppm1      8.175 ppm2      3.657 CV
 ASSI {  733}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      3.100     3.100     2.900 peak   733 spectrum    1 weight   .10000E+01 volume   .84556E-03 ppm1      8.174 ppm2      3.814 CV
 ASSI {  734}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.100      .600      .600 peak   734 spectrum    1 weight   .10000E+01 volume   .80911E-02 ppm1      8.178 ppm2      4.574 CV
 ASSI {  735}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.700      .900      .900 peak   735 spectrum    1 weight   .10000E+01 volume   .21139E-02 ppm1      8.181 ppm2      4.325 CV
 ASSI {  738}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HD2 ))
      3.000     1.100     1.100 peak   738 spectrum    1 weight   .10000E+01 volume   .11845E-02 ppm1      8.625 ppm2      1.694 CV
 OR {  738}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HD3 ))
 ASSI {  739}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HD2 ))
      2.500      .800      .800 peak   739 spectrum    1 weight   .10000E+01 volume   .28866E-02 ppm1      8.051 ppm2      1.695 CV
 OR {  739}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HD3 ))
 ASSI {  740}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG3 ))
      3.200     1.300     1.300 peak   740 spectrum    1 weight   .10000E+01 volume   .71799E-03 ppm1      8.048 ppm2      1.515 CV
 OR {  740}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {  741}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.700      .900      .900 peak   741 spectrum    1 weight   .10000E+01 volume   .18733E-02 ppm1       8.05 ppm2      1.811 CV
 OR {  741}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB3 ))
 ASSI {  742}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.300     1.300     1.300 peak   742 spectrum    1 weight   .10000E+01 volume   .65968E-03 ppm1      8.111 ppm2      3.031 CV
 ASSI {  743}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.300     1.300     1.300 peak   743 spectrum    1 weight   .10000E+01 volume   .63417E-03 ppm1      8.108 ppm2      2.857 CV
 ASSI {  744}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.000     1.000 peak   744 spectrum    1 weight   .10000E+01 volume   .13558E-02 ppm1      8.108 ppm2       4.15 CV
 ASSI {  749}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     1.000     1.000 peak   749 spectrum    1 weight   .10000E+01 volume   .14761E-02 ppm1      3.714 ppm2      4.684 CV
 OR {  749}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  751}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 4    and name HG2 ))
      2.100      .500      .500 peak   751 spectrum    1 weight   .10000E+01 volume   .99861E-02 ppm1      1.611 ppm2      1.516 CV
 OR {  751}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  751}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {  753}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HB2 ))
      2.400      .700      .700 peak   753 spectrum    1 weight   .10000E+01 volume   .42643E-02 ppm1      1.397 ppm2      1.684 CV
 OR {  753}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI {  755}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 23   and name HD3 ))
      2.600     2.600     3.400 peak   755 spectrum    1 weight   .10000E+01 volume   .24091E-02 ppm1      3.096 ppm2      1.402 CV
 OR {  755}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 23   and name HD3 ))
 ASSI {  756}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 23   and name HG3 ))
      3.100     1.200     1.200 peak   756 spectrum    1 weight   .10000E+01 volume   .94031E-03 ppm1      2.781 ppm2      1.607 CV
 ASSI {  757}
   (( segid "    " and resid 8    and name HD3 ))
   (( segid "    " and resid 23   and name HG3 ))
      3.100     1.200     1.200 peak   757 spectrum    1 weight   .10000E+01 volume   .90022E-03 ppm1       2.73 ppm2      1.604 CV
 ASSI {  760}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.000     1.100     1.100 peak   760 spectrum    1 weight   .10000E+01 volume   .11372E-02 ppm1      8.286 ppm2      1.103 CV
 ASSI {  761}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 10   and name HA  ))
      2.900     1.000     1.000 peak   761 spectrum    1 weight   .10000E+01 volume   .13339E-02 ppm1      1.104 ppm2      4.674 CV
assi (resid 6 and name HA)  (resid 6 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi ((resid 6 and name HB3) or(resid 6 and name HB2))  (resid 6 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 7 and name HA)  (resid 7 and name HB) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 7 and name HA)  (resid 7 and name HG2%) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 7 and name HA)  (resid 7 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi (resid 7 and name HA)  (resid 8 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi (resid 7 and name HB)  (resid 7 and name HG2%) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 7 and name HB)  (resid 7 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 7 and name HB)  (resid 8 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 8 and name HA)  ((resid 8 and name HB3) or (resid 8 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 8 and name HA)  ((resid 8 and name HD3) or (resid 8 and name HD2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 8 and name HA)  ((resid 8 and name HG3) or (resid 8 and name HG2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 8 and name HA)  (resid 8 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 8 and name HA)  (resid 9 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi ((resid 8 and name HB3) or (resid 8 and name HB2))  (resid 8 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 8 and name HB3) or (resid 8 and name HB2))  (resid 9 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 8 and name HD3) or (resid 8 and name HD2))  (resid 8 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 8 and name HG3) or (resid 8 and name HG2))  (resid 8 and name HN) 3.0 3.2 1.0 weight   .12000E+01
assi ((resid 8 and name HG3) or (resid 8 and name HG2))  (resid 9 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 9 and name HA2) or (resid 9 and name HA1))  (resid 7 and name HG2%) 5.0 3.2 2.0 weight   .12000E+01
assi ((resid 9 and name HA2) or (resid 9 and name HA1))  (resid 9 and name HN) 3.0 3.2 1.0 weight   .12000E+01
assi ((resid 9 and name HA2) or (resid 9 and name HA1))  (resid 10 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 9 and name HA2) or (resid 9 and name HA1))  ((resid 11 and name HD3) or (resid 11 and name HD2)) 5.0 3.2 2.0 weight   .12000E+01
assi (resid 10 and name HA)  ((resid 10 and name HB3) or (resid 10 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 10 and name HA)  (resid 10 and name HD%) 5.0 3.2 2.0 weight   .12000E+01
assi (resid 10 and name HA)  (resid 10 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 10 and name HA)  (resid 11 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi ((resid 10 and name HB3) or (resid 10 and name HB2))  (resid 10 and name HD%) 5.0 3.2 3.4 weight   .12000E+01
assi ((resid 10 and name HB3) or (resid 10 and name HB2))  (resid 10 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 10 and name HB3) or (resid 10 and name HB2))  (resid 11 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 10 and name HD%)  (resid 10 and name HN) 5.0 3.2 2.4 weight   .12000E+01
assi (resid 11 and name HA)  ((resid 11 and name HD3) or (resid 11 and name HD2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 11 and name HA)  (resid 11 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 11 and name HA)  (resid 12 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi (resid 11 and name HA)  ((resid 44 and name HB3) or (resid 44 and name HB2)) 3.0 1.2 1.0 weight   .12000E+01
assi ((resid 11 and name HB3) or (resid 11 and name HB2))  (resid 11 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 11 and name HD3) or (resid 11 and name HD2)) ((resid 8 and name HG3) or (resid 8 and name HG2)) 5.0 3.2 2.0 weight   .12000E+01
assi ((resid 11 and name HD3) or (resid 11 and name HD2))  (resid 42 and name HG2%) 5.0 3.2 2.0 weight   .12000E+01
!! 0523 assi ((resid 11 and name HG3) or (resid 11 and name HG2))  (resid 7 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 11 and name HG3) or (resid 11 and name HG2))  (resid 11 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 12 and name HA)  ((resid 12 and name HB3) or (resid 12 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 12 and name HA)  ((resid 12 and name HD3) or (resid 12 and name HD2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 12 and name HA)  ((resid 12 and name HG3) or (resid 12 and name HG2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 12 and name HA)  (resid 12 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 12 and name HA)  (resid 13 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi ((resid 12 and name HB3) or (resid 12 and name HB2))  (resid 12 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 12 and name HB3) or (resid 12 and name HB2))  (resid 13 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 12 and name HD3) or (resid 12 and name HD2))  (resid 7 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 12 and name HD3) or (resid 12 and name HD2))  (resid 10 and name HD%) 5.0 3.2 3.4 weight   .12000E+01
assi ((resid 12 and name HD3) or (resid 12 and name HD2))  (resid 12 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 12 and name HD3) or (resid 12 and name HD2))  (resid 13 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 12 and name HE#)  (resid 8 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 12 and name HE#)  ((resid 12 and name HD3) or (resid 12 and name HD2)) 5.0 3.2 2.0 weight   .12000E+01
assi ((resid 12 and name HG3) or (resid 12 and name HG2))  (resid 7 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 12 and name HG3) or (resid 12 and name HG2))  (resid 12 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 12 and name HG3) or (resid 12 and name HG2))  (resid 13 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 12 and name HN)  (resid 43 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 13 and name HA)  ((resid 13 and name HB3) or (resid 13 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 13 and name HA)  (resid 13 and name HD1%) 5.0 3.2 2.4 weight   .12000E+01
assi (resid 13 and name HA)  (resid 13 and name HD2%) 5.0 3.2 2.4 weight   .12000E+01
assi (resid 13 and name HA)  (resid 13 and name HG) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 13 and name HA)  (resid 13 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi (resid 13 and name HA)  (resid 14 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi (resid 13 and name HA)  (resid 42 and name HA) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 13 and name HA)  (resid 42 and name HG2%) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 13 and name HB3) or (resid 13 and name HB2))  (resid 13 and name HN) 3.0 1.2 0.6 weight   .12000E+01
assi (resid 13 and name HD1%)  (resid 13 and name HN) 5.0 3.2 2.4 weight   .12000E+01
assi (resid 13 and name HD1%)  (resid 14 and name HN) 5.0 3.2 2.4 weight   .12000E+01
assi (resid 13 and name HD2%)  (resid 13 and name HN) 5.0 3.2 2.4 weight   .12000E+01
assi (resid 13 and name HD2%)  (resid 14 and name HN) 5.0 3.2 2.4 weight   .12000E+01
!  0523  assi (resid 13 and name HG)  ((resid 8 and name HG3) or (resid 8 and name HG2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 13 and name HG)  (resid 13 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi ((resid 14 and name HA2) or (resid 14 and name HA1))  (resid 14 and name HN) 3.0 3.2 1.0 weight   .12000E+01
assi (resid 14 and name HN)  (resid 42 and name HA) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 15 and name HA)  ((resid 15 and name HB3) or (resid 15 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 15 and name HA)  ((resid 15 and name HD3) or (resid 15 and name HD2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 15 and name HA)  (resid 15 and name HE#) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 15 and name HA)  ((resid 15 and name HG3) or (resid 15 and name HG2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 15 and name HA)  (resid 15 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 15 and name HA)  ((resid 43 and name HB3) or (resid 43 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 15 and name HA)  (resid 43 and name HE1) 3.0 1.2 0.0 weight   .12000E+01
assi ((resid 15 and name HB3) or (resid 15 and name HB2))  (resid 15 and name HN) 3.0 3.2 0.6 weight   .12000E+01
assi ((resid 15 and name HB3) or (resid 15 and name HB2))  (resid 43 and name HE1) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 15 and name HE#)  ((resid 15 and name HB3) or (resid 15 and name HB2)) 3.0 1.2 2.0 weight   .12000E+01
assi ((resid 15 and name HG3) or (resid 15 and name HG2))  (resid 15 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 15 and name HG3) or (resid 15 and name HG2))  (resid 43 and name HE1) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 17 and name HB)  ((resid 20 and name HB3) or (resid 20 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 17 and name HB)  ((resid 20 and name HG3) or (resid 20 and name HG2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 17 and name HB)  (resid 43 and name HD2) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 17 and name HB)  (resid 43 and name HE1) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 17 and name HG2%)  (resid 17 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 17 and name HN)  (resid 20 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 18 and name HB)  (resid 18 and name HG2%) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 18 and name HB)  (resid 18 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 18 and name HB)  (resid 19 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 18 and name HG2%)  (resid 18 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 18 and name HG2%)  (resid 19 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 18 and name HG2%)  (resid 20 and name HA) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 19 and name HA)  ((resid 19 and name HB3) or (resid 19 and name HB2) 3.0 1.2 1.0 weight   .12000E+01
assi (resid 19 and name HA)  (resid 19 and name HD1%) 5.0 3.2 2.4 weight   .12000E+01
assi (resid 19 and name HA)  (resid 19 and name HD2%) 5.0 3.2 2.4 weight   .12000E+01
assi (resid 19 and name HA)  (resid 19 and name HG) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 19 and name HA)  (resid 19 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi (resid 19 and name HA)  (resid 22 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi ((resid 19 and name HB3) or (resid 19 and name HB2)  (resid 19 and name HN) 3.0 1.2 0.6 weight   .12000E+01
assi ((resid 19 and name HB3) or (resid 19 and name HB2)  (resid 20 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 19 and name HD1%)  (resid 19 and name HN) 5.0 3.2 2.4 weight   .12000E+01
assi (resid 19 and name HD2%)  (resid 19 and name HN) 5.0 3.2 2.4 weight   .12000E+01
assi (resid 19 and name HD2%)  (resid 20 and name HN) 5.0 3.2 2.4 weight   .12000E+01
assi (resid 19 and name HN)  (resid 18 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 19 and name HN)  (resid 20 and name HN) 3.0 3.2 0.0 weight   .12000E+01
assi (resid 20 and name HA)  ((resid 20 and name HB3) or (resid 20 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 20 and name HA)  ((resid 20 and name HG3) or (resid 20 and name HG2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 20 and name HA)  (resid 20 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 20 and name HA)  (resid 21 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 20 and name HA)  (resid 23 and name HA) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 20 and name HA)  (resid 23 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 20 and name HA)  (resid 24 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi ((resid 20 and name HB3) or (resid 20 and name HB2))  (resid 17 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 20 and name HB3) or (resid 20 and name HB2))  (resid 20 and name HN) 3.0 1.2 0.6 weight   .12000E+01
assi ((resid 20 and name HB3) or (resid 20 and name HB2))  (resid 21 and name HN) 5.0 3.2 1.0 weight   .12000E+01
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assi ((resid 20 and name HG3) or (resid 20 and name HG2))  (resid 17 and name HN) 5.0 3.2 1.0 weight   .12000E+01
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assi (resid 42 and name HG2%)  (resid 14 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 42 and name HG2%)  (resid 42 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 42 and name HG2%)  (resid 43 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 43 and name HA)  ((resid 43 and name HB3) or (resid 43 and name HB2)) 3.0 3.2 1.0 weight   .12000E+01
assi (resid 43 and name HA)  (resid 43 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 43 and name HA)  (resid 44 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi ((resid 43 and name HB3) or (resid 43 and name HB2))  (resid 43 and name HD2) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 43 and name HB3) or (resid 43 and name HB2))  (resid 43 and name HE1) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 43 and name HB3) or (resid 43 and name HB2))  (resid 44 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 44 and name HA)  (resid 43 and name HD2) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 44 and name HA)  ((resid 44 and name HB3) or (resid 44 and name HB2)) 3.0 1.2 1.0 weight   .12000E+01
assi (resid 44 and name HA)  (resid 44 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 44 and name HA)  (resid 45 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi ((resid 44 and name HB3) or (resid 44 and name HB2))  (resid 7 and name HG2%) 5.0 3.2 2.0 weight   .12000E+01
assi ((resid 44 and name HB3) or (resid 44 and name HB2))  (resid 44 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 44 and name HB3) or (resid 44 and name HB2))  (resid 45 and name HN) 3.0 1.2 1.0 weight   .12000E+01
assi (resid 44 and name HN)  (resid 43 and name HD2) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 45 and name HA)  (resid 36 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 45 and name HA)  ((resid 45 and name HB3) or (resid 45 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 45 and name HA)  (resid 45 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 45 and name HA)  (resid 46 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi ((resid 45 and name HB3) or (resid 45 and name HB2))  (resid 45 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 46 and name HA)  ((resid 46 and name HB3) or (resid 46 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 46 and name HA)  (resid 46 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 46 and name HA)  (resid 48 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi ((resid 46 and name HB3) or (resid 46 and name HB2))  (resid 34 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 46 and name HB3) or (resid 46 and name HB2))  (resid 46 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 46 and name HB3) or (resid 46 and name HB2))  (resid 47 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 46 and name HB3) or (resid 46 and name HB2))  ((resid 36 and name HB3) or (resid 36 and name HB2)) 5.0 3.2 2.0 weight   .12000E+01
! 0512 assi (resid 47 and name HA)  (resid 7 and name HG2%) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 47 and name HA)  (resid 34 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 47 and name HA)  ((resid 47 and name HB3) or (resid 47 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 47 and name HA)  (resid 47 and name HN) 3.0 1.2 0.0 weight   .12000E+01
assi ((resid 47 and name HB3) or (resid 47 and name HB2))  (resid 47 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 47 and name HB3) or (resid 47 and name HB2))  (resid 48 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 47 and name HB3) or (resid 47 and name HB2))  (resid 49 and name HN) 5.0 3.2 1.0 weight   .12000E+01
!! assi ((resid 47 and name HB3) or (resid 47 and name HB2))  ((resid 50 and name HB3) or (resid 50 and name HB2)) 3.0 1.2 2.0 weight   .12000E+01
assi ((resid 47 and name HB3) or (resid 47 and name HB2))  ((resid 6 and name HB3) or (resid 6 and name HB2)) 3.0 1.2 2.0 weight   .12000E+01
assi (resid 48 and name HA)  ((resid 48 and name HB3) or (resid 48 and name HB2)) 3.0 1.2 1.0 weight   .12000E+01
assi (resid 48 and name HA)  ((resid 48 and name HG3) or (resid 48 and name HG2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 48 and name HA)  (resid 48 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 48 and name HA)  ((resid 49 and name HB3) or (resid 49 and name HB2)) 3.0 3.2 1.0 weight   .12000E+01
assi (resid 48 and name HA)  (resid 49 and name HN) 5.0 3.2 0.0 weight   .12000E+01
!! assi (resid 48 and name HA)  (resid 50 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 48 and name HA)  (resid 6 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi ((resid 48 and name HB3) or (resid 48 and name HB2))  (resid 48 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 48 and name HB3) or (resid 48 and name HB2))  (resid 49 and name HN) 5.0 3.2 1.0 weight   .12000E+01
!! assi ((resid 48 and name HB3) or (resid 48 and name HB2))  (resid 50 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 48 and name HB3) or (resid 48 and name HB2))  (resid 6 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 48 and name HN)  (resid 47 and name HA) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 49 and name HA)  ((resid 49 and name HB3) or (resid 49 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 49 and name HA)  (resid 49 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi ((resid 49 and name HB3) or (resid 49 and name HB2))  (resid 49 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 49 and name HN)  (resid 48 and name HN) 5.0 3.2 0.0 weight   .12000E+01
!! assi (resid 50 and name HA)  (resid 47 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 6 and name HA)  (resid 47 and name HN) 5.0 3.2 0.0 weight   .12000E+01
!! assi (resid 50 and name HA)  ((resid 50 and name HB3) or (resid 50 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
assi (resid 6 and name HA)  ((resid 6 and name HB3) or (resid 6 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
!! assi (resid 50 and name HA)  (resid 50 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 6 and name HA)  (resid 6 and name HN) 5.0 3.2 0.0 weight   .12000E+01
!! assi ((resid 50 and name HB3) or (resid 50 and name HB2))  (resid 50 and name HN) 5.0 3.2 0.6 weight   .12000E+01
 assi ((resid 6 and name HB3) or (resid 6 and name HB2))  (resid 6 and name HN) 5.0 3.2 0.6 weight   .12000E+01
!! assi ((resid 50 and name HB3) or (resid 50 and name HB2))  (resid 47 and name HN) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 6 and name HB3) or (resid 6 and name HB2))  (resid 47 and name HN) 5.0 3.2 1.0 weight   .12000E+01
!! assi ((resid 50 and name HB3) or (resid 50 and name HB2))  (resid 49 and name HN) 5.0 3.2 1.0 weight   .12000E+01
!! assi ((resid 6 and name HB3) or (resid 6 and name HB2))  (resid 49 and name HN) 5.0 3.2 1.0 weight   .12000E+01
!! assi (resid 50 and name HN)  (resid 47 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 6 and name HN)  (resid 47 and name HN) 5.0 3.2 0.0 weight   .12000E+01
assi (resid 42 and name HG2%)  ((resid 40 and name HB3) or (resid 40 and name HB2)) 5.0 3.2 0.0 weight   .12000E+01  ! 0512
!! assi (resid 47 and name HN)  ((resid 50 and name HB3) or (resid 50 and name HB2)) 5.0 3.2 0.0 weight   .12000E+01  ! 0513
assi (resid 47 and name HN)  ((resid 6 and name HB3) or (resid 6 and name HB2)) 5.0 3.2 0.0 weight   .12000E+01  ! 0513
assi (resid 47 and name HN)  ((resid 45 and name HB3) or (resid 45 and name HB2)) 5.0 3.2 0.0 weight   .12000E+01  ! 0513
assi (resid 30 and name HA)  ((resid 33 and name HB3) or (resid 33 and name HB2)) 5.0 3.2 0.0 weight   .12000E+01  ! 0514
assi (resid 7 and name HG2%)  ((resid 44 and name HB3) or (resid 44 and name HB2)) 5.0 3.2 0.0 weight   .12000E+01  ! 0514
! assi ((resid 23 and name HD2) or (resid 23 and name HD2)) ((resid 44 and name HB3) or (resid 44 and name HB2)) 5.0 3.2 0.0 weight   .12000E+01  ! 0514
assi ((resid 23 and name HG2) or (resid 23 and name HG2)) ((resid 44 and name HB3) or (resid 44 and name HB2)) 5.0 3.2 0.0 weight   .12000E+01  ! 0514
assi ((resid 50 and name HB3) or (resid 50 and name HB2))  (resid 50 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 14 and name HA1) or (resid 14 and name HA2))  (resid 15 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 49 and name HA1) or (resid 49 and name HA2))  (resid 50 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 49 and name HA) (resid 50 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 5 and name HA) (resid 5 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 4 and name HN) ((resid 5 and name HB3) or (resid 5 and name HB2)) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 4 and name HN) ((resid 5 and name HG3) or (resid 5 and name HG2)) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 4 and name HA) (resid 4 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 5 and name HN) ((resid 4 and name HB3) or (resid 4 and name HB2)) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 5 and name HN) ((resid 4 and name HG3) or (resid 4 and name HG2)) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 16 and name HA) (resid 16 and name HN) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 16 and name HN) ((resid 16 and name HB3) or (resid 16 and name HB2)) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 43 and name HE1) ((resid 16 and name HG3) or (resid 16 and name HG2)) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 12 and name HD3) or (resid 12 and name HD2)) ((resid 23 and name HG3) or (resid 23 and name HG2)) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 44 and name HB3) or (resid 44 and name HB2)) (resid 10 and name HA) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 4 and name HG3) or (resid 4 and name HG2))((resid 30 and name HG3) or (resid 30 and name HG2)) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 4 and name HB3) or (resid 4 and name HB2))((resid 30 and name HG3) or (resid 30 and name HG2)) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 11 and name HB3) or (resid 11 and name HB2))((resid 23 and name HD3) or (resid 23 and name HD2)) 5.0 3.2 0.6 weight   .12000E+01
assi ((resid 11 and name HD3) or (resid 11 and name HD2))((resid 23 and name HD3) or (resid 23 and name HD2)) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 10 and name HA) ((resid 44 and name HB3) or (resid 44 and name HB2))  5.0 3.2 0.6 weight   .12000E+01
assi ((resid 5 and name HG3) or (resid 5 and name HG2))((resid 8 and name HD3) or (resid 8 and name HD2))  5.0 3.2 0.6 weight   .12000E+01
assi ((resid 11 and name HG3) or (resid 11 and name HG2))((resid 27 and name HD1%) or (resid 27 and name HD2%))  5.0 3.2 0.6 weight   .12000E+01
assi (resid 9 and name HN)(resid 7 and name HG2%) 5.0 3.2 0.6 weight   .12000E+01
assi (resid 10 and name HA)(resid 7 and name HG2%) 5.0 3.2 0.6 weight   .12000E+01
 ASSI {    6}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.100      .600      .600 peak     6 spectrum    1 weight   .10000E+01 volume   .91845E-02 ppm1      8.267 ppm2      4.857 CV
 OR {    6}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 OR {    6}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI {    7}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.500      .800      .800 peak     7 spectrum    1 weight   .10000E+01 volume   .29048E-02 ppm1      8.269 ppm2      3.947 CV
 OR {    7}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI {   25}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
      2.400      .700      .700 peak    25 spectrum    1 weight   .10000E+01 volume   .43007E-02 ppm1      8.223 ppm2      1.605 CV
 OR {   25}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
 ASSI {   28}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA2 ))
      2.300      .700      .700 peak    28 spectrum    1 weight   .10000E+01 volume   .47016E-02 ppm1      8.182 ppm2      3.723 CV
 OR {   28}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA2 ))
 ASSI {   48}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
      2.300      .700      .700 peak    48 spectrum    1 weight   .10000E+01 volume   .46652E-02 ppm1      2.168 ppm2      4.003 CV
 OR {   48}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {   49}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
      2.200      .600      .600 peak    49 spectrum    1 weight   .10000E+01 volume   .71071E-02 ppm1      2.135 ppm2      4.001 CV
 OR {   49}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {   56}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.300      .700      .700 peak    56 spectrum    1 weight   .10000E+01 volume   .48838E-02 ppm1      1.923 ppm2      3.999 CV
 OR {   56}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {   58}
   (( segid "    " and resid 23   and name HE3 ))
   (( segid "    " and resid 23   and name HA  ))
      4.400     2.400     1.600 peak    58 spectrum    1 weight   .10000E+01 volume   .11481E-03 ppm1      2.888 ppm2      4.003 CV
 OR {   58}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {   84}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HA  ))
      2.400      .700      .700 peak    84 spectrum    1 weight   .10000E+01 volume   .45193E-02 ppm1      2.035 ppm2      4.454 CV
 OR {   84}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {   86}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.700      .900      .900 peak    86 spectrum    1 weight   .10000E+01 volume   .21540E-02 ppm1        1.6 ppm2       4.46 CV
 OR {   86}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 30   and name HA  ))
 OR {   86}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {   89}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB3 ))
      3.000     1.100     1.100 peak    89 spectrum    1 weight   .10000E+01 volume   .10861E-02 ppm1      8.556 ppm2       2.04 CV
 OR {   89}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI {  104}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      2.000     2.000     4.000 peak   104 spectrum    1 weight   .10000E+01 volume   .11043E-01 ppm1      1.175 ppm2       4.63 CV
 OR {  104}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  123}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.400      .700      .700 peak   123 spectrum    1 weight   .10000E+01 volume   .40455E-02 ppm1      8.437 ppm2      4.295 CV
 OR {  123}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  130}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600      .800      .800 peak   130 spectrum    1 weight   .10000E+01 volume   .28027E-02 ppm1      8.446 ppm2      1.951 CV
 OR {  130}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  140}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      2.700      .900      .900 peak   140 spectrum    1 weight   .10000E+01 volume   .22561E-02 ppm1      8.522 ppm2      2.953 CV
 OR {  140}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 12   and name HE2 ))
 ASSI {  144}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.500      .800      .800 peak   144 spectrum    1 weight   .10000E+01 volume   .30068E-02 ppm1      8.954 ppm2      2.485 CV
 OR {  144}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  150}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 46   and name HA  ))
      2.500      .800      .800 peak   150 spectrum    1 weight   .10000E+01 volume   .33859E-02 ppm1      2.971 ppm2      5.082 CV
 OR {  150}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  150}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  152}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 25   and name HE2 ))
      2.300     2.300     3.700 peak   152 spectrum    1 weight   .10000E+01 volume   .55763E-02 ppm1      7.198 ppm2      2.982 CV
 OR {  152}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 25   and name HE3 ))
 OR {  152}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 6    and name HB3 ))
 ASSI {  174}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.200      .600      .600 peak   174 spectrum    1 weight   .10000E+01 volume   .60501E-02 ppm1      7.974 ppm2      5.078 CV
 OR {  174}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  182}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.100      .600      .600 peak   182 spectrum    1 weight   .10000E+01 volume   .79818E-02 ppm1      9.023 ppm2      5.066 CV
 OR {  182}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  183}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.800     1.000     1.000 peak   183 spectrum    1 weight   .10000E+01 volume   .15453E-02 ppm1      8.627 ppm2      1.818 CV
 OR {  183}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  193}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     3.000     3.000 peak   193 spectrum    1 weight   .10000E+01 volume   .11481E-02 ppm1      8.812 ppm2      4.139 CV
 OR {  193}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  206}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
      2.600     2.600     3.400 peak   206 spectrum    1 weight   .10000E+01 volume   .23763E-02 ppm1      8.084 ppm2      1.563 CV
 OR {  206}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
 ASSI {  225}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.200      .600      .600 peak   225 spectrum    1 weight   .10000E+01 volume   .69249E-02 ppm1      8.958 ppm2      5.433 CV
 OR {  225}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI {  244}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HA  ))
      2.700      .900      .900 peak   244 spectrum    1 weight   .10000E+01 volume   .22123E-02 ppm1      2.628 ppm2      4.444 CV
 OR {  244}
   (( segid "    " and resid 30   and name HD3 ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  262}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.100      .500      .500 peak   262 spectrum    1 weight   .10000E+01 volume   .92573E-02 ppm1      8.457 ppm2      4.447 CV
 OR {  262}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  262}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  264}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
      2.400      .700      .700 peak   264 spectrum    1 weight   .10000E+01 volume   .38269E-02 ppm1      8.158 ppm2      4.459 CV
 OR {  264}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
 ASSI {  265}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.200      .600      .600 peak   265 spectrum    1 weight   .10000E+01 volume   .69249E-02 ppm1      8.521 ppm2      4.842 CV
 OR {  265}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  270}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      2.400      .700      .700 peak   270 spectrum    1 weight   .10000E+01 volume   .43736E-02 ppm1      8.248 ppm2      1.112 CV
 OR {  270}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG3 ))
 ASSI {  279}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   279 spectrum    1 weight   .10000E+01 volume   .17166E-02 ppm1      8.028 ppm2      4.186 CV
 OR {  279}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  281}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   281 spectrum    1 weight   .10000E+01 volume   .92942E-03 ppm1      8.026 ppm2          4 CV
 OR {  281}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  298}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.100     1.200     1.200 peak   298 spectrum    1 weight   .10000E+01 volume   .92210E-03 ppm1      7.957 ppm2      3.923 CV
 OR {  298}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI {  317}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.900     2.900     3.100 peak   317 spectrum    1 weight   .10000E+01 volume   .13194E-02 ppm1      8.269 ppm2      0.524 CV
 OR {  317}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  317}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  339}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG3 ))
      3.200     1.300     1.300 peak   339 spectrum    1 weight   .10000E+01 volume   .71071E-03 ppm1      8.441 ppm2      2.454 CV
 OR {  339}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG3 ))
 ASSI {  340}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      3.200     1.300     1.300 peak   340 spectrum    1 weight   .10000E+01 volume   .77630E-03 ppm1      8.441 ppm2      2.539 CV
 OR {  340}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
 ASSI {  362}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 12   and name HD2 ))
      3.000     1.200     1.200 peak   362 spectrum    1 weight   .10000E+01 volume   .97675E-03 ppm1      8.222 ppm2      1.337 CV
 OR {  362}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 12   and name HD3 ))
 OR {  362}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI {  403}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HD3 ))
      3.200     1.300     1.300 peak   403 spectrum    1 weight   .10000E+01 volume   .76902E-03 ppm1      8.556 ppm2      3.656 CV
 OR {  403}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HA1 ))
 ASSI {  406}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.900     2.900     3.100 peak   406 spectrum    1 weight   .10000E+01 volume   .12064E-02 ppm1      8.425 ppm2      2.882 CV
 OR {  406}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 23   and name HE3 ))
 ASSI {  411}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.800     2.800     3.200 peak   411 spectrum    1 weight   .10000E+01 volume   .15052E-02 ppm1      8.431 ppm2      1.872 CV
 OR {  411}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  411}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI {  418}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
      2.800     1.000     1.000 peak   418 spectrum    1 weight   .10000E+01 volume   .15125E-02 ppm1      8.372 ppm2      1.624 CV
 OR {  418}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI {  433}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
      2.900     1.100     1.100 peak   433 spectrum    1 weight   .10000E+01 volume   .12829E-02 ppm1      8.084 ppm2      1.425 CV
 OR {  433}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HD3 ))
 OR {  433}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG3 ))
 ASSI {  459}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
      3.200     3.200     2.800 peak   459 spectrum    1 weight   .10000E+01 volume   .73258E-03 ppm1      8.043 ppm2       3.13 CV
 OR {  459}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
 ASSI {  460}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      2.900     1.100     1.100 peak   460 spectrum    1 weight   .10000E+01 volume   .11991E-02 ppm1      8.043 ppm2      1.612 CV
 OR {  460}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 23   and name HG3 ))
 ASSI {  462}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      2.600      .800      .800 peak   462 spectrum    1 weight   .10000E+01 volume   .28538E-02 ppm1      8.662 ppm2      3.398 CV
 OR {  462}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
 ASSI {  467}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak   467 spectrum    1 weight   .10000E+01 volume   .93671E-03 ppm1      8.849 ppm2      2.632 CV
 OR {  467}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
 ASSI {  473}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 33   and name HB3 ))
      3.400     1.400     1.400 peak   473 spectrum    1 weight   .10000E+01 volume   .53576E-03 ppm1      2.624 ppm2      3.245 CV
 OR {  473}
   (( segid "    " and resid 30   and name HD3 ))
   (( segid "    " and resid 33   and name HB3 ))
 ASSI {  494}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HA  ))
      3.000     3.000     3.000 peak   494 spectrum    1 weight   .10000E+01 volume   .11006E-02 ppm1      3.991 ppm2      4.187 CV
 OR {  494}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  494}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  527}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 24   and name HB2 ))
      3.500     1.500     1.500 peak   527 spectrum    1 weight   .10000E+01 volume   .42278E-03 ppm1      7.193 ppm2      2.629 CV
 OR {  527}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 30   and name HD3 ))
 ASSI {  537}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.800     2.800     3.200 peak   537 spectrum    1 weight   .10000E+01 volume   .16766E-02 ppm1     10.035 ppm2      2.861 CV
 OR {  537}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 37   and name HB3 ))
 ASSI {  547}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 45   and name HB3 ))
      3.300     1.400     1.400 peak   547 spectrum    1 weight   .10000E+01 volume   .59407E-03 ppm1      6.696 ppm2       2.95 CV
 OR {  547}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 24   and name HB3 ))
 ASSI {  550}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      2.900     1.000     1.000 peak   550 spectrum    1 weight   .10000E+01 volume   .13995E-02 ppm1      1.218 ppm2      3.996 CV
 OR {  550}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  552}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 23   and name HB3 ))
      2.700     2.700     3.300 peak   552 spectrum    1 weight   .10000E+01 volume   .18406E-02 ppm1      0.863 ppm2      1.933 CV
 OR {  552}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 20   and name HG3 ))
 ASSI {  561}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      2.500     2.500     3.500 peak   561 spectrum    1 weight   .10000E+01 volume   .36228E-02 ppm1      3.999 ppm2      4.134 CV
 OR {  561}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  568}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.600     2.600     3.400 peak   568 spectrum    1 weight   .10000E+01 volume   .23144E-02 ppm1      1.117 ppm2      3.095 CV
 OR {  568}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 11   and name HD3 ))
 OR {  568}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  569}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     2.700     3.300 peak   569 spectrum    1 weight   .10000E+01 volume   .20993E-02 ppm1      8.358 ppm2      4.008 CV
 OR {  569}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 ASSI {  570}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.600      .800      .800 peak   570 spectrum    1 weight   .10000E+01 volume   .27480E-02 ppm1      8.223 ppm2      1.565 CV
 OR {  570}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
 OR {  570}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 11   and name HG3 ))
 ASSI {  572}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      2.600      .800      .800 peak   572 spectrum    1 weight   .10000E+01 volume   .26970E-02 ppm1      8.271 ppm2      2.975 CV
 OR {  572}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 12   and name HE3 ))
 ASSI {  573}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      3.100     1.200     1.200 peak   573 spectrum    1 weight   .10000E+01 volume   .93671E-03 ppm1       8.25 ppm2      2.958 CV
 OR {  573}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  573}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 12   and name HE2 ))
 ASSI {  581}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HG3 ))
      3.000     3.000     3.000 peak   581 spectrum    1 weight   .10000E+01 volume   .10569E-02 ppm1      7.974 ppm2      1.622 CV
 OR {  581}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  581}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {  593}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.500     1.500     1.500 peak   593 spectrum    1 weight   .10000E+01 volume   .45558E-03 ppm1      8.626 ppm2      4.303 CV
 OR {  593}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  599}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.000     2.000     4.000 peak   599 spectrum    1 weight   .10000E+01 volume   .13522E-01 ppm1      2.965 ppm2      3.278 CV
 OR {  599}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  599}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  599}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  599}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI {  600}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 23   and name HG2 ))
      3.000     1.100     1.100 peak   600 spectrum    1 weight   .10000E+01 volume   .10423E-02 ppm1      0.607 ppm2      1.555 CV
 OR {  600}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 23   and name HG2 ))
 OR {  600}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 11   and name HG3 ))
 ASSI {  621}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HB3 ))
      2.100      .500      .500 peak   621 spectrum    1 weight   .10000E+01 volume   .96586E-02 ppm1      2.653 ppm2      2.945 CV
 OR {  621}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI {  638}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
      1.900      .400      .400 peak   638 spectrum    1 weight   .10000E+01 volume   .19572E-01 ppm1      2.294 ppm2      2.148 CV
 OR {  638}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  638}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI {  643}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 48   and name HB3 ))
      2.600      .800      .800 peak   643 spectrum    1 weight   .10000E+01 volume   .26242E-02 ppm1      1.437 ppm2      1.921 CV
 OR {  643}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  646}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HB3 ))
      2.600      .800      .800 peak   646 spectrum    1 weight   .10000E+01 volume   .26242E-02 ppm1      1.494 ppm2      1.817 CV
 OR {  646}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  646}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  646}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI {  666}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      2.300      .700      .700 peak   666 spectrum    1 weight   .10000E+01 volume   .51025E-02 ppm1      2.216 ppm2      4.011 CV
 OR {  666}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  670}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     2.700     3.300 peak   670 spectrum    1 weight   .10000E+01 volume   .21831E-02 ppm1      1.948 ppm2       4.52 CV
 OR {  670}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  677}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 28   and name HD% )
      2.500      .800      .800 peak   677 spectrum    1 weight   .10000E+01 volume   .36228E-02 ppm1      2.969 ppm2      7.206 CV
 OR {  677}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 28   and name HD% )
 ASSI {  685}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 48   and name HB2 ))
      2.500     2.500     3.500 peak   685 spectrum    1 weight   .10000E+01 volume   .34004E-02 ppm1      2.155 ppm2      1.804 CV
 OR {  685}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  685}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 4    and name HB3 ))
 ASSI {  700}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
      3.100     1.200     1.200 peak   700 spectrum    1 weight   .10000E+01 volume   .80911E-03 ppm1      8.422 ppm2      1.423 CV
 OR {  700}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 23   and name HD2 ))
 OR {  700}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  700}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI {  710}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 43   and name HE1 ))
      2.900     2.900     3.100 peak   710 spectrum    1 weight   .10000E+01 volume   .13121E-02 ppm1      1.685 ppm2     10.035 CV
 OR {  710}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 43   and name HE1 ))
 ASSI {  713}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 29   and name HD3 ))
      3.300     1.400     1.400 peak   713 spectrum    1 weight   .10000E+01 volume   .57950E-03 ppm1      7.228 ppm2      3.667 CV
 OR {  713}
   (  segid "    " and resid 10   and name HD% )
   (( segid "    " and resid 9    and name HA2 ))
 ASSI {  718}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.000     1.200     1.200 peak   718 spectrum    1 weight   .10000E+01 volume   .97675E-03 ppm1      8.369 ppm2      4.846 CV
 OR {  718}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  719}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
      2.900     1.000     1.000 peak   719 spectrum    1 weight   .10000E+01 volume   .13302E-02 ppm1      2.968 ppm2      8.278 CV
 OR {  719}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  737}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG2 ))
      2.900     1.100     1.100 peak   737 spectrum    1 weight   .10000E+01 volume   .11918E-02 ppm1      8.344 ppm2      1.602 CV
 OR {  737}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  737}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {  746}
   (( segid "    " and resid 12   and name HD3 ))
   (( segid "    " and resid 12   and name HB3 ))
      2.500      .800      .800 peak   746 spectrum    1 weight   .10000E+01 volume   .30870E-02 ppm1      1.317 ppm2      1.624 CV
 OR {  746}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  746}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI {  747}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 14   and name HA2 ))
      3.400     1.400     1.400 peak   747 spectrum    1 weight   .10000E+01 volume   .55398E-03 ppm1       1.41 ppm2      3.721 CV
 OR {  747}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 14   and name HA2 ))
 OR {  747}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 44   and name HB2 ))
 OR {  747}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 44   and name HB3 ))
 ASSI {  748}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.500      .800      .800 peak   748 spectrum    1 weight   .10000E+01 volume   .31015E-02 ppm1      1.926 ppm2      4.127 CV
 OR {  748}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  750}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.300     1.300     1.300 peak   750 spectrum    1 weight   .10000E+01 volume   .62323E-03 ppm1       8.27 ppm2       3.72 CV
 OR {  750}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
 OR {  750}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 44   and name HB3 ))
 ASSI {  752}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 4    and name HB3 ))
      2.000      .500      .500 peak   752 spectrum    1 weight   .10000E+01 volume   .11408E-01 ppm1      1.609 ppm2      1.809 CV
 OR {  752}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  752}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  752}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  752}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 4    and name HB3 ))
 ASSI {  754}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HD3 ))
      2.100      .500      .500 peak   754 spectrum    1 weight   .10000E+01 volume   .10315E-01 ppm1      1.393 ppm2      1.636 CV
 OR {  754}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HG3 ))
 OR {  754}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HD2 ))
 OR {  754}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HD2 ))
 ASSI {  758}
   (( segid "    " and resid 23   and name HG2 ))
   (  segid "    " and resid 27   and name HD1%)
      3.200     1.300     1.300 peak   758 spectrum    1 weight   .10000E+01 volume   .70342E-03 ppm1      1.535 ppm2      0.754 CV
 OR {  758}
   (( segid "    " and resid 11   and name HG3 ))
   (  segid "    " and resid 27   and name HD1%)
 ASSI {  759}
   (( segid "    " and resid 23   and name HG2 ))
   (  segid "    " and resid 27   and name HD2%)
      3.200     1.300     1.300 peak   759 spectrum    1 weight   .10000E+01 volume   .69613E-03 ppm1      1.536 ppm2      0.709 CV
 OR {  759}
   (( segid "    " and resid 11   and name HG3 ))
   (  segid "    " and resid 27   and name HD2%)
assi ((resid 28 and name HD2 ) or (resid 28 and name HD1))(resid 24 and name HA) 5.0 3.2 0.0 weight   .12000E+01 
assi ((resid 28 and name HD2 ) or (resid 28 and name HD1))((resid 27 and name HB2) or (resid 27 and name HB3)) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 28 and name HD2 ) or (resid 28 and name HD1))(resid 27 and name HD1%) 5.0 3.2 2.4 weight   .12000E+01 
assi ((resid 28 and name HD2 ) or (resid 28 and name HD1))(resid 27 and name HD2%) 5.0 3.2 2.4 weight   .12000E+01 
assi ((resid 28 and name HD2 ) or (resid 28 and name HD1))(resid 27 and name HG) 5.0 3.2 0.0 weight   .12000E+01 
assi ((resid 28 and name HD2 ) or (resid 28 and name HD1))(resid 27 and name HN) 5.0 3.2 0.0 weight   .12000E+01 
assi ((resid 28 and name HD2 ) or (resid 28 and name HD1))(resid 28 and name HA) 3.0 1.2 2.0 weight   .12000E+01 
assi ((resid 28 and name HD2 ) or (resid 28 and name HD1))((resid 28 and name HB2) or (resid 28 and name HB3)) 3.0 1.2 1.0 weight   .12000E+01
assi ((resid 28 and name HD2 ) or (resid 28 and name HD1))(resid 28 and name HE%) 3.0 1.2 0.0 weight   .12000E+01 
assi ((resid 28 and name HD2 ) or (resid 28 and name HD1))(resid 28 and name HN) 5.0 3.2 0.0 weight   .12000E+01 
assi ((resid 28 and name HD2 ) or (resid 28 and name HD1))((resid 29 and name HD3) or (resid 29 and name HD2)) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 28 and name HD2 ) or (resid 28 and name HD1))((resid 33 and name HB3) or (resid 33 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01
assi ((resid 28 and name HE2 ) or (resid 28 and name HE1))(resid 24 and name HA) 5.0 3.2 0.0 weight   .12000E+01 
assi ((resid 28 and name HE2 ) or (resid 28 and name HE1))((resid 27 and name HB2) or (resid 27 and name HB2)) 5.0 3.2 1.0 weight   .12000E+01 
assi ((resid 28 and name HE2 ) or (resid 28 and name HE1))(resid 27 and name HD1%) 5.0 3.2 2.4 weight   .12000E+01 
assi ((resid 28 and name HE2 ) or (resid 28 and name HE1))(resid 27 and name HD2%) 5.0 3.2 2.4 weight   .12000E+01 
assi ((resid 28 and name HE2 ) or (resid 28 and name HE1))(resid 27 and name HG) 5.0 3.2 0.0 weight   .12000E+01 
assi ((resid 28 and name HE2 ) or (resid 28 and name HE1))(resid 27 and name HN) 5.0 3.2 0.0 weight   .12000E+01 
assi ((resid 28 and name HE2 ) or (resid 28 and name HE1))(resid 28 and name HA) 3.0 1.2 2.0 weight   .12000E+01 
assi ((resid 28 and name HE2 ) or (resid 28 and name HE1))((resid 28 and name HB2) or (resid 28 and name HB3)) 3.0 1.2 1.0 weight   .12000E+01 
assi ((resid 28 and name HE2 ) or (resid 28 and name HE1))((resid 29 and name HD2) or (resid 29 and name HD3)) 5.0 3.2 1.0 weight   .12000E+01 
assi ((resid 28 and name HE2 ) or (resid 28 and name HE1))((resid 33 and name HB2) or (resid 29 and name HD3)) 5.0 3.2 1.0 weight   .12000E+01 


!phi

assign (resid 7 and name C ) (resid 8 and name N )
  (resid 8 and name CA ) (resid 8 and name C ) 1 -125 25.0 2
assign (resid 27 and name C ) (resid 28 and name N )
  (resid 28 and name CA ) (resid 28 and name C ) 1 -125 25.0 2
assign (resid 32 and name C ) (resid 33 and name N )
  (resid 33 and name CA ) (resid 33 and name C ) 1 -125 25.0 2
assign (resid 34 and name C ) (resid 35 and name N )
  (resid 35 and name CA ) (resid 35 and name C ) 1 -125 25.0 2
assign (resid 37 and name C ) (resid 38 and name N )
  (resid 38 and name CA ) (resid 38 and name C ) 1 -125 25.0 2
assign (resid 39 and name C ) (resid 40 and name N )
  (resid 40 and name CA ) (resid 40 and name C ) 1 -125 25.0 2
assign (resid 41 and name C ) (resid 42 and name N )
  (resid 42 and name CA ) (resid 42 and name C ) 1 -125 25.0 2
assign (resid 44 and name C ) (resid 45 and name N )
  (resid 45 and name CA ) (resid 45 and name C ) 1 -125 25.0 2
assign (resid 45 and name C ) (resid 46 and name N )
  (resid 46 and name CA ) (resid 46 and name C ) 1 -125 25.0 2
assign (resid 47 and name C ) (resid 48 and name N )
  (resid 48 and name CA ) (resid 48 and name C ) 1 -125 25.0 2
assign (resid 48 and name C ) (resid 49 and name N )
  (resid 49 and name CA ) (resid 49 and name C ) 1 -60 25.0 2


!strand2
assign (resid 35 and name C ) (resid 36 and name N )
  (resid 36 and name CA ) (resid 36 and name C ) 1 -125 25.0 2
assign (resid 36 and name C ) (resid 37 and name N )
  (resid 37 and name CA ) (resid 37 and name C ) 1 -125 25.0 2

!strand3
assign (resid 42 and name C ) (resid 43 and name N )
  (resid 43 and name CA ) (resid 43 and name C ) 1 -125 25.0 2
assign (resid 43 and name C ) (resid 44 and name N )
  (resid 44 and name CA ) (resid 44 and name C ) 1 -125 25.0 2

!strand1
assign (resid 11 and name C ) (resid 12 and name N )
  (resid 12 and name CA ) (resid 12 and name C ) 1 -125 25.0 2
assign (resid 12 and name C ) (resid 13 and name N )
  (resid 13 and name CA ) (resid 13 and name C ) 1 -125 25.0 2

!a-helix
assign (resid 17 and name C ) (resid 18 and name N )
  (resid 18 and name CA ) (resid 18 and name C ) 1 -60 25.0 2

assign (resid 18 and name C ) (resid 19 and name N )
  (resid 19 and name CA ) (resid 19 and name C ) 1 -60 25.0 2

assign (resid 19 and name C ) (resid 20 and name N )
  (resid 20 and name CA ) (resid 20 and name C ) 1 -60 25.0 2

assign (resid 20 and name C ) (resid 21 and name N )
  (resid 21 and name CA ) (resid 21 and name C ) 1 -60 25.0 2

assign (resid 21 and name C ) (resid 22 and name N )
  (resid 22 and name CA ) (resid 22 and name C ) 1 -60 25.0 2

assign (resid 22 and name C ) (resid 23 and name N )
  (resid 23 and name CA ) (resid 23 and name C ) 1 -60 25.0 2

assign (resid 23 and name C ) (resid 24 and name N )
  (resid 24 and name CA ) (resid 24 and name C ) 1 -60 25.0 2

assign (resid 24 and name C ) (resid 25 and name N )
  (resid 25 and name CA ) (resid 25 and name C ) 1 -60 25.0 2

assign (resid 25 and name C ) (resid 26 and name N )
  (resid 26 and name CA ) (resid 26 and name C ) 1 -60 25.0 2

assign (resid 26 and name C ) (resid 27 and name N )
  (resid 27 and name CA ) (resid 27 and name C ) 1 -60 25.0 2


!CHI
assign (resid 28 and name N ) (resid 28 and name CA )
  (resid 28 and name CB ) (resid 28 and name CG ) 1 -60.0 25.0 2

assign (resid 33 and name N ) (resid 33 and name CA )
  (resid 33 and name CB ) (resid 33 and name CG ) 1 180.0 25.0 2

assign (resid 35 and name N ) (resid 35 and name CA )
  (resid 35 and name CB ) (resid 35 and name CG ) 1 180.0 25.0 2

!assign (resid 40 and name N ) (resid 40 and name CA )
!  (resid 40 and name CB ) (resid 40 and name CG ) 1 -60.0 25.0 2

assign (resid 41 and name N ) (resid 41 and name CA )
  (resid 41 and name CB ) (resid 41 and name CG ) 1 180.0 25.0 2

assign (resid 45 and name N ) (resid 45 and name CA )
  (resid 45 and name CB ) (resid 45 and name CG ) 1 -60.0 25.0 2

assign (resid 46 and name N ) (resid 46 and name CA )
  (resid 46 and name CB ) (resid 46 and name CG ) 1 180.0 25.0 2


!psi
!strand2
assign (resid 36 and name N ) (resid 36 and name CA )
  (resid 36 and name C ) (resid 37 and name N ) 1  130 35.0 2
assign (resid 37 and name N ) (resid 37 and name CA )
  (resid 37 and name C ) (resid 38 and name N ) 1  130 35.0 2

!strand3
!assign (resid 43 and name N ) (resid 43 and name CA )
!  (resid 43 and name C ) (resid 44 and name N ) 1  130 35.0 2
!assign (resid 44 and name N ) (resid 44 and name CA )
!  (resid 44 and name C ) (resid 45 and name N ) 1  130 35.0 2
assign (resid 42 and name N ) (resid 42 and name CA )
  (resid 42 and name C ) (resid 43 and name N ) 1  130 35.0 2

!strand1
assign (resid 12 and name N ) (resid 12 and name CA )
  (resid 12 and name C ) (resid 13 and name N ) 1  130 35.0 2
assign (resid 13 and name N ) (resid 13 and name CA )
  (resid 13 and name C ) (resid 14 and name N ) 1  130 35.0 2


!a-helix
assign (resid 19 and name N ) (resid 19 and name CA )
  (resid 19 and name C ) (resid 20 and name N ) 1  -50 35.0 2
assign (resid 20 and name N ) (resid 20 and name CA )
  (resid 20 and name C ) (resid 21 and name N ) 1  -50 35.0 2
assign (resid 21 and name N ) (resid 21 and name CA )
  (resid 21 and name C ) (resid 22 and name N ) 1  -50 35.0 2
assign (resid 22 and name N ) (resid 22 and name CA )
  (resid 22 and name C ) (resid 23 and name N ) 1  -50 35.0 2
assign (resid 23 and name N ) (resid 23 and name CA )
  (resid 23 and name C ) (resid 24 and name N ) 1  -50 35.0 2
assign (resid 24 and name N ) (resid 24 and name CA )
  (resid 24 and name C ) (resid 25 and name N ) 1  -50 35.0 2
assign (resid 25 and name N ) (resid 25 and name CA )
  (resid 25 and name C ) (resid 26 and name N ) 1  -50 35.0 2
assign (resid 26 and name N ) (resid 26 and name CA )
  (resid 26 and name C ) (resid 27 and name N ) 1  -50 35.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASN   1          1H        ASN   1  -5.592  17.951 -10.491
    2   2H    ASN   1          2H        ASN   1  -6.874  18.892  -9.917
    3   3H    ASN   1          3H        ASN   1  -7.103  17.874 -11.248
    4    HA   ASN   1           HA       ASN   1  -6.453  16.956  -8.506
    5   1HB   ASN   1          2HB       ASN   1  -8.992  17.554  -9.909
    6   2HB   ASN   1          3HB       ASN   1  -8.952  16.033  -9.023
    7   1HD2  ASN   1          1HD2      ASN   1  -9.346  16.083  -6.924
    8   2HD2  ASN   1          2HD2      ASN   1  -9.378  17.502  -5.939
    9    H    LEU   2           HN       LEU   2  -7.594  14.594  -8.484
   10    HA   LEU   2           HA       LEU   2  -7.401  12.416  -9.094
   11   1HB   LEU   2          2HB       LEU   2  -8.137  13.814 -11.449
   12   2HB   LEU   2          3HB       LEU   2  -6.941  12.618 -11.908
   13    HG   LEU   2           HG       LEU   2  -8.491  11.026 -10.456
   14   1HD1  LEU   2          1HD1      LEU   2  -9.991  12.882  -9.798
   15   2HD1  LEU   2          2HD1      LEU   2 -10.439  13.078 -11.492
   16   3HD1  LEU   2          3HD1      LEU   2 -10.823  11.579 -10.647
   17   1HD2  LEU   2          1HD2      LEU   2  -9.895  11.153 -12.862
   18   2HD2  LEU   2          2HD2      LEU   2  -8.267  11.710 -13.247
   19   3HD2  LEU   2          3HD2      LEU   2  -8.505  10.134 -12.492
   20    H    MET   3           HN       MET   3  -5.926  10.797 -10.140
   21    HA   MET   3           HA       MET   3  -3.849   9.899 -10.318
   22   1HB   MET   3          2HB       MET   3  -3.763  12.388 -11.885
   23   2HB   MET   3          3HB       MET   3  -2.187  11.775 -11.404
   24   1HG   MET   3          2HG       MET   3  -4.234  10.038 -12.738
   25   2HG   MET   3          3HG       MET   3  -3.095  11.026 -13.651
   26   1HE   MET   3          1HE       MET   3  -2.608   9.000 -14.847
   27   2HE   MET   3          2HE       MET   3  -1.292   7.910 -14.412
   28   3HE   MET   3          3HE       MET   3  -2.948   7.524 -13.943
   29    H    LYS   4           HN       LYS   4  -3.455   9.740  -8.094
   30    HA   LYS   4           HA       LYS   4  -1.894  11.907  -6.882
   31   1HB   LYS   4          2HB       LYS   4  -3.185   9.501  -5.580
   32   2HB   LYS   4          3HB       LYS   4  -2.337  10.791  -4.737
   33   1HG   LYS   4          2HG       LYS   4  -4.369  11.674  -4.480
   34   2HG   LYS   4          3HG       LYS   4  -4.184  12.193  -6.157
   35   1HD   LYS   4          2HD       LYS   4  -5.083   9.520  -6.220
   36   2HD   LYS   4          3HD       LYS   4  -6.075  10.366  -5.029
   37   1HE   LYS   4          2HE       LYS   4  -5.576  11.291  -7.857
   38   2HE   LYS   4          3HE       LYS   4  -7.030  10.463  -7.301
   39   1HZ   LYS   4          1HZ       LYS   4  -7.263  12.350  -5.667
   40   2HZ   LYS   4          2HZ       LYS   4  -7.534  12.742  -7.290
   41   3HZ   LYS   4          3HZ       LYS   4  -6.072  13.162  -6.550
   42    H    ARG   5           HN       ARG   5  -1.736   8.515  -5.950
   43    HA   ARG   5           HA       ARG   5   0.640   7.844  -7.286
   44   1HB   ARG   5          2HB       ARG   5   1.006   9.539  -5.008
   45   2HB   ARG   5          3HB       ARG   5   1.669   7.951  -4.645
   46   1HG   ARG   5          2HG       ARG   5   3.226   8.068  -6.365
   47   2HG   ARG   5          3HG       ARG   5   2.340   9.341  -7.209
   48   1HD   ARG   5          2HD       ARG   5   3.221  10.026  -4.490
   49   2HD   ARG   5          3HD       ARG   5   4.523   9.751  -5.646
   50    HE   ARG   5           HE       ARG   5   3.540  11.502  -7.022
   51   1HH1  ARG   5          2HH1      ARG   5   2.480  11.294  -3.708
   52   2HH1  ARG   5          1HH1      ARG   5   1.961  12.946  -3.637
   53   1HH2  ARG   5          2HH2      ARG   5   2.859  13.677  -6.936
   54   2HH2  ARG   5          1HH2      ARG   5   2.175  14.298  -5.470
   55    H    CYS   6           HN       CYS   6  -1.912   6.689  -6.471
   56    HA   CYS   6           HA       CYS   6  -1.891   4.936  -4.376
   57   1HB   CYS   6          2HB       CYS   6  -3.336   3.454  -5.745
   58   2HB   CYS   6          3HB       CYS   6  -3.816   5.144  -5.831
   59    H    THR   7           HN       THR   7  -0.427   3.514  -3.706
   60    HA   THR   7           HA       THR   7   1.195   1.931  -3.665
   61    HB   THR   7           HB       THR   7   0.843   0.037  -4.880
   62    HG1  THR   7           1HG      THR   7   0.570   0.003  -7.085
   63   1HG2  THR   7          1HG2      THR   7  -1.385   0.897  -4.087
   64   2HG2  THR   7          2HG2      THR   7  -1.461  -0.242  -5.431
   65   3HG2  THR   7          3HG2      THR   7  -1.664   1.484  -5.727
   66    H    ARG   8           HN       ARG   8   3.199   1.174  -4.638
   67    HA   ARG   8           HA       ARG   8   4.359   3.186  -6.444
   68   1HB   ARG   8          2HB       ARG   8   5.415   1.653  -4.126
   69   2HB   ARG   8          3HB       ARG   8   6.527   1.945  -5.456
   70   1HG   ARG   8          2HG       ARG   8   6.615   4.183  -5.079
   71   2HG   ARG   8          3HG       ARG   8   4.976   4.250  -4.426
   72   1HD   ARG   8          2HD       ARG   8   6.191   4.553  -2.513
   73   2HD   ARG   8          3HD       ARG   8   6.032   2.802  -2.508
   74    HE   ARG   8           HE       ARG   8   8.291   2.617  -2.907
   75   1HH1  ARG   8          2HH1      ARG   8   7.284   5.927  -3.325
   76   2HH1  ARG   8          1HH1      ARG   8   8.900   6.541  -3.429
   77   1HH2  ARG   8          2HH2      ARG   8  10.423   3.415  -3.048
   78   2HH2  ARG   8          1HH2      ARG   8  10.684   5.112  -3.277
   79    H    GLY   9           HN       GLY   9   2.758   0.925  -7.199
   80   1HA   GLY   9          1HA       GLY   9   3.198  -0.140  -9.383
   81   2HA   GLY   9          2HA       GLY   9   4.750  -0.638  -8.719
   82    H    PHE  10           HN       PHE  10   2.097  -0.682  -6.570
   83    HA   PHE  10           HA       PHE  10   0.950  -2.342  -5.520
   84   1HB   PHE  10          2HB       PHE  10   0.474  -2.756  -8.147
   85   2HB   PHE  10          3HB       PHE  10   1.265  -4.276  -7.748
   86    HD1  PHE  10           1HD      PHE  10  -1.801  -2.714  -8.026
   87    HD2  PHE  10           2HD      PHE  10   0.344  -5.333  -5.447
   88    HE1  PHE  10           1HE      PHE  10  -3.927  -3.573  -7.137
   89    HE2  PHE  10           2HE      PHE  10  -1.780  -6.196  -4.552
   90    HZ   PHE  10           HZ       PHE  10  -3.919  -5.317  -5.398
   91    H    ARG  11           HN       ARG  11   2.557  -2.758  -3.935
   92    HA   ARG  11           HA       ARG  11   3.692  -5.378  -4.143
   93   1HB   ARG  11          2HB       ARG  11   6.045  -4.610  -3.717
   94   2HB   ARG  11          3HB       ARG  11   5.433  -4.265  -5.326
   95   1HG   ARG  11          2HG       ARG  11   5.963  -2.138  -5.052
   96   2HG   ARG  11          3HG       ARG  11   4.814  -2.034  -3.715
   97   1HD   ARG  11          2HD       ARG  11   6.456  -1.909  -2.225
   98   2HD   ARG  11          3HD       ARG  11   7.227  -3.355  -2.881
   99    HE   ARG  11           HE       ARG  11   7.859  -1.344  -4.636
  100   1HH1  ARG  11          2HH1      ARG  11   8.298  -1.911  -1.226
  101   2HH1  ARG  11          1HH1      ARG  11   9.764  -0.995  -1.132
  102   1HH2  ARG  11          2HH2      ARG  11   9.791  -0.136  -4.520
  103   2HH2  ARG  11          1HH2      ARG  11  10.614   0.013  -3.003
  104    H    LYS  12           HN       LYS  12   1.909  -4.765  -2.328
  105    HA   LYS  12           HA       LYS  12   3.418  -4.378   0.176
  106   1HB   LYS  12          2HB       LYS  12   0.494  -3.825  -0.419
  107   2HB   LYS  12          3HB       LYS  12   1.200  -3.753   1.187
  108   1HG   LYS  12          2HG       LYS  12   0.945  -1.529   0.190
  109   2HG   LYS  12          3HG       LYS  12   2.636  -1.916   0.505
  110   1HD   LYS  12          2HD       LYS  12   3.089  -2.252  -1.776
  111   2HD   LYS  12          3HD       LYS  12   1.377  -2.360  -2.184
  112   1HE   LYS  12          2HE       LYS  12   1.058  -0.043  -1.883
  113   2HE   LYS  12          3HE       LYS  12   2.608   0.140  -1.063
  114   1HZ   LYS  12          1HZ       LYS  12   2.972   0.947  -3.199
  115   2HZ   LYS  12          2HZ       LYS  12   2.095  -0.296  -3.937
  116   3HZ   LYS  12          3HZ       LYS  12   3.609  -0.620  -3.258
  117    H    LEU  13           HN       LEU  13   2.669  -5.810   2.012
  118    HA   LEU  13           HA       LEU  13   1.138  -8.146   1.165
  119   1HB   LEU  13          2HB       LEU  13   3.011  -9.635   2.089
  120   2HB   LEU  13          3HB       LEU  13   3.182  -8.969   0.476
  121    HG   LEU  13           HG       LEU  13   4.370  -7.113   2.251
  122   1HD1  LEU  13          1HD1      LEU  13   6.215  -8.846   2.992
  123   2HD1  LEU  13          2HD1      LEU  13   4.801  -8.523   3.995
  124   3HD1  LEU  13          3HD1      LEU  13   4.846  -9.958   2.972
  125   1HD2  LEU  13          1HD2      LEU  13   5.597  -7.077   0.399
  126   2HD2  LEU  13          2HD2      LEU  13   6.388  -8.544   0.971
  127   3HD2  LEU  13          3HD2      LEU  13   4.995  -8.656  -0.105
  128    H    GLY  14           HN       GLY  14   0.537  -9.600   2.833
  129   1HA   GLY  14          1HA       GLY  14   0.392 -10.276   5.110
  130   2HA   GLY  14          2HA       GLY  14   0.949  -8.683   5.592
  131    H    LYS  15           HN       LYS  15  -1.737  -9.774   3.498
  132    HA   LYS  15           HA       LYS  15  -3.854  -8.810   3.347
  133   1HB   LYS  15          2HB       LYS  15  -3.489 -10.652   5.543
  134   2HB   LYS  15          3HB       LYS  15  -4.805  -9.536   5.883
  135   1HG   LYS  15          2HG       LYS  15  -5.846 -10.142   3.746
  136   2HG   LYS  15          3HG       LYS  15  -4.535 -11.284   3.448
  137   1HD   LYS  15          2HD       LYS  15  -5.527 -11.842   6.026
  138   2HD   LYS  15          3HD       LYS  15  -6.930 -11.644   4.974
  139   1HE   LYS  15          2HE       LYS  15  -5.011 -13.165   3.557
  140   2HE   LYS  15          3HE       LYS  15  -5.140 -13.853   5.175
  141   1HZ   LYS  15          1HZ       LYS  15  -6.933 -14.890   4.403
  142   2HZ   LYS  15          2HZ       LYS  15  -7.010 -13.933   3.010
  143   3HZ   LYS  15          3HZ       LYS  15  -7.723 -13.394   4.445
  144    H    CYS  16           HN       CYS  16  -3.343  -6.559   3.329
  145    HA   CYS  16           HA       CYS  16  -3.341  -4.405   4.064
  146   1HB   CYS  16          2HB       CYS  16  -5.739  -5.690   5.068
  147   2HB   CYS  16          3HB       CYS  16  -5.234  -4.371   6.119
  148    H    THR  17           HN       THR  17  -1.270  -5.640   5.052
  149    HA   THR  17           HA       THR  17  -1.022  -5.743   7.863
  150    HB   THR  17           HB       THR  17   0.697  -6.068   5.522
  151    HG1  THR  17           1HG      THR  17   0.441  -7.186   8.115
  152   1HG2  THR  17          1HG2      THR  17   2.827  -5.673   6.635
  153   2HG2  THR  17          2HG2      THR  17   1.991  -5.069   8.067
  154   3HG2  THR  17          3HG2      THR  17   1.899  -4.175   6.550
  155    H    THR  18           HN       THR  18   0.209  -4.337   9.243
  156    HA   THR  18           HA       THR  18  -0.465  -1.646   9.095
  157    HB   THR  18           HB       THR  18   1.495  -3.204  10.710
  158    HG1  THR  18           1HG      THR  18  -0.916  -2.034  11.012
  159   1HG2  THR  18          1HG2      THR  18   2.984  -1.535  10.822
  160   2HG2  THR  18          2HG2      THR  18   1.752  -0.620  11.693
  161   3HG2  THR  18          3HG2      THR  18   1.921  -0.432   9.946
  162    H    LEU  19           HN       LEU  19   2.650  -3.202   8.359
  163    HA   LEU  19           HA       LEU  19   4.049  -0.948   7.547
  164   1HB   LEU  19          2HB       LEU  19   4.547  -3.660   7.652
  165   2HB   LEU  19          3HB       LEU  19   4.611  -3.323   5.933
  166    HG   LEU  19           HG       LEU  19   6.818  -3.223   7.118
  167   1HD1  LEU  19          1HD1      LEU  19   7.215  -0.750   6.180
  168   2HD1  LEU  19          2HD1      LEU  19   7.042  -2.161   5.136
  169   3HD1  LEU  19          3HD1      LEU  19   5.662  -1.100   5.421
  170   1HD2  LEU  19          1HD2      LEU  19   6.786  -0.640   8.137
  171   2HD2  LEU  19          2HD2      LEU  19   5.320  -1.389   8.772
  172   3HD2  LEU  19          3HD2      LEU  19   6.890  -2.141   9.058
  173    H    GLU  20           HN       GLU  20   1.535  -2.707   5.962
  174    HA   GLU  20           HA       GLU  20   2.090  -1.625   3.365
  175   1HB   GLU  20          2HB       GLU  20   0.729  -3.262   2.691
  176   2HB   GLU  20          3HB       GLU  20   0.492  -3.711   4.372
  177   1HG   GLU  20          2HG       GLU  20  -1.666  -3.443   3.706
  178   2HG   GLU  20          3HG       GLU  20  -1.322  -1.819   4.295
  179    H    GLU  21           HN       GLU  21  -0.278  -0.983   5.940
  180    HA   GLU  21           HA       GLU  21  -1.563   1.145   4.560
  181   1HB   GLU  21          2HB       GLU  21  -2.719   1.577   6.580
  182   2HB   GLU  21          3HB       GLU  21  -2.488  -0.164   6.537
  183   1HG   GLU  21          2HG       GLU  21  -1.075  -0.164   8.303
  184   2HG   GLU  21          3HG       GLU  21  -0.425   1.430   7.926
  185    H    GLU  22           HN       GLU  22   1.316   0.816   6.414
  186    HA   GLU  22           HA       GLU  22   1.699   3.609   6.945
  187   1HB   GLU  22          2HB       GLU  22   3.102   1.081   7.493
  188   2HB   GLU  22          3HB       GLU  22   4.165   2.449   7.207
  189   1HG   GLU  22          2HG       GLU  22   2.042   3.213   8.973
  190   2HG   GLU  22          3HG       GLU  22   2.845   1.762   9.572
  191    H    LYS  23           HN       LYS  23   2.698   1.250   4.545
  192    HA   LYS  23           HA       LYS  23   4.667   2.713   3.214
  193   1HB   LYS  23          2HB       LYS  23   4.445   0.463   2.567
  194   2HB   LYS  23          3HB       LYS  23   2.708   0.604   2.337
  195   1HG   LYS  23          2HG       LYS  23   3.058   0.899   0.166
  196   2HG   LYS  23          3HG       LYS  23   3.944   2.388   0.532
  197   1HD   LYS  23          2HD       LYS  23   5.412   1.022  -0.705
  198   2HD   LYS  23          3HD       LYS  23   5.959   0.934   0.964
  199   1HE   LYS  23          2HE       LYS  23   4.298  -1.151   0.959
  200   2HE   LYS  23          3HE       LYS  23   4.720  -1.142  -0.753
  201   1HZ   LYS  23          1HZ       LYS  23   7.024  -1.338  -0.202
  202   2HZ   LYS  23          2HZ       LYS  23   6.184  -2.553   0.623
  203   3HZ   LYS  23          3HZ       LYS  23   6.706  -1.174   1.454
  204    H    CYS  24           HN       CYS  24   1.176   2.562   2.732
  205    HA   CYS  24           HA       CYS  24   1.058   4.457   0.635
  206   1HB   CYS  24          2HB       CYS  24  -1.213   3.833   2.499
  207   2HB   CYS  24          3HB       CYS  24  -1.270   4.221   0.782
  208    H    LYS  25           HN       LYS  25   0.849   4.752   4.141
  209    HA   LYS  25           HA       LYS  25  -0.067   7.476   4.024
  210   1HB   LYS  25          2HB       LYS  25   0.333   5.459   6.063
  211   2HB   LYS  25          3HB       LYS  25   0.937   7.026   6.583
  212   1HG   LYS  25          2HG       LYS  25  -1.330   6.830   7.289
  213   2HG   LYS  25          3HG       LYS  25  -1.267   8.007   5.975
  214   1HD   LYS  25          2HD       LYS  25  -1.754   5.196   5.200
  215   2HD   LYS  25          3HD       LYS  25  -3.054   6.005   6.078
  216   1HE   LYS  25          2HE       LYS  25  -1.735   6.976   3.543
  217   2HE   LYS  25          3HE       LYS  25  -3.343   6.261   3.673
  218   1HZ   LYS  25          1HZ       LYS  25  -2.413   8.902   4.594
  219   2HZ   LYS  25          2HZ       LYS  25  -3.761   8.178   5.315
  220   3HZ   LYS  25          3HZ       LYS  25  -3.769   8.517   3.658
  221    H    THR  26           HN       THR  26   2.839   6.150   5.573
  222    HA   THR  26           HA       THR  26   4.237   8.486   5.858
  223    HB   THR  26           HB       THR  26   6.225   7.199   6.145
  224    HG1  THR  26           1HG      THR  26   4.941   5.457   4.380
  225   1HG2  THR  26          1HG2      THR  26   4.019   6.763   7.593
  226   2HG2  THR  26          2HG2      THR  26   5.540   5.927   7.905
  227   3HG2  THR  26          3HG2      THR  26   4.271   5.129   6.977
  228    H    LEU  27           HN       LEU  27   4.200   6.371   2.968
  229    HA   LEU  27           HA       LEU  27   6.131   8.081   1.665
  230   1HB   LEU  27          2HB       LEU  27   4.669   5.601   0.841
  231   2HB   LEU  27          3HB       LEU  27   5.581   6.546  -0.319
  232    HG   LEU  27           HG       LEU  27   7.503   6.273   1.470
  233   1HD1  LEU  27          1HD1      LEU  27   7.430   4.194   2.645
  234   2HD1  LEU  27          2HD1      LEU  27   5.984   5.115   3.058
  235   3HD1  LEU  27          3HD1      LEU  27   5.880   3.777   1.913
  236   1HD2  LEU  27          1HD2      LEU  27   6.888   3.853  -0.170
  237   2HD2  LEU  27          2HD2      LEU  27   7.223   5.397  -0.957
  238   3HD2  LEU  27          3HD2      LEU  27   8.431   4.664   0.099
  239    H    TYR  28           HN       TYR  28   2.642   7.441   1.430
  240    HA   TYR  28           HA       TYR  28   2.487   9.626  -0.545
  241   1HB   TYR  28          2HB       TYR  28   0.204   7.745  -0.102
  242   2HB   TYR  28          3HB       TYR  28   0.653   8.626  -1.551
  243    HD1  TYR  28           1HD      TYR  28  -0.163   5.732  -1.394
  244    HD2  TYR  28           2HD      TYR  28   3.676   7.558  -1.281
  245    HE1  TYR  28           1HE      TYR  28   0.835   3.678  -2.295
  246    HE2  TYR  28           2HE      TYR  28   4.677   5.515  -2.177
  247    HH   TYR  28           HH       TYR  28   2.696   2.661  -2.928
  248    HA   PRO  29           HA       PRO  29   0.324  11.658   2.865
  249   1HB   PRO  29          2HB       PRO  29   0.636  14.170   2.009
  250   2HB   PRO  29          3HB       PRO  29   2.002  13.261   2.668
  251   1HG   PRO  29          2HG       PRO  29   1.298  13.824  -0.183
  252   2HG   PRO  29          3HG       PRO  29   2.887  13.839   0.601
  253   1HD   PRO  29          2HD       PRO  29   1.885  11.740  -0.901
  254   2HD   PRO  29          3HD       PRO  29   3.169  11.591   0.314
  255    H    ARG  30           HN       ARG  30  -1.479  10.404   1.559
  256    HA   ARG  30           HA       ARG  30  -3.174  12.327   0.114
  257   1HB   ARG  30          2HB       ARG  30  -2.510   9.566  -0.315
  258   2HB   ARG  30          3HB       ARG  30  -4.247   9.721  -0.094
  259   1HG   ARG  30          2HG       ARG  30  -2.618  11.314  -2.067
  260   2HG   ARG  30          3HG       ARG  30  -3.537   9.858  -2.455
  261   1HD   ARG  30          2HD       ARG  30  -5.402  11.043  -2.671
  262   2HD   ARG  30          3HD       ARG  30  -5.213  11.701  -1.047
  263    HE   ARG  30           HE       ARG  30  -3.490  13.065  -2.794
  264   1HH1  ARG  30          2HH1      ARG  30  -6.892  12.712  -2.119
  265   2HH1  ARG  30          1HH1      ARG  30  -7.298  14.297  -2.684
  266   1HH2  ARG  30          2HH2      ARG  30  -4.019  15.154  -3.540
  267   2HH2  ARG  30          1HH2      ARG  30  -5.668  15.685  -3.490
  268    H    GLY  31           HN       GLY  31  -5.554  11.878   0.331
  269   1HA   GLY  31          1HA       GLY  31  -6.209  11.506   3.183
  270   2HA   GLY  31          2HA       GLY  31  -7.123  12.514   2.065
  271    H    GLN  32           HN       GLN  32  -6.659  10.300   0.015
  272    HA   GLN  32           HA       GLN  32  -8.835   8.546   0.932
  273   1HB   GLN  32          2HB       GLN  32  -8.180   8.847  -1.970
  274   2HB   GLN  32          3HB       GLN  32  -9.723   8.497  -1.204
  275   1HG   GLN  32          2HG       GLN  32 -10.190  10.700  -0.805
  276   2HG   GLN  32          3HG       GLN  32  -8.490  11.165  -0.759
  277   1HE2  GLN  32          1HE2      GLN  32  -9.065  12.911  -2.151
  278   2HE2  GLN  32          2HE2      GLN  32  -9.251  12.650  -3.849
  279    H    CYS  33           HN       CYS  33  -5.774   8.445   1.044
  280    HA   CYS  33           HA       CYS  33  -5.312   5.913  -0.365
  281   1HB   CYS  33          2HB       CYS  33  -3.678   7.864  -0.531
  282   2HB   CYS  33          3HB       CYS  33  -3.268   7.536   1.147
  283    H    THR  34           HN       THR  34  -4.488   4.089   0.741
  284    HA   THR  34           HA       THR  34  -3.943   3.916   3.463
  285    HB   THR  34           HB       THR  34  -6.353   4.620   3.610
  286    HG1  THR  34           1HG      THR  34  -6.775   3.089   5.268
  287   1HG2  THR  34          1HG2      THR  34  -7.833   3.584   2.301
  288   2HG2  THR  34          2HG2      THR  34  -7.645   2.155   3.318
  289   3HG2  THR  34          3HG2      THR  34  -6.664   2.338   1.864
  290    H    CYS  35           HN       CYS  35  -5.344   1.349   3.908
  291    HA   CYS  35           HA       CYS  35  -3.649  -0.279   2.173
  292   1HB   CYS  35          2HB       CYS  35  -3.529  -1.831   3.868
  293   2HB   CYS  35          3HB       CYS  35  -3.758  -0.366   4.808
  294    H    SER  36           HN       SER  36  -4.445  -1.571   0.650
  295    HA   SER  36           HA       SER  36  -7.291  -2.279   0.720
  296   1HB   SER  36          2HB       SER  36  -7.200  -1.887  -1.856
  297   2HB   SER  36          3HB       SER  36  -7.413  -0.503  -0.784
  298    HG   SER  36           HG       SER  36  -5.318  -1.145  -2.435
  299    H    ASP  37           HN       ASP  37  -7.615  -4.354   0.410
  300    HA   ASP  37           HA       ASP  37  -5.725  -5.908  -1.211
  301   1HB   ASP  37          2HB       ASP  37  -5.106  -6.286   1.122
  302   2HB   ASP  37          3HB       ASP  37  -6.772  -6.692   1.521
  303    H    SER  38           HN       SER  38  -6.631  -7.957  -1.976
  304    HA   SER  38           HA       SER  38  -9.512  -7.697  -2.454
  305   1HB   SER  38          2HB       SER  38  -7.299  -8.409  -4.107
  306   2HB   SER  38          3HB       SER  38  -8.374  -9.804  -4.004
  307    HG   SER  38           HG       SER  38 -10.007  -8.621  -4.854
  308    H    LYS  39           HN       LYS  39  -7.381 -10.539  -2.347
  309    HA   LYS  39           HA       LYS  39  -8.562 -11.654  -0.020
  310   1HB   LYS  39          2HB       LYS  39 -10.316 -11.893  -1.969
  311   2HB   LYS  39          3HB       LYS  39  -9.283 -13.228  -2.460
  312   1HG   LYS  39          2HG       LYS  39  -9.638 -14.360  -0.391
  313   2HG   LYS  39          3HG       LYS  39 -10.467 -12.961   0.293
  314   1HD   LYS  39          2HD       LYS  39 -12.016 -13.341  -1.841
  315   2HD   LYS  39          3HD       LYS  39 -11.436 -14.996  -1.639
  316   1HE   LYS  39          2HE       LYS  39 -13.185 -15.157  -0.226
  317   2HE   LYS  39          3HE       LYS  39 -12.074 -14.393   0.911
  318   1HZ   LYS  39          1HZ       LYS  39 -14.248 -13.308   0.865
  319   2HZ   LYS  39          2HZ       LYS  39 -14.047 -12.950  -0.776
  320   3HZ   LYS  39          3HZ       LYS  39 -13.019 -12.253   0.372
  321    H    MET  40           HN       MET  40  -5.959 -11.207  -0.794
  322    HA   MET  40           HA       MET  40  -4.932 -13.949  -0.879
  323   1HB   MET  40          2HB       MET  40  -3.807 -11.696  -2.554
  324   2HB   MET  40          3HB       MET  40  -3.180 -13.336  -2.464
  325   1HG   MET  40          2HG       MET  40  -5.308 -14.159  -3.410
  326   2HG   MET  40          3HG       MET  40  -5.840 -12.487  -3.586
  327   1HE   MET  40          1HE       MET  40  -4.747 -14.999  -6.397
  328   2HE   MET  40          2HE       MET  40  -6.152 -14.256  -5.630
  329   3HE   MET  40          3HE       MET  40  -5.465 -13.545  -7.092
  330    H    ASN  41           HN       ASN  41  -2.257 -13.441  -0.813
  331    HA   ASN  41           HA       ASN  41  -1.954 -12.330   1.855
  332   1HB   ASN  41          2HB       ASN  41  -0.911 -14.540   0.913
  333   2HB   ASN  41          3HB       ASN  41   0.310 -13.463   0.244
  334   1HD2  ASN  41          1HD2      ASN  41  -1.020 -14.860   3.108
  335   2HD2  ASN  41          2HD2      ASN  41   0.214 -14.329   4.195
  336    H    THR  42           HN       THR  42  -1.462 -11.353  -1.396
  337    HA   THR  42           HA       THR  42   0.229  -9.129  -0.461
  338    HB   THR  42           HB       THR  42   0.431  -9.047  -3.201
  339    HG1  THR  42           1HG      THR  42  -0.087 -11.003  -3.851
  340   1HG2  THR  42          1HG2      THR  42   2.119  -9.816  -0.928
  341   2HG2  THR  42          2HG2      THR  42   2.454  -8.723  -2.273
  342   3HG2  THR  42          3HG2      THR  42   2.650 -10.464  -2.481
  343    H    HIS  43           HN       HIS  43  -0.285  -7.095  -0.940
  344    HA   HIS  43           HA       HIS  43  -2.558  -6.412  -2.627
  345   1HB   HIS  43          2HB       HIS  43  -3.388  -4.972  -0.607
  346   2HB   HIS  43          3HB       HIS  43  -3.808  -6.682  -0.655
  347    HD1  HIS  43           1HD      HIS  43  -2.101  -8.244   0.742
  348    HD2  HIS  43           2HD      HIS  43  -2.117  -4.203   1.673
  349    HE1  HIS  43           1HE      HIS  43  -0.964  -8.053   2.953
  350    HE2  HIS  43           2HE      HIS  43  -1.071  -5.618   3.553
  351    H    SER  44           HN       SER  44  -2.852  -3.778  -1.995
  352    HA   SER  44           HA       SER  44  -0.292  -2.569  -1.520
  353   1HB   SER  44          2HB       SER  44  -0.097  -1.362  -3.634
  354   2HB   SER  44          3HB       SER  44  -0.031  -3.109  -3.891
  355    HG   SER  44           HG       SER  44  -2.425  -2.831  -4.269
  356    H    CYS  45           HN       CYS  45  -1.116  -0.074  -2.924
  357    HA   CYS  45           HA       CYS  45  -2.980   0.842  -0.858
  358   1HB   CYS  45          2HB       CYS  45  -1.310   2.533  -2.720
  359   2HB   CYS  45          3HB       CYS  45  -2.125   3.046  -1.243
  360    H    ASP  46           HN       ASP  46  -4.315   2.846  -1.648
  361    HA   ASP  46           HA       ASP  46  -5.316   2.562  -4.357
  362   1HB   ASP  46          2HB       ASP  46  -6.541   0.933  -2.728
  363   2HB   ASP  46          3HB       ASP  46  -7.345   2.391  -2.153
  364    H    CYS  47           HN       CYS  47  -3.952   4.674  -3.018
  365    HA   CYS  47           HA       CYS  47  -5.644   6.701  -2.060
  366   1HB   CYS  47          2HB       CYS  47  -3.423   7.694  -3.673
  367   2HB   CYS  47          3HB       CYS  47  -3.760   7.934  -1.963
  368    H    LYS  48           HN       LYS  48  -5.036   5.480  -5.194
  369    HA   LYS  48           HA       LYS  48  -6.922   7.408  -6.328
  370   1HB   LYS  48          2HB       LYS  48  -4.554   8.127  -6.816
  371   2HB   LYS  48          3HB       LYS  48  -4.364   6.638  -7.732
  372   1HG   LYS  48          2HG       LYS  48  -6.699   7.804  -8.716
  373   2HG   LYS  48          3HG       LYS  48  -5.555   9.134  -8.520
  374   1HD   LYS  48          2HD       LYS  48  -4.195   8.373 -10.153
  375   2HD   LYS  48          3HD       LYS  48  -4.454   6.682  -9.721
  376   1HE   LYS  48          2HE       LYS  48  -6.903   7.377 -10.674
  377   2HE   LYS  48          3HE       LYS  48  -5.848   8.373 -11.675
  378   1HZ   LYS  48          1HZ       LYS  48  -6.074   5.458 -11.539
  379   2HZ   LYS  48          2HZ       LYS  48  -4.557   6.119 -11.892
  380   3HZ   LYS  48          3HZ       LYS  48  -5.882   6.464 -12.886
  381    H    SER  49           HN       SER  49  -8.417   6.478  -7.515
  382    HA   SER  49           HA       SER  49  -8.800   3.753  -7.687
  383   1HB   SER  49          2HB       SER  49 -10.704   5.030  -8.113
  384   2HB   SER  49          3HB       SER  49  -9.869   6.068  -9.270
  385    HG   SER  49           HG       SER  49 -11.005   4.761 -10.556
  386    H    CYS  50           HN       CYS  50  -6.944   2.671  -8.339
  387    HA   CYS  50           HA       CYS  50  -6.424   2.766 -11.226
  388   1HB   CYS  50          2HB       CYS  50  -3.992   2.428 -10.754
  389   2HB   CYS  50          3HB       CYS  50  -4.599   3.997 -10.236
  Start of MODEL    2
    1   1H    ASN   1          1H        ASN   1  -0.072  16.595  -7.545
    2   2H    ASN   1          2H        ASN   1   1.213  17.657  -7.832
    3   3H    ASN   1          3H        ASN   1  -0.063  17.555  -8.938
    4    HA   ASN   1           HA       ASN   1   0.031  18.857  -6.314
    5   1HB   ASN   1          2HB       ASN   1  -0.123  19.625  -9.029
    6   2HB   ASN   1          3HB       ASN   1  -1.685  20.019  -8.316
    7   1HD2  ASN   1          1HD2      ASN   1   1.794  20.398  -7.842
    8   2HD2  ASN   1          2HD2      ASN   1   1.698  21.931  -7.051
    9    H    LEU   2           HN       LEU   2  -2.359  17.608  -8.652
   10    HA   LEU   2           HA       LEU   2  -4.302  17.437  -6.446
   11   1HB   LEU   2          2HB       LEU   2  -4.574  17.977  -9.365
   12   2HB   LEU   2          3HB       LEU   2  -5.894  17.171  -8.540
   13    HG   LEU   2           HG       LEU   2  -5.064  19.483  -7.038
   14   1HD1  LEU   2          1HD1      LEU   2  -6.008  21.092  -8.820
   15   2HD1  LEU   2          2HD1      LEU   2  -4.320  20.591  -8.936
   16   3HD1  LEU   2          3HD1      LEU   2  -5.536  19.843  -9.972
   17   1HD2  LEU   2          1HD2      LEU   2  -7.357  19.926  -6.985
   18   2HD2  LEU   2          2HD2      LEU   2  -7.646  19.109  -8.520
   19   3HD2  LEU   2          3HD2      LEU   2  -7.261  18.167  -7.078
   20    H    MET   3           HN       MET   3  -2.862  15.700  -9.147
   21    HA   MET   3           HA       MET   3  -4.371  13.290  -8.563
   22   1HB   MET   3          2HB       MET   3  -2.263  13.957 -10.614
   23   2HB   MET   3          3HB       MET   3  -2.921  12.338 -10.420
   24   1HG   MET   3          2HG       MET   3  -4.456  12.939 -11.902
   25   2HG   MET   3          3HG       MET   3  -5.172  13.899 -10.609
   26   1HE   MET   3          1HE       MET   3  -3.507  14.486 -14.364
   27   2HE   MET   3          2HE       MET   3  -5.022  13.820 -13.752
   28   3HE   MET   3          3HE       MET   3  -4.959  15.488 -14.321
   29    H    LYS   4           HN       LYS   4  -3.467  11.331  -7.877
   30    HA   LYS   4           HA       LYS   4  -0.853  11.586  -6.539
   31   1HB   LYS   4          2HB       LYS   4  -2.502   9.466  -5.461
   32   2HB   LYS   4          3HB       LYS   4  -1.741  10.816  -4.633
   33   1HG   LYS   4          2HG       LYS   4  -3.897  11.319  -4.183
   34   2HG   LYS   4          3HG       LYS   4  -3.767  12.130  -5.744
   35   1HD   LYS   4          2HD       LYS   4  -4.621  10.024  -6.805
   36   2HD   LYS   4          3HD       LYS   4  -4.931   9.407  -5.181
   37   1HE   LYS   4          2HE       LYS   4  -6.958  10.349  -6.135
   38   2HE   LYS   4          3HE       LYS   4  -6.424  11.304  -4.753
   39   1HZ   LYS   4          1HZ       LYS   4  -6.968  12.868  -6.365
   40   2HZ   LYS   4          2HZ       LYS   4  -6.272  11.978  -7.624
   41   3HZ   LYS   4          3HZ       LYS   4  -5.284  12.755  -6.494
   42    H    ARG   5           HN       ARG   5  -0.483   8.933  -5.841
   43    HA   ARG   5           HA       ARG   5  -0.674   7.388  -8.308
   44   1HB   ARG   5          2HB       ARG   5   1.789   6.777  -8.054
   45   2HB   ARG   5          3HB       ARG   5   1.429   8.373  -8.695
   46   1HG   ARG   5          2HG       ARG   5   1.884   9.377  -6.539
   47   2HG   ARG   5          3HG       ARG   5   2.160   7.783  -5.833
   48   1HD   ARG   5          2HD       ARG   5   4.230   9.083  -6.463
   49   2HD   ARG   5          3HD       ARG   5   4.119   7.449  -7.114
   50    HE   ARG   5           HE       ARG   5   3.103   9.466  -8.890
   51   1HH1  ARG   5          2HH1      ARG   5   5.954   7.768  -7.823
   52   2HH1  ARG   5          1HH1      ARG   5   6.823   8.039  -9.297
   53   1HH2  ARG   5          2HH2      ARG   5   4.240   9.826 -10.832
   54   2HH2  ARG   5          1HH2      ARG   5   5.849   9.209 -11.006
   55    H    CYS   6           HN       CYS   6  -2.159   6.162  -7.017
   56    HA   CYS   6           HA       CYS   6  -1.720   4.985  -4.572
   57   1HB   CYS   6          2HB       CYS   6  -3.197   3.103  -5.464
   58   2HB   CYS   6          3HB       CYS   6  -3.862   4.730  -5.556
   59    H    THR   7           HN       THR   7  -0.459   3.383  -3.783
   60    HA   THR   7           HA       THR   7   1.155   1.796  -3.650
   61    HB   THR   7           HB       THR   7   0.785  -0.129  -4.779
   62    HG1  THR   7           1HG      THR   7   0.560   1.456  -7.130
   63   1HG2  THR   7          1HG2      THR   7  -1.474  -0.343  -5.615
   64   2HG2  THR   7          2HG2      THR   7  -1.591   1.402  -5.839
   65   3HG2  THR   7          3HG2      THR   7  -1.469   0.728  -4.214
   66    H    ARG   8           HN       ARG   8   3.217   1.090  -4.434
   67    HA   ARG   8           HA       ARG   8   4.451   3.049  -6.240
   68   1HB   ARG   8          2HB       ARG   8   5.345   1.558  -3.868
   69   2HB   ARG   8          3HB       ARG   8   6.513   1.565  -5.182
   70   1HG   ARG   8          2HG       ARG   8   6.990   3.744  -4.924
   71   2HG   ARG   8          3HG       ARG   8   5.321   4.174  -4.538
   72   1HD   ARG   8          2HD       ARG   8   6.292   4.517  -2.497
   73   2HD   ARG   8          3HD       ARG   8   5.842   2.821  -2.340
   74    HE   ARG   8           HE       ARG   8   8.055   2.314  -2.188
   75   1HH1  ARG   8          2HH1      ARG   8   7.751   5.407  -3.768
   76   2HH1  ARG   8          1HH1      ARG   8   9.459   5.690  -3.821
   77   1HH2  ARG   8          2HH2      ARG   8  10.302   2.683  -2.252
   78   2HH2  ARG   8          1HH2      ARG   8  10.908   4.144  -2.958
   79    H    GLY   9           HN       GLY   9   2.814   0.895  -7.148
   80   1HA   GLY   9          1HA       GLY   9   3.224  -0.160  -9.310
   81   2HA   GLY   9          2HA       GLY   9   4.806  -0.634  -8.697
   82    H    PHE  10           HN       PHE  10   2.163  -0.794  -6.527
   83    HA   PHE  10           HA       PHE  10   1.057  -2.494  -5.510
   84   1HB   PHE  10          2HB       PHE  10   0.107  -2.958  -7.701
   85   2HB   PHE  10          3HB       PHE  10   1.539  -3.875  -8.152
   86    HD1  PHE  10           1HD      PHE  10   1.457  -6.160  -7.995
   87    HD2  PHE  10           2HD      PHE  10  -1.078  -3.825  -5.507
   88    HE1  PHE  10           1HE      PHE  10   0.417  -8.219  -7.135
   89    HE2  PHE  10           2HE      PHE  10  -2.126  -5.877  -4.639
   90    HZ   PHE  10           HZ       PHE  10  -1.377  -8.078  -5.453
   91    H    ARG  11           HN       ARG  11   2.610  -2.860  -3.900
   92    HA   ARG  11           HA       ARG  11   3.837  -5.426  -4.046
   93   1HB   ARG  11          2HB       ARG  11   6.163  -4.666  -3.656
   94   2HB   ARG  11          3HB       ARG  11   5.547  -4.221  -5.238
   95   1HG   ARG  11          2HG       ARG  11   6.065  -2.110  -4.842
   96   2HG   ARG  11          3HG       ARG  11   4.958  -2.094  -3.466
   97   1HD   ARG  11          2HD       ARG  11   6.670  -1.979  -2.060
   98   2HD   ARG  11          3HD       ARG  11   7.327  -3.480  -2.718
   99    HE   ARG  11           HE       ARG  11   8.346  -1.946  -4.477
  100   1HH1  ARG  11          2HH1      ARG  11   7.735  -0.968  -1.187
  101   2HH1  ARG  11          1HH1      ARG  11   8.998   0.218  -1.172
  102   1HH2  ARG  11          2HH2      ARG  11  10.007  -0.388  -4.464
  103   2HH2  ARG  11          1HH2      ARG  11  10.285   0.551  -3.035
  104    H    LYS  12           HN       LYS  12   1.992  -4.732  -2.286
  105    HA   LYS  12           HA       LYS  12   3.459  -4.340   0.242
  106   1HB   LYS  12          2HB       LYS  12   0.559  -3.762  -0.430
  107   2HB   LYS  12          3HB       LYS  12   1.212  -3.711   1.199
  108   1HG   LYS  12          2HG       LYS  12   1.032  -1.477   0.243
  109   2HG   LYS  12          3HG       LYS  12   2.713  -1.900   0.561
  110   1HD   LYS  12          2HD       LYS  12   3.207  -2.130  -1.701
  111   2HD   LYS  12          3HD       LYS  12   1.512  -2.337  -2.147
  112   1HE   LYS  12          2HE       LYS  12   1.256  -0.149  -2.459
  113   2HE   LYS  12          3HE       LYS  12   1.927   0.210  -0.868
  114   1HZ   LYS  12          1HZ       LYS  12   3.220   1.226  -2.644
  115   2HZ   LYS  12          2HZ       LYS  12   3.512  -0.291  -3.330
  116   3HZ   LYS  12          3HZ       LYS  12   4.144   0.081  -1.807
  117    H    LEU  13           HN       LEU  13   2.701  -5.767   2.064
  118    HA   LEU  13           HA       LEU  13   1.162  -8.095   1.210
  119   1HB   LEU  13          2HB       LEU  13   3.104  -9.519   2.258
  120   2HB   LEU  13          3HB       LEU  13   3.122  -9.045   0.570
  121    HG   LEU  13           HG       LEU  13   4.402  -6.967   1.985
  122   1HD1  LEU  13          1HD1      LEU  13   5.491  -9.670   2.756
  123   2HD1  LEU  13          2HD1      LEU  13   6.188  -8.097   3.145
  124   3HD1  LEU  13          3HD1      LEU  13   4.640  -8.573   3.843
  125   1HD2  LEU  13          1HD2      LEU  13   5.091  -9.033  -0.023
  126   2HD2  LEU  13          2HD2      LEU  13   5.225  -7.277  -0.107
  127   3HD2  LEU  13          3HD2      LEU  13   6.428  -8.212   0.783
  128    H    GLY  14           HN       GLY  14   0.534  -9.538   2.871
  129   1HA   GLY  14          1HA       GLY  14   0.409 -10.201   5.170
  130   2HA   GLY  14          2HA       GLY  14   0.906  -8.582   5.630
  131    H    LYS  15           HN       LYS  15  -1.698  -9.689   3.451
  132    HA   LYS  15           HA       LYS  15  -3.835  -8.794   3.269
  133   1HB   LYS  15          2HB       LYS  15  -3.495 -10.627   5.484
  134   2HB   LYS  15          3HB       LYS  15  -4.851  -9.542   5.767
  135   1HG   LYS  15          2HG       LYS  15  -4.715 -10.729   3.080
  136   2HG   LYS  15          3HG       LYS  15  -5.011 -11.859   4.402
  137   1HD   LYS  15          2HD       LYS  15  -6.596  -9.414   4.589
  138   2HD   LYS  15          3HD       LYS  15  -6.917 -10.348   3.125
  139   1HE   LYS  15          2HE       LYS  15  -6.915 -12.337   4.912
  140   2HE   LYS  15          3HE       LYS  15  -7.430 -11.018   5.962
  141   1HZ   LYS  15          1HZ       LYS  15  -8.776 -12.111   3.577
  142   2HZ   LYS  15          2HZ       LYS  15  -9.109 -10.538   4.104
  143   3HZ   LYS  15          3HZ       LYS  15  -9.403 -11.853   5.127
  144    H    CYS  16           HN       CYS  16  -3.367  -6.535   3.266
  145    HA   CYS  16           HA       CYS  16  -3.407  -4.383   4.012
  146   1HB   CYS  16          2HB       CYS  16  -5.809  -5.701   4.966
  147   2HB   CYS  16          3HB       CYS  16  -5.336  -4.386   6.039
  148    H    THR  17           HN       THR  17  -1.347  -5.614   5.017
  149    HA   THR  17           HA       THR  17  -1.144  -5.731   7.834
  150    HB   THR  17           HB       THR  17   0.541  -6.193   5.532
  151    HG1  THR  17           1HG      THR  17   1.453  -7.694   7.016
  152   1HG2  THR  17          1HG2      THR  17   2.718  -5.715   6.607
  153   2HG2  THR  17          2HG2      THR  17   1.873  -4.850   7.891
  154   3HG2  THR  17          3HG2      THR  17   1.812  -4.248   6.235
  155    H    THR  18           HN       THR  18   0.159  -4.364   9.207
  156    HA   THR  18           HA       THR  18  -0.490  -1.661   9.095
  157    HB   THR  18           HB       THR  18   1.455  -3.269  10.675
  158    HG1  THR  18           1HG      THR  18  -0.930  -2.416  11.057
  159   1HG2  THR  18          1HG2      THR  18   2.578  -1.435  11.637
  160   2HG2  THR  18          2HG2      THR  18   1.478  -0.269  10.901
  161   3HG2  THR  18          3HG2      THR  18   2.641  -1.136   9.898
  162    H    LEU  19           HN       LEU  19   2.622  -3.227   8.346
  163    HA   LEU  19           HA       LEU  19   4.034  -0.990   7.534
  164   1HB   LEU  19          2HB       LEU  19   4.470  -3.730   7.566
  165   2HB   LEU  19          3HB       LEU  19   4.580  -3.316   5.866
  166    HG   LEU  19           HG       LEU  19   6.756  -3.310   7.137
  167   1HD1  LEU  19          1HD1      LEU  19   5.879  -0.770   5.773
  168   2HD1  LEU  19          2HD1      LEU  19   7.554  -1.224   6.092
  169   3HD1  LEU  19          3HD1      LEU  19   6.568  -2.200   5.003
  170   1HD2  LEU  19          1HD2      LEU  19   7.112  -1.992   8.907
  171   2HD2  LEU  19          2HD2      LEU  19   6.293  -0.618   8.162
  172   3HD2  LEU  19          3HD2      LEU  19   5.354  -1.861   8.988
  173    H    GLU  20           HN       GLU  20   1.495  -2.705   5.928
  174    HA   GLU  20           HA       GLU  20   2.050  -1.577   3.345
  175   1HB   GLU  20          2HB       GLU  20   0.705  -3.218   2.648
  176   2HB   GLU  20          3HB       GLU  20   0.470  -3.690   4.323
  177   1HG   GLU  20          2HG       GLU  20  -1.690  -3.427   3.677
  178   2HG   GLU  20          3HG       GLU  20  -1.353  -1.798   4.259
  179    H    GLU  21           HN       GLU  21  -0.344  -1.006   5.917
  180    HA   GLU  21           HA       GLU  21  -1.665   1.118   4.578
  181   1HB   GLU  21          2HB       GLU  21  -2.812   1.507   6.604
  182   2HB   GLU  21          3HB       GLU  21  -2.511  -0.223   6.587
  183   1HG   GLU  21          2HG       GLU  21  -0.981  -0.117   8.284
  184   2HG   GLU  21          3HG       GLU  21  -0.555   1.559   7.943
  185    H    GLU  22           HN       GLU  22   1.241   0.823   6.396
  186    HA   GLU  22           HA       GLU  22   1.594   3.621   6.929
  187   1HB   GLU  22          2HB       GLU  22   3.048   1.107   7.448
  188   2HB   GLU  22          3HB       GLU  22   4.067   2.516   7.211
  189   1HG   GLU  22          2HG       GLU  22   1.894   3.150   8.973
  190   2HG   GLU  22          3HG       GLU  22   2.757   1.724   9.545
  191    H    LYS  23           HN       LYS  23   2.752   1.251   4.579
  192    HA   LYS  23           HA       LYS  23   4.674   2.732   3.252
  193   1HB   LYS  23          2HB       LYS  23   4.434   0.466   2.632
  194   2HB   LYS  23          3HB       LYS  23   2.714   0.644   2.317
  195   1HG   LYS  23          2HG       LYS  23   3.178   0.926   0.168
  196   2HG   LYS  23          3HG       LYS  23   4.073   2.397   0.575
  197   1HD   LYS  23          2HD       LYS  23   5.548   0.962  -0.609
  198   2HD   LYS  23          3HD       LYS  23   6.051   0.950   1.075
  199   1HE   LYS  23          2HE       LYS  23   4.278  -1.123   0.996
  200   2HE   LYS  23          3HE       LYS  23   5.013  -1.215  -0.605
  201   1HZ   LYS  23          1HZ       LYS  23   6.090  -2.441   1.393
  202   2HZ   LYS  23          2HZ       LYS  23   6.737  -0.921   1.757
  203   3HZ   LYS  23          3HZ       LYS  23   7.075  -1.649   0.268
  204    H    CYS  24           HN       CYS  24   1.184   2.624   2.775
  205    HA   CYS  24           HA       CYS  24   1.057   4.444   0.625
  206   1HB   CYS  24          2HB       CYS  24  -1.131   3.932   2.632
  207   2HB   CYS  24          3HB       CYS  24  -1.296   4.394   0.940
  208    H    LYS  25           HN       LYS  25   0.397   4.943   4.105
  209    HA   LYS  25           HA       LYS  25  -0.119   7.717   3.793
  210   1HB   LYS  25          2HB       LYS  25   0.211   5.848   6.068
  211   2HB   LYS  25          3HB       LYS  25   0.461   7.555   6.407
  212   1HG   LYS  25          2HG       LYS  25  -1.822   6.978   6.871
  213   2HG   LYS  25          3HG       LYS  25  -1.769   8.035   5.459
  214   1HD   LYS  25          2HD       LYS  25  -1.656   5.136   4.912
  215   2HD   LYS  25          3HD       LYS  25  -3.182   5.743   5.559
  216   1HE   LYS  25          2HE       LYS  25  -1.747   6.698   3.084
  217   2HE   LYS  25          3HE       LYS  25  -3.263   5.797   3.151
  218   1HZ   LYS  25          1HZ       LYS  25  -4.105   7.870   2.961
  219   2HZ   LYS  25          2HZ       LYS  25  -2.756   8.621   3.652
  220   3HZ   LYS  25          3HZ       LYS  25  -3.909   7.878   4.642
  221    H    THR  26           HN       THR  26   2.584   6.198   5.542
  222    HA   THR  26           HA       THR  26   4.137   8.393   5.958
  223    HB   THR  26           HB       THR  26   6.035   6.970   6.225
  224    HG1  THR  26           1HG      THR  26   6.339   5.378   4.879
  225   1HG2  THR  26          1HG2      THR  26   3.461   6.310   7.298
  226   2HG2  THR  26          2HG2      THR  26   5.047   6.185   8.059
  227   3HG2  THR  26          3HG2      THR  26   4.416   4.839   7.111
  228    H    LEU  27           HN       LEU  27   4.166   6.397   2.971
  229    HA   LEU  27           HA       LEU  27   6.213   8.103   1.847
  230   1HB   LEU  27          2HB       LEU  27   4.748   5.674   0.908
  231   2HB   LEU  27          3HB       LEU  27   5.647   6.653  -0.236
  232    HG   LEU  27           HG       LEU  27   7.582   6.343   1.538
  233   1HD1  LEU  27          1HD1      LEU  27   6.271   5.151   3.173
  234   2HD1  LEU  27          2HD1      LEU  27   5.820   3.936   1.974
  235   3HD1  LEU  27          3HD1      LEU  27   7.498   4.077   2.504
  236   1HD2  LEU  27          1HD2      LEU  27   8.436   4.558   0.204
  237   2HD2  LEU  27          2HD2      LEU  27   6.816   4.110  -0.329
  238   3HD2  LEU  27          3HD2      LEU  27   7.527   5.637  -0.853
  239    H    TYR  28           HN       TYR  28   2.740   7.570   1.416
  240    HA   TYR  28           HA       TYR  28   2.709   9.833  -0.475
  241   1HB   TYR  28          2HB       TYR  28   0.360   8.010  -0.172
  242   2HB   TYR  28          3HB       TYR  28   0.899   8.904  -1.581
  243    HD1  TYR  28           1HD      TYR  28  -0.015   6.013  -1.440
  244    HD2  TYR  28           2HD      TYR  28   3.861   7.756  -1.292
  245    HE1  TYR  28           1HE      TYR  28   0.943   3.939  -2.339
  246    HE2  TYR  28           2HE      TYR  28   4.829   5.686  -2.192
  247    HH   TYR  28           HH       TYR  28   3.296   2.801  -2.222
  248    HA   PRO  29           HA       PRO  29   0.524  11.796   2.959
  249   1HB   PRO  29          2HB       PRO  29   0.782  14.299   1.578
  250   2HB   PRO  29          3HB       PRO  29   1.675  13.742   2.990
  251   1HG   PRO  29          2HG       PRO  29   2.774  14.152   0.491
  252   2HG   PRO  29          3HG       PRO  29   3.476  13.128   1.755
  253   1HD   PRO  29          2HD       PRO  29   1.904  12.354  -0.661
  254   2HD   PRO  29          3HD       PRO  29   3.264  11.523   0.123
  255    H    ARG  30           HN       ARG  30  -1.215  10.466   1.624
  256    HA   ARG  30           HA       ARG  30  -2.994  12.299   0.180
  257   1HB   ARG  30          2HB       ARG  30  -2.257   9.558  -0.176
  258   2HB   ARG  30          3HB       ARG  30  -3.990   9.639   0.119
  259   1HG   ARG  30          2HG       ARG  30  -2.564  11.298  -1.951
  260   2HG   ARG  30          3HG       ARG  30  -3.318   9.739  -2.285
  261   1HD   ARG  30          2HD       ARG  30  -5.143  10.954  -2.754
  262   2HD   ARG  30          3HD       ARG  30  -5.327  11.058  -1.004
  263    HE   ARG  30           HE       ARG  30  -3.761  13.119  -2.365
  264   1HH1  ARG  30          2HH1      ARG  30  -6.679  12.178  -0.707
  265   2HH1  ARG  30          1HH1      ARG  30  -7.182  13.806  -0.399
  266   1HH2  ARG  30          2HH2      ARG  30  -4.416  15.264  -1.963
  267   2HH2  ARG  30          1HH2      ARG  30  -5.897  15.561  -1.116
  268    H    GLY  31           HN       GLY  31  -5.361  11.774   0.434
  269   1HA   GLY  31          1HA       GLY  31  -5.992  11.401   3.295
  270   2HA   GLY  31          2HA       GLY  31  -6.847  12.532   2.252
  271    H    GLN  32           HN       GLN  32  -6.493  10.360   0.094
  272    HA   GLN  32           HA       GLN  32  -8.812   8.746   0.911
  273   1HB   GLN  32          2HB       GLN  32  -8.167   8.967  -1.971
  274   2HB   GLN  32          3HB       GLN  32  -9.731   8.951  -1.167
  275   1HG   GLN  32          2HG       GLN  32  -8.178  11.351  -0.611
  276   2HG   GLN  32          3HG       GLN  32  -8.539  11.126  -2.322
  277   1HE2  GLN  32          1HE2      GLN  32  -9.529  13.129  -0.450
  278   2HE2  GLN  32          2HE2      GLN  32 -11.251  12.983  -0.459
  279    H    CYS  33           HN       CYS  33  -5.729   8.450   0.965
  280    HA   CYS  33           HA       CYS  33  -5.504   5.894  -0.461
  281   1HB   CYS  33          2HB       CYS  33  -3.732   7.735  -0.671
  282   2HB   CYS  33          3HB       CYS  33  -3.274   7.329   0.978
  283    H    THR  34           HN       THR  34  -4.523   4.072   0.662
  284    HA   THR  34           HA       THR  34  -4.042   3.900   3.384
  285    HB   THR  34           HB       THR  34  -6.451   4.576   3.529
  286    HG1  THR  34           1HG      THR  34  -5.390   3.363   5.207
  287   1HG2  THR  34          1HG2      THR  34  -7.597   1.987   3.099
  288   2HG2  THR  34          2HG2      THR  34  -6.779   2.510   1.627
  289   3HG2  THR  34          3HG2      THR  34  -8.024   3.527   2.352
  290    H    CYS  35           HN       CYS  35  -5.423   1.306   3.801
  291    HA   CYS  35           HA       CYS  35  -3.672  -0.278   2.081
  292   1HB   CYS  35          2HB       CYS  35  -3.586  -1.870   3.753
  293   2HB   CYS  35          3HB       CYS  35  -3.779  -0.403   4.695
  294    H    SER  36           HN       SER  36  -4.431  -1.429   0.459
  295    HA   SER  36           HA       SER  36  -7.274  -2.185   0.460
  296   1HB   SER  36          2HB       SER  36  -7.169  -1.816  -2.067
  297   2HB   SER  36          3HB       SER  36  -7.178  -0.368  -1.060
  298    HG   SER  36           HG       SER  36  -4.694  -1.440  -1.691
  299    H    ASP  37           HN       ASP  37  -7.609  -4.261   0.202
  300    HA   ASP  37           HA       ASP  37  -5.689  -5.882  -1.315
  301   1HB   ASP  37          2HB       ASP  37  -5.149  -6.232   1.037
  302   2HB   ASP  37          3HB       ASP  37  -6.837  -6.578   1.401
  303    H    SER  38           HN       SER  38  -6.603  -7.888  -2.129
  304    HA   SER  38           HA       SER  38  -9.483  -7.614  -2.621
  305   1HB   SER  38          2HB       SER  38  -7.258  -8.275  -4.289
  306   2HB   SER  38          3HB       SER  38  -8.353  -9.656  -4.248
  307    HG   SER  38           HG       SER  38 -10.009  -7.834  -4.579
  308    H    LYS  39           HN       LYS  39  -7.304 -10.426  -2.553
  309    HA   LYS  39           HA       LYS  39  -8.553 -11.635  -0.305
  310   1HB   LYS  39          2HB       LYS  39  -9.552 -13.566  -1.564
  311   2HB   LYS  39          3HB       LYS  39 -10.407 -12.043  -1.759
  312   1HG   LYS  39          2HG       LYS  39  -8.691 -11.953  -3.858
  313   2HG   LYS  39          3HG       LYS  39  -8.998 -13.685  -3.734
  314   1HD   LYS  39          2HD       LYS  39 -11.487 -12.990  -3.589
  315   2HD   LYS  39          3HD       LYS  39 -10.929 -11.454  -4.253
  316   1HE   LYS  39          2HE       LYS  39 -10.325 -14.117  -5.520
  317   2HE   LYS  39          3HE       LYS  39 -11.742 -13.154  -5.934
  318   1HZ   LYS  39          1HZ       LYS  39  -8.912 -12.635  -6.499
  319   2HZ   LYS  39          2HZ       LYS  39  -9.939 -11.309  -6.275
  320   3HZ   LYS  39          3HZ       LYS  39 -10.265 -12.434  -7.495
  321    H    MET  40           HN       MET  40  -5.924 -11.111  -0.949
  322    HA   MET  40           HA       MET  40  -4.834 -13.819  -1.007
  323   1HB   MET  40          2HB       MET  40  -4.054 -11.594  -2.878
  324   2HB   MET  40          3HB       MET  40  -2.949 -12.907  -2.497
  325   1HG   MET  40          2HG       MET  40  -4.435 -14.524  -3.428
  326   2HG   MET  40          3HG       MET  40  -5.704 -13.316  -3.627
  327   1HE   MET  40          1HE       MET  40  -4.348 -10.916  -6.152
  328   2HE   MET  40          2HE       MET  40  -5.770 -11.930  -6.395
  329   3HE   MET  40          3HE       MET  40  -5.427 -11.258  -4.800
  330    H    ASN  41           HN       ASN  41  -2.277 -13.526  -0.702
  331    HA   ASN  41           HA       ASN  41  -2.005 -12.253   1.858
  332   1HB   ASN  41          2HB       ASN  41  -0.950 -14.452   1.261
  333   2HB   ASN  41          3HB       ASN  41   0.142 -13.579   0.191
  334   1HD2  ASN  41          1HD2      ASN  41  -0.844 -14.020   3.524
  335   2HD2  ASN  41          2HD2      ASN  41   0.624 -13.445   4.232
  336    H    THR  42           HN       THR  42  -1.411 -11.341  -1.399
  337    HA   THR  42           HA       THR  42   0.259  -9.107  -0.458
  338    HB   THR  42           HB       THR  42   0.500  -9.018  -3.184
  339    HG1  THR  42           1HG      THR  42   0.878 -11.148  -3.855
  340   1HG2  THR  42          1HG2      THR  42   2.131  -9.775  -0.893
  341   2HG2  THR  42          2HG2      THR  42   2.544  -8.795  -2.301
  342   3HG2  THR  42          3HG2      THR  42   2.653 -10.554  -2.389
  343    H    HIS  43           HN       HIS  43  -0.244  -7.077  -0.934
  344    HA   HIS  43           HA       HIS  43  -2.481  -6.369  -2.655
  345   1HB   HIS  43          2HB       HIS  43  -3.336  -4.930  -0.647
  346   2HB   HIS  43          3HB       HIS  43  -3.766  -6.637  -0.702
  347    HD1  HIS  43           1HD      HIS  43  -2.002  -8.197   0.686
  348    HD2  HIS  43           2HD      HIS  43  -2.184  -4.179   1.692
  349    HE1  HIS  43           1HE      HIS  43  -0.939  -8.012   2.933
  350    HE2  HIS  43           2HE      HIS  43  -0.953  -5.562   3.481
  351    H    SER  44           HN       SER  44  -2.749  -3.730  -2.026
  352    HA   SER  44           HA       SER  44  -0.177  -2.561  -1.509
  353   1HB   SER  44          2HB       SER  44   0.026  -1.336  -3.631
  354   2HB   SER  44          3HB       SER  44   0.139  -3.084  -3.860
  355    HG   SER  44           HG       SER  44  -2.417  -2.049  -4.045
  356    H    CYS  45           HN       CYS  45  -0.987  -0.050  -2.949
  357    HA   CYS  45           HA       CYS  45  -2.829   0.885  -0.873
  358   1HB   CYS  45          2HB       CYS  45  -1.099   2.492  -2.760
  359   2HB   CYS  45          3HB       CYS  45  -2.021   3.123  -1.398
  360    H    ASP  46           HN       ASP  46  -4.169   2.892  -1.676
  361    HA   ASP  46           HA       ASP  46  -5.207   2.569  -4.366
  362   1HB   ASP  46          2HB       ASP  46  -6.424   0.938  -2.795
  363   2HB   ASP  46          3HB       ASP  46  -7.158   2.371  -2.081
  364    H    CYS  47           HN       CYS  47  -3.826   4.715  -3.164
  365    HA   CYS  47           HA       CYS  47  -5.481   6.742  -2.147
  366   1HB   CYS  47          2HB       CYS  47  -3.327   7.652  -3.931
  367   2HB   CYS  47          3HB       CYS  47  -3.638   8.056  -2.248
  368    H    LYS  48           HN       LYS  48  -5.063   5.462  -5.287
  369    HA   LYS  48           HA       LYS  48  -7.009   7.386  -6.339
  370   1HB   LYS  48          2HB       LYS  48  -4.463   7.704  -7.026
  371   2HB   LYS  48          3HB       LYS  48  -4.858   6.425  -8.164
  372   1HG   LYS  48          2HG       LYS  48  -6.950   8.098  -8.542
  373   2HG   LYS  48          3HG       LYS  48  -5.672   9.243  -8.131
  374   1HD   LYS  48          2HD       LYS  48  -5.250   9.112 -10.351
  375   2HD   LYS  48          3HD       LYS  48  -4.336   7.684  -9.859
  376   1HE   LYS  48          2HE       LYS  48  -7.144   7.094 -10.280
  377   2HE   LYS  48          3HE       LYS  48  -6.392   7.782 -11.719
  378   1HZ   LYS  48          1HZ       LYS  48  -5.581   5.772 -12.115
  379   2HZ   LYS  48          2HZ       LYS  48  -6.104   5.181 -10.620
  380   3HZ   LYS  48          3HZ       LYS  48  -4.595   5.933 -10.750
  381    H    SER  49           HN       SER  49  -8.590   6.505  -7.458
  382    HA   SER  49           HA       SER  49  -9.307   3.890  -7.363
  383   1HB   SER  49          2HB       SER  49 -10.937   5.423  -8.095
  384   2HB   SER  49          3HB       SER  49  -9.921   6.007  -9.412
  385    HG   SER  49           HG       SER  49 -10.535   4.378 -10.623
  386    H    CYS  50           HN       CYS  50  -7.686   2.413  -7.742
  387    HA   CYS  50           HA       CYS  50  -7.109   1.869 -10.542
  388   1HB   CYS  50          2HB       CYS  50  -4.700   1.639 -10.158
  389   2HB   CYS  50          3HB       CYS  50  -5.231   3.281  -9.816
  Start of MODEL    3
    1   1H    ASN   1          1H        ASN   1   2.828  19.601  -8.003
    2   2H    ASN   1          2H        ASN   1   2.511  18.055  -7.396
    3   3H    ASN   1          3H        ASN   1   2.398  19.402  -6.379
    4    HA   ASN   1           HA       ASN   1   0.201  18.794  -6.910
    5   1HB   ASN   1          2HB       ASN   1   1.411  21.258  -7.835
    6   2HB   ASN   1          3HB       ASN   1  -0.013  20.867  -8.793
    7   1HD2  ASN   1          1HD2      ASN   1  -1.632  22.038  -8.063
    8   2HD2  ASN   1          2HD2      ASN   1  -2.069  22.247  -6.405
    9    H    LEU   2           HN       LEU   2  -0.015  16.826  -7.986
   10    HA   LEU   2           HA       LEU   2  -0.802  17.038 -10.746
   11   1HB   LEU   2          2HB       LEU   2   1.820  16.017 -10.026
   12   2HB   LEU   2          3HB       LEU   2   0.871  14.818 -10.886
   13    HG   LEU   2           HG       LEU   2   0.554  17.202 -12.334
   14   1HD1  LEU   2          1HD1      LEU   2   2.878  17.454 -10.848
   15   2HD1  LEU   2          2HD1      LEU   2   3.430  16.896 -12.428
   16   3HD1  LEU   2          3HD1      LEU   2   2.451  18.359 -12.301
   17   1HD2  LEU   2          1HD2      LEU   2   1.446  14.506 -12.695
   18   2HD2  LEU   2          2HD2      LEU   2   0.759  15.620 -13.877
   19   3HD2  LEU   2          3HD2      LEU   2   2.499  15.604 -13.587
   20    H    MET   3           HN       MET   3   0.391  14.201  -8.996
   21    HA   MET   3           HA       MET   3  -2.362  13.299  -8.565
   22   1HB   MET   3          2HB       MET   3  -0.211  11.655  -9.914
   23   2HB   MET   3          3HB       MET   3  -1.781  11.045  -9.414
   24   1HG   MET   3          2HG       MET   3  -2.909  12.286 -11.039
   25   2HG   MET   3          3HG       MET   3  -1.527  13.343 -11.318
   26   1HE   MET   3          1HE       MET   3  -3.481  11.832 -13.200
   27   2HE   MET   3          2HE       MET   3  -2.238  12.484 -14.268
   28   3HE   MET   3          3HE       MET   3  -2.655  10.772 -14.343
   29    H    LYS   4           HN       LYS   4  -1.870  10.796  -7.570
   30    HA   LYS   4           HA       LYS   4  -0.136  11.341  -5.246
   31   1HB   LYS   4          2HB       LYS   4  -1.659   9.991  -3.912
   32   2HB   LYS   4          3HB       LYS   4  -2.549  11.290  -4.698
   33   1HG   LYS   4          2HG       LYS   4  -2.523   8.955  -6.364
   34   2HG   LYS   4          3HG       LYS   4  -3.114   8.558  -4.751
   35   1HD   LYS   4          2HD       LYS   4  -4.972   9.196  -6.128
   36   2HD   LYS   4          3HD       LYS   4  -4.700  10.452  -4.919
   37   1HE   LYS   4          2HE       LYS   4  -3.350  11.660  -6.697
   38   2HE   LYS   4          3HE       LYS   4  -4.018  10.502  -7.847
   39   1HZ   LYS   4          1HZ       LYS   4  -5.592  12.090  -8.022
   40   2HZ   LYS   4          2HZ       LYS   4  -5.318  12.716  -6.475
   41   3HZ   LYS   4          3HZ       LYS   4  -6.242  11.312  -6.668
   42    H    ARG   5           HN       ARG   5  -1.173   9.112  -7.688
   43    HA   ARG   5           HA       ARG   5  -0.282   7.212  -8.534
   44   1HB   ARG   5          2HB       ARG   5   1.821   8.574  -8.391
   45   2HB   ARG   5          3HB       ARG   5   2.141   7.813  -6.838
   46   1HG   ARG   5          2HG       ARG   5   2.789   5.875  -7.770
   47   2HG   ARG   5          3HG       ARG   5   1.590   5.976  -9.063
   48   1HD   ARG   5          2HD       ARG   5   2.953   7.610 -10.232
   49   2HD   ARG   5          3HD       ARG   5   4.129   7.597  -8.919
   50    HE   ARG   5           HE       ARG   5   3.603   5.329 -10.726
   51   1HH1  ARG   5          2HH1      ARG   5   5.693   7.122  -8.590
   52   2HH1  ARG   5          1HH1      ARG   5   7.078   6.131  -8.905
   53   1HH2  ARG   5          2HH2      ARG   5   5.420   4.018 -11.145
   54   2HH2  ARG   5          1HH2      ARG   5   6.924   4.365 -10.357
   55    H    CYS   6           HN       CYS   6  -1.997   6.206  -7.162
   56    HA   CYS   6           HA       CYS   6  -1.687   5.110  -4.665
   57   1HB   CYS   6          2HB       CYS   6  -3.143   3.189  -5.605
   58   2HB   CYS   6          3HB       CYS   6  -3.800   4.821  -5.652
   59    H    THR   7           HN       THR   7  -0.423   3.555  -3.769
   60    HA   THR   7           HA       THR   7   1.177   1.959  -3.549
   61    HB   THR   7           HB       THR   7   0.827  -0.020  -4.613
   62    HG1  THR   7           1HG      THR   7   0.089   1.106  -7.091
   63   1HG2  THR   7          1HG2      THR   7  -1.414   0.827  -4.007
   64   2HG2  THR   7          2HG2      THR   7  -1.457  -0.271  -5.386
   65   3HG2  THR   7          3HG2      THR   7  -1.591   1.469  -5.640
   66    H    ARG   8           HN       ARG   8   3.146   0.968  -4.602
   67    HA   ARG   8           HA       ARG   8   4.409   2.954  -6.374
   68   1HB   ARG   8          2HB       ARG   8   5.369   1.396  -4.046
   69   2HB   ARG   8          3HB       ARG   8   6.497   1.529  -5.388
   70   1HG   ARG   8          2HG       ARG   8   6.933   3.678  -4.964
   71   2HG   ARG   8          3HG       ARG   8   5.241   4.058  -4.634
   72   1HD   ARG   8          2HD       ARG   8   6.133   4.351  -2.549
   73   2HD   ARG   8          3HD       ARG   8   5.691   2.648  -2.463
   74    HE   ARG   8           HE       ARG   8   8.410   3.703  -2.828
   75   1HH1  ARG   8          2HH1      ARG   8   6.241   1.073  -2.104
   76   2HH1  ARG   8          1HH1      ARG   8   7.503   0.007  -1.582
   77   1HH2  ARG   8          2HH2      ARG   8  10.076   2.305  -2.143
   78   2HH2  ARG   8          1HH2      ARG   8   9.682   0.708  -1.602
   79    H    GLY   9           HN       GLY   9   2.701   0.867  -7.250
   80   1HA   GLY   9          1HA       GLY   9   3.019  -0.236  -9.390
   81   2HA   GLY   9          2HA       GLY   9   4.611  -0.730  -8.828
   82    H    PHE  10           HN       PHE  10   2.025  -0.836  -6.579
   83    HA   PHE  10           HA       PHE  10   0.921  -2.516  -5.527
   84   1HB   PHE  10          2HB       PHE  10  -0.071  -3.002  -7.694
   85   2HB   PHE  10          3HB       PHE  10   1.350  -3.928  -8.162
   86    HD1  PHE  10           1HD      PHE  10  -1.232  -3.841  -5.484
   87    HD2  PHE  10           2HD      PHE  10   1.273  -6.212  -7.970
   88    HE1  PHE  10           1HE      PHE  10  -2.275  -5.881  -4.580
   89    HE2  PHE  10           2HE      PHE  10   0.240  -8.257  -7.073
   90    HZ   PHE  10           HZ       PHE  10  -1.538  -8.093  -5.375
   91    H    ARG  11           HN       ARG  11   2.506  -2.869  -3.943
   92    HA   ARG  11           HA       ARG  11   3.717  -5.442  -4.082
   93   1HB   ARG  11          2HB       ARG  11   6.058  -4.663  -3.731
   94   2HB   ARG  11          3HB       ARG  11   5.414  -4.301  -5.325
   95   1HG   ARG  11          2HG       ARG  11   5.947  -2.176  -5.042
   96   2HG   ARG  11          3HG       ARG  11   4.837  -2.087  -3.671
   97   1HD   ARG  11          2HD       ARG  11   6.538  -1.914  -2.260
   98   2HD   ARG  11          3HD       ARG  11   7.215  -3.430  -2.859
   99    HE   ARG  11           HE       ARG  11   7.848  -0.750  -3.906
  100   1HH1  ARG  11          2HH1      ARG  11   8.603  -4.129  -3.514
  101   2HH1  ARG  11          1HH1      ARG  11  10.186  -3.987  -4.203
  102   1HH2  ARG  11          2HH2      ARG  11   9.932  -0.554  -4.812
  103   2HH2  ARG  11          1HH2      ARG  11  10.941  -1.956  -4.940
  104    H    LYS  12           HN       LYS  12   1.922  -4.740  -2.285
  105    HA   LYS  12           HA       LYS  12   3.450  -4.301   0.199
  106   1HB   LYS  12          2HB       LYS  12   0.519  -3.776  -0.387
  107   2HB   LYS  12          3HB       LYS  12   1.233  -3.672   1.213
  108   1HG   LYS  12          2HG       LYS  12   0.954  -1.467   0.167
  109   2HG   LYS  12          3HG       LYS  12   2.646  -1.835   0.503
  110   1HD   LYS  12          2HD       LYS  12   3.122  -2.204  -1.767
  111   2HD   LYS  12          3HD       LYS  12   1.415  -2.344  -2.188
  112   1HE   LYS  12          2HE       LYS  12   1.362  -0.179  -2.668
  113   2HE   LYS  12          3HE       LYS  12   1.797   0.197  -1.001
  114   1HZ   LYS  12          1HZ       LYS  12   3.853   0.741  -1.605
  115   2HZ   LYS  12          2HZ       LYS  12   3.298   0.741  -3.202
  116   3HZ   LYS  12          3HZ       LYS  12   4.044  -0.638  -2.569
  117    H    LEU  13           HN       LEU  13   2.749  -5.727   2.058
  118    HA   LEU  13           HA       LEU  13   1.236  -8.090   1.242
  119   1HB   LEU  13          2HB       LEU  13   3.182  -9.507   2.212
  120   2HB   LEU  13          3HB       LEU  13   3.250  -8.938   0.554
  121    HG   LEU  13           HG       LEU  13   4.484  -6.902   1.962
  122   1HD1  LEU  13          1HD1      LEU  13   4.462  -9.060   3.701
  123   2HD1  LEU  13          2HD1      LEU  13   6.060  -9.118   2.959
  124   3HD1  LEU  13          3HD1      LEU  13   5.523  -7.653   3.781
  125   1HD2  LEU  13          1HD2      LEU  13   5.190  -9.008   0.084
  126   2HD2  LEU  13          2HD2      LEU  13   5.694  -7.319   0.135
  127   3HD2  LEU  13          3HD2      LEU  13   6.544  -8.521   1.104
  128    H    GLY  14           HN       GLY  14   0.684  -9.552   2.922
  129   1HA   GLY  14          1HA       GLY  14   0.608 -10.212   5.215
  130   2HA   GLY  14          2HA       GLY  14   1.094  -8.587   5.669
  131    H    LYS  15           HN       LYS  15  -1.551  -9.841   3.617
  132    HA   LYS  15           HA       LYS  15  -3.692  -8.878   3.451
  133   1HB   LYS  15          2HB       LYS  15  -3.299 -10.861   5.524
  134   2HB   LYS  15          3HB       LYS  15  -4.680  -9.832   5.886
  135   1HG   LYS  15          2HG       LYS  15  -5.286 -10.318   3.379
  136   2HG   LYS  15          3HG       LYS  15  -4.253 -11.726   3.634
  137   1HD   LYS  15          2HD       LYS  15  -5.641 -12.223   5.683
  138   2HD   LYS  15          3HD       LYS  15  -6.756 -10.972   5.131
  139   1HE   LYS  15          2HE       LYS  15  -6.793 -12.274   2.915
  140   2HE   LYS  15          3HE       LYS  15  -6.080 -13.594   3.840
  141   1HZ   LYS  15          1HZ       LYS  15  -8.372 -12.425   5.114
  142   2HZ   LYS  15          2HZ       LYS  15  -8.022 -14.050   4.801
  143   3HZ   LYS  15          3HZ       LYS  15  -8.730 -13.092   3.600
  144    H    CYS  16           HN       CYS  16  -3.268  -6.624   3.613
  145    HA   CYS  16           HA       CYS  16  -3.420  -4.532   4.479
  146   1HB   CYS  16          2HB       CYS  16  -5.779  -5.774   5.070
  147   2HB   CYS  16          3HB       CYS  16  -5.251  -5.263   6.672
  148    H    THR  17           HN       THR  17  -1.211  -5.492   5.216
  149    HA   THR  17           HA       THR  17  -0.810  -5.798   8.029
  150    HB   THR  17           HB       THR  17   0.718  -6.098   5.590
  151    HG1  THR  17           1HG      THR  17   0.184  -7.490   7.660
  152   1HG2  THR  17          1HG2      THR  17   2.172  -4.821   7.918
  153   2HG2  THR  17          2HG2      THR  17   1.958  -4.130   6.309
  154   3HG2  THR  17          3HG2      THR  17   2.945  -5.575   6.522
  155    H    THR  18           HN       THR  18   0.558  -4.417   9.340
  156    HA   THR  18           HA       THR  18  -0.215  -1.740   9.370
  157    HB   THR  18           HB       THR  18   1.972  -3.274  10.715
  158    HG1  THR  18           1HG      THR  18   0.818  -2.423  12.555
  159   1HG2  THR  18          1HG2      THR  18   1.706  -0.298  11.088
  160   2HG2  THR  18          2HG2      THR  18   2.883  -1.008   9.982
  161   3HG2  THR  18          3HG2      THR  18   2.961  -1.372  11.707
  162    H    LEU  19           HN       LEU  19   2.951  -3.099   8.454
  163    HA   LEU  19           HA       LEU  19   4.153  -0.789   7.539
  164   1HB   LEU  19          2HB       LEU  19   4.794  -3.475   7.603
  165   2HB   LEU  19          3HB       LEU  19   4.761  -3.119   5.886
  166    HG   LEU  19           HG       LEU  19   7.014  -2.907   6.943
  167   1HD1  LEU  19          1HD1      LEU  19   6.558  -1.783   4.861
  168   2HD1  LEU  19          2HD1      LEU  19   5.819  -0.428   5.714
  169   3HD1  LEU  19          3HD1      LEU  19   7.546  -0.740   5.884
  170   1HD2  LEU  19          1HD2      LEU  19   5.500  -1.160   8.708
  171   2HD2  LEU  19          2HD2      LEU  19   7.074  -1.921   8.944
  172   3HD2  LEU  19          3HD2      LEU  19   6.955  -0.394   8.068
  173    H    GLU  20           HN       GLU  20   1.606  -2.617   6.131
  174    HA   GLU  20           HA       GLU  20   1.973  -1.605   3.474
  175   1HB   GLU  20          2HB       GLU  20   0.682  -3.375   3.033
  176   2HB   GLU  20          3HB       GLU  20   0.337  -3.590   4.740
  177   1HG   GLU  20          2HG       GLU  20  -1.762  -3.372   3.823
  178   2HG   GLU  20          3HG       GLU  20  -1.424  -1.736   4.382
  179    H    GLU  21           HN       GLU  21  -0.366  -0.967   6.100
  180    HA   GLU  21           HA       GLU  21  -1.691   1.148   4.753
  181   1HB   GLU  21          2HB       GLU  21  -2.798   1.576   6.788
  182   2HB   GLU  21          3HB       GLU  21  -2.498  -0.156   6.806
  183   1HG   GLU  21          2HG       GLU  21  -0.362   0.493   8.123
  184   2HG   GLU  21          3HG       GLU  21  -1.218   2.005   8.410
  185    H    GLU  22           HN       GLU  22   1.241   0.876   6.545
  186    HA   GLU  22           HA       GLU  22   1.618   3.683   7.001
  187   1HB   GLU  22          2HB       GLU  22   3.075   1.169   7.549
  188   2HB   GLU  22          3HB       GLU  22   4.074   2.594   7.327
  189   1HG   GLU  22          2HG       GLU  22   1.820   3.092   9.080
  190   2HG   GLU  22          3HG       GLU  22   2.855   1.788   9.660
  191    H    LYS  23           HN       LYS  23   2.624   1.271   4.647
  192    HA   LYS  23           HA       LYS  23   4.600   2.694   3.298
  193   1HB   LYS  23          2HB       LYS  23   4.323   0.418   2.714
  194   2HB   LYS  23          3HB       LYS  23   2.604   0.617   2.409
  195   1HG   LYS  23          2HG       LYS  23   3.062   0.847   0.252
  196   2HG   LYS  23          3HG       LYS  23   3.963   2.323   0.628
  197   1HD   LYS  23          2HD       LYS  23   5.423   0.858  -0.543
  198   2HD   LYS  23          3HD       LYS  23   5.942   0.885   1.136
  199   1HE   LYS  23          2HE       LYS  23   4.017  -1.187   0.801
  200   2HE   LYS  23          3HE       LYS  23   5.240  -1.348  -0.459
  201   1HZ   LYS  23          1HZ       LYS  23   6.775  -1.974   1.016
  202   2HZ   LYS  23          2HZ       LYS  23   5.481  -2.273   2.063
  203   3HZ   LYS  23          3HZ       LYS  23   6.321  -0.809   2.156
  204    H    CYS  24           HN       CYS  24   1.110   2.589   2.821
  205    HA   CYS  24           HA       CYS  24   1.025   4.443   0.684
  206   1HB   CYS  24          2HB       CYS  24  -1.265   3.904   2.551
  207   2HB   CYS  24          3HB       CYS  24  -1.301   4.230   0.821
  208    H    LYS  25           HN       LYS  25   0.673   4.798   4.191
  209    HA   LYS  25           HA       LYS  25  -0.137   7.540   4.009
  210   1HB   LYS  25          2HB       LYS  25   0.254   5.560   6.111
  211   2HB   LYS  25          3HB       LYS  25   0.768   7.170   6.594
  212   1HG   LYS  25          2HG       LYS  25  -1.499   6.935   7.237
  213   2HG   LYS  25          3HG       LYS  25  -1.470   8.011   5.839
  214   1HD   LYS  25          2HD       LYS  25  -1.801   5.111   5.316
  215   2HD   LYS  25          3HD       LYS  25  -3.166   5.961   6.044
  216   1HE   LYS  25          2HE       LYS  25  -1.749   6.830   3.526
  217   2HE   LYS  25          3HE       LYS  25  -3.239   5.885   3.560
  218   1HZ   LYS  25          1HZ       LYS  25  -4.453   7.686   4.025
  219   2HZ   LYS  25          2HZ       LYS  25  -3.116   8.576   3.495
  220   3HZ   LYS  25          3HZ       LYS  25  -3.338   8.289   5.146
  221    H    THR  26           HN       THR  26   2.739   6.165   5.581
  222    HA   THR  26           HA       THR  26   4.174   8.482   5.875
  223    HB   THR  26           HB       THR  26   6.154   7.156   6.140
  224    HG1  THR  26           1HG      THR  26   6.394   5.610   4.712
  225   1HG2  THR  26          1HG2      THR  26   5.439   5.626   7.813
  226   2HG2  THR  26          2HG2      THR  26   3.859   5.430   7.055
  227   3HG2  THR  26          3HG2      THR  26   4.283   6.958   7.826
  228    H    LEU  27           HN       LEU  27   4.153   6.354   2.988
  229    HA   LEU  27           HA       LEU  27   6.126   8.038   1.711
  230   1HB   LEU  27          2HB       LEU  27   4.643   5.574   0.879
  231   2HB   LEU  27          3HB       LEU  27   5.570   6.506  -0.281
  232    HG   LEU  27           HG       LEU  27   7.490   6.221   1.493
  233   1HD1  LEU  27          1HD1      LEU  27   5.877   5.096   3.080
  234   2HD1  LEU  27          2HD1      LEU  27   5.916   3.709   1.989
  235   3HD1  LEU  27          3HD1      LEU  27   7.396   4.251   2.784
  236   1HD2  LEU  27          1HD2      LEU  27   6.670   3.897  -0.235
  237   2HD2  LEU  27          2HD2      LEU  27   7.396   5.378  -0.858
  238   3HD2  LEU  27          3HD2      LEU  27   8.301   4.353   0.255
  239    H    TYR  28           HN       TYR  28   2.639   7.436   1.423
  240    HA   TYR  28           HA       TYR  28   2.528   9.608  -0.567
  241   1HB   TYR  28          2HB       TYR  28   0.218   7.765  -0.104
  242   2HB   TYR  28          3HB       TYR  28   0.679   8.624  -1.564
  243    HD1  TYR  28           1HD      TYR  28  -0.164   5.734  -1.361
  244    HD2  TYR  28           2HD      TYR  28   3.687   7.537  -1.283
  245    HE1  TYR  28           1HE      TYR  28   0.818   3.660  -2.236
  246    HE2  TYR  28           2HE      TYR  28   4.677   5.470  -2.154
  247    HH   TYR  28           HH       TYR  28   2.716   2.568  -2.683
  248    HA   PRO  29           HA       PRO  29   0.442  11.729   2.837
  249   1HB   PRO  29          2HB       PRO  29   0.750  14.221   1.906
  250   2HB   PRO  29          3HB       PRO  29   2.112  13.326   2.589
  251   1HG   PRO  29          2HG       PRO  29   1.401  13.796  -0.278
  252   2HG   PRO  29          3HG       PRO  29   2.991  13.844   0.503
  253   1HD   PRO  29          2HD       PRO  29   2.026  11.697  -0.929
  254   2HD   PRO  29          3HD       PRO  29   3.274  11.584   0.328
  255    H    ARG  30           HN       ARG  30  -1.372  10.444   1.537
  256    HA   ARG  30           HA       ARG  30  -3.095  12.372   0.137
  257   1HB   ARG  30          2HB       ARG  30  -2.416   9.627  -0.354
  258   2HB   ARG  30          3HB       ARG  30  -4.152   9.761  -0.099
  259   1HG   ARG  30          2HG       ARG  30  -2.628  11.501  -2.024
  260   2HG   ARG  30          3HG       ARG  30  -3.370   9.966  -2.479
  261   1HD   ARG  30          2HD       ARG  30  -5.088  11.359  -3.012
  262   2HD   ARG  30          3HD       ARG  30  -5.480  11.081  -1.316
  263    HE   ARG  30           HE       ARG  30  -3.808  13.289  -1.399
  264   1HH1  ARG  30          2HH1      ARG  30  -6.958  12.399  -2.599
  265   2HH1  ARG  30          1HH1      ARG  30  -7.574  14.016  -2.551
  266   1HH2  ARG  30          2HH2      ARG  30  -4.613  15.420  -1.332
  267   2HH2  ARG  30          1HH2      ARG  30  -6.242  15.734  -1.830
  268    H    GLY  31           HN       GLY  31  -5.442  12.021   0.403
  269   1HA   GLY  31          1HA       GLY  31  -6.075  11.528   3.240
  270   2HA   GLY  31          2HA       GLY  31  -6.980  12.600   2.175
  271    H    GLN  32           HN       GLN  32  -6.544  10.431   0.051
  272    HA   GLN  32           HA       GLN  32  -8.778   8.713   0.895
  273   1HB   GLN  32          2HB       GLN  32  -8.241   8.820  -1.984
  274   2HB   GLN  32          3HB       GLN  32  -9.762   8.982  -1.116
  275   1HG   GLN  32          2HG       GLN  32  -7.779  11.220  -1.161
  276   2HG   GLN  32          3HG       GLN  32  -8.900  10.969  -2.499
  277   1HE2  GLN  32          1HE2      GLN  32  -9.021  13.299  -1.171
  278   2HE2  GLN  32          2HE2      GLN  32 -10.438  13.375  -0.187
  279    H    CYS  33           HN       CYS  33  -5.714   8.521   1.018
  280    HA   CYS  33           HA       CYS  33  -5.333   6.010  -0.454
  281   1HB   CYS  33          2HB       CYS  33  -3.627   7.887  -0.593
  282   2HB   CYS  33          3HB       CYS  33  -3.245   7.549   1.090
  283    H    THR  34           HN       THR  34  -4.462   4.161   0.628
  284    HA   THR  34           HA       THR  34  -3.970   3.900   3.340
  285    HB   THR  34           HB       THR  34  -6.366   4.646   3.498
  286    HG1  THR  34           1HG      THR  34  -5.641   3.582   5.276
  287   1HG2  THR  34          1HG2      THR  34  -7.271   1.903   2.811
  288   2HG2  THR  34          2HG2      THR  34  -6.900   2.988   1.472
  289   3HG2  THR  34          3HG2      THR  34  -8.113   3.446   2.666
  290    H    CYS  35           HN       CYS  35  -5.437   1.346   3.694
  291    HA   CYS  35           HA       CYS  35  -3.740  -0.270   1.944
  292   1HB   CYS  35          2HB       CYS  35  -3.369  -0.998   4.110
  293   2HB   CYS  35          3HB       CYS  35  -5.034  -0.712   4.603
  294    H    SER  36           HN       SER  36  -4.512  -1.556   0.401
  295    HA   SER  36           HA       SER  36  -7.383  -2.162   0.340
  296   1HB   SER  36          2HB       SER  36  -7.130  -0.303  -1.177
  297   2HB   SER  36          3HB       SER  36  -5.737  -1.060  -1.948
  298    HG   SER  36           HG       SER  36  -7.680  -1.334  -3.150
  299    H    ASP  37           HN       ASP  37  -7.760  -4.249   0.065
  300    HA   ASP  37           HA       ASP  37  -5.807  -5.890  -1.388
  301   1HB   ASP  37          2HB       ASP  37  -5.373  -6.181   1.012
  302   2HB   ASP  37          3HB       ASP  37  -7.061  -6.613   1.270
  303    H    SER  38           HN       SER  38  -6.677  -7.888  -2.227
  304    HA   SER  38           HA       SER  38  -9.552  -7.667  -2.782
  305   1HB   SER  38          2HB       SER  38  -8.255  -7.640  -4.798
  306   2HB   SER  38          3HB       SER  38  -7.314  -9.040  -4.282
  307    HG   SER  38           HG       SER  38  -8.773 -10.003  -5.500
  308    H    LYS  39           HN       LYS  39  -7.265 -10.396  -2.710
  309    HA   LYS  39           HA       LYS  39  -8.516 -11.702  -0.526
  310   1HB   LYS  39          2HB       LYS  39 -10.105 -11.929  -2.642
  311   2HB   LYS  39          3HB       LYS  39  -8.987 -13.224  -3.049
  312   1HG   LYS  39          2HG       LYS  39  -9.637 -14.529  -1.291
  313   2HG   LYS  39          3HG       LYS  39 -10.131 -13.152  -0.307
  314   1HD   LYS  39          2HD       LYS  39 -12.160 -12.917  -1.452
  315   2HD   LYS  39          3HD       LYS  39 -11.605 -13.891  -2.815
  316   1HE   LYS  39          2HE       LYS  39 -11.414 -15.530  -0.540
  317   2HE   LYS  39          3HE       LYS  39 -12.973 -14.714  -0.431
  318   1HZ   LYS  39          1HZ       LYS  39 -13.376 -16.640  -1.659
  319   2HZ   LYS  39          2HZ       LYS  39 -11.972 -16.472  -2.587
  320   3HZ   LYS  39          3HZ       LYS  39 -13.277 -15.425  -2.833
  321    H    MET  40           HN       MET  40  -5.890 -11.054  -1.200
  322    HA   MET  40           HA       MET  40  -4.696 -13.720  -1.217
  323   1HB   MET  40          2HB       MET  40  -4.034 -11.509  -3.148
  324   2HB   MET  40          3HB       MET  40  -2.856 -12.747  -2.738
  325   1HG   MET  40          2HG       MET  40  -4.001 -14.398  -3.825
  326   2HG   MET  40          3HG       MET  40  -5.561 -13.603  -3.621
  327   1HE   MET  40          1HE       MET  40  -3.236 -14.842  -5.813
  328   2HE   MET  40          2HE       MET  40  -4.747 -14.810  -6.723
  329   3HE   MET  40          3HE       MET  40  -3.337 -13.935  -7.321
  330    H    ASN  41           HN       ASN  41  -2.474 -13.728  -0.430
  331    HA   ASN  41           HA       ASN  41  -2.148 -12.282   1.925
  332   1HB   ASN  41          2HB       ASN  41  -1.010 -14.413   1.475
  333   2HB   ASN  41          3HB       ASN  41  -0.017 -13.630   0.249
  334   1HD2  ASN  41          1HD2      ASN  41  -0.660 -13.942   3.654
  335   2HD2  ASN  41          2HD2      ASN  41   0.813 -13.225   4.202
  336    H    THR  42           HN       THR  42  -1.259 -11.475  -1.350
  337    HA   THR  42           HA       THR  42   0.265  -9.162  -0.382
  338    HB   THR  42           HB       THR  42   0.454  -9.043  -3.114
  339    HG1  THR  42           1HG      THR  42  -0.572 -11.273  -2.955
  340   1HG2  THR  42          1HG2      THR  42   2.646 -10.541  -2.402
  341   2HG2  THR  42          2HG2      THR  42   2.141  -9.834  -0.867
  342   3HG2  THR  42          3HG2      THR  42   2.504  -8.790  -2.241
  343    H    HIS  43           HN       HIS  43  -0.263  -7.123  -0.843
  344    HA   HIS  43           HA       HIS  43  -2.546  -6.442  -2.515
  345   1HB   HIS  43          2HB       HIS  43  -3.383  -5.010  -0.495
  346   2HB   HIS  43          3HB       HIS  43  -3.787  -6.724  -0.532
  347    HD1  HIS  43           1HD      HIS  43  -1.912  -8.237   0.802
  348    HD2  HIS  43           2HD      HIS  43  -2.271  -4.242   1.860
  349    HE1  HIS  43           1HE      HIS  43  -0.839  -8.027   3.043
  350    HE2  HIS  43           2HE      HIS  43  -0.942  -5.586   3.608
  351    H    SER  44           HN       SER  44  -2.831  -3.816  -1.933
  352    HA   SER  44           HA       SER  44  -0.274  -2.599  -1.449
  353   1HB   SER  44          2HB       SER  44  -0.071  -1.414  -3.568
  354   2HB   SER  44          3HB       SER  44  -0.019  -3.163  -3.823
  355    HG   SER  44           HG       SER  44  -2.551  -2.088  -3.943
  356    H    CYS  45           HN       CYS  45  -1.062  -0.109  -2.834
  357    HA   CYS  45           HA       CYS  45  -2.966   0.799  -0.804
  358   1HB   CYS  45          2HB       CYS  45  -1.230   2.477  -2.615
  359   2HB   CYS  45          3HB       CYS  45  -2.095   3.007  -1.174
  360    H    ASP  46           HN       ASP  46  -4.285   2.797  -1.575
  361    HA   ASP  46           HA       ASP  46  -5.242   2.588  -4.307
  362   1HB   ASP  46          2HB       ASP  46  -6.503   0.885  -2.872
  363   2HB   ASP  46          3HB       ASP  46  -7.234   2.270  -2.067
  364    H    CYS  47           HN       CYS  47  -3.913   4.705  -3.330
  365    HA   CYS  47           HA       CYS  47  -5.629   6.693  -2.184
  366   1HB   CYS  47          2HB       CYS  47  -3.360   7.708  -3.712
  367   2HB   CYS  47          3HB       CYS  47  -3.742   7.917  -2.009
  368    H    LYS  48           HN       LYS  48  -5.002   5.469  -5.284
  369    HA   LYS  48           HA       LYS  48  -6.709   7.540  -6.491
  370   1HB   LYS  48          2HB       LYS  48  -4.099   7.540  -6.998
  371   2HB   LYS  48          3HB       LYS  48  -4.558   6.278  -8.131
  372   1HG   LYS  48          2HG       LYS  48  -6.262   8.637  -8.284
  373   2HG   LYS  48          3HG       LYS  48  -4.563   8.969  -8.633
  374   1HD   LYS  48          2HD       LYS  48  -4.660   6.957 -10.194
  375   2HD   LYS  48          3HD       LYS  48  -6.414   7.037 -10.010
  376   1HE   LYS  48          2HE       LYS  48  -5.963   9.588 -10.614
  377   2HE   LYS  48          3HE       LYS  48  -4.558   8.881 -11.410
  378   1HZ   LYS  48          1HZ       LYS  48  -6.933   9.110 -12.568
  379   2HZ   LYS  48          2HZ       LYS  48  -7.101   7.565 -11.902
  380   3HZ   LYS  48          3HZ       LYS  48  -5.828   7.892 -12.966
  381    H    SER  49           HN       SER  49  -8.313   6.791  -7.680
  382    HA   SER  49           HA       SER  49  -9.221   4.206  -7.585
  383   1HB   SER  49          2HB       SER  49 -10.785   5.794  -8.294
  384   2HB   SER  49          3HB       SER  49  -9.711   6.441  -9.532
  385    HG   SER  49           HG       SER  49 -10.144   4.726 -10.820
  386    H    CYS  50           HN       CYS  50  -7.550   2.732  -7.953
  387    HA   CYS  50           HA       CYS  50  -7.018   2.202 -10.777
  388   1HB   CYS  50          2HB       CYS  50  -4.625   1.825 -10.346
  389   2HB   CYS  50          3HB       CYS  50  -5.082   3.489 -10.010
  Start of MODEL    4
    1   1H    ASN   1          1H        ASN   1   3.626  10.577  -8.486
    2   2H    ASN   1          2H        ASN   1   2.259  11.570  -8.552
    3   3H    ASN   1          3H        ASN   1   3.690  12.148  -7.861
    4    HA   ASN   1           HA       ASN   1   4.757  12.392  -9.868
    5   1HB   ASN   1          2HB       ASN   1   4.018  10.017 -10.507
    6   2HB   ASN   1          3HB       ASN   1   2.607  10.777 -11.238
    7   1HD2  ASN   1          1HD2      ASN   1   2.996  12.372 -12.912
    8   2HD2  ASN   1          2HD2      ASN   1   4.381  12.204 -13.931
    9    H    LEU   2           HN       LEU   2   1.201  12.209  -9.990
   10    HA   LEU   2           HA       LEU   2   1.177  15.015 -10.872
   11   1HB   LEU   2          2HB       LEU   2   0.665  13.315 -12.700
   12   2HB   LEU   2          3HB       LEU   2  -0.811  12.962 -11.820
   13    HG   LEU   2           HG       LEU   2  -1.233  15.529 -12.012
   14   1HD1  LEU   2          1HD1      LEU   2  -0.322  16.384 -14.194
   15   2HD1  LEU   2          2HD1      LEU   2   0.850  16.251 -12.883
   16   3HD1  LEU   2          3HD1      LEU   2   0.813  15.036 -14.161
   17   1HD2  LEU   2          1HD2      LEU   2  -1.874  13.267 -13.639
   18   2HD2  LEU   2          2HD2      LEU   2  -2.848  14.694 -13.281
   19   3HD2  LEU   2          3HD2      LEU   2  -1.740  14.703 -14.653
   20    H    MET   3           HN       MET   3  -0.604  12.382  -9.322
   21    HA   MET   3           HA       MET   3  -2.079  14.406  -7.769
   22   1HB   MET   3          2HB       MET   3  -3.059  11.738  -8.796
   23   2HB   MET   3          3HB       MET   3  -3.926  12.708  -7.613
   24   1HG   MET   3          2HG       MET   3  -4.652  14.179  -9.150
   25   2HG   MET   3          3HG       MET   3  -3.161  14.103 -10.087
   26   1HE   MET   3          1HE       MET   3  -4.189  13.578 -12.795
   27   2HE   MET   3          2HE       MET   3  -5.924  13.305 -12.636
   28   3HE   MET   3          3HE       MET   3  -5.145  14.587 -11.709
   29    H    LYS   4           HN       LYS   4  -2.032  10.886  -7.426
   30    HA   LYS   4           HA       LYS   4  -0.502  11.161  -4.934
   31   1HB   LYS   4          2HB       LYS   4  -2.692   9.179  -4.880
   32   2HB   LYS   4          3HB       LYS   4  -2.091  10.228  -3.604
   33   1HG   LYS   4          2HG       LYS   4  -4.083  11.231  -3.878
   34   2HG   LYS   4          3HG       LYS   4  -3.248  12.058  -5.194
   35   1HD   LYS   4          2HD       LYS   4  -4.117  10.474  -6.796
   36   2HD   LYS   4          3HD       LYS   4  -4.850   9.521  -5.503
   37   1HE   LYS   4          2HE       LYS   4  -5.559  12.408  -5.899
   38   2HE   LYS   4          3HE       LYS   4  -6.343  11.141  -6.841
   39   1HZ   LYS   4          1HZ       LYS   4  -7.481  10.397  -5.058
   40   2HZ   LYS   4          2HZ       LYS   4  -7.255  11.979  -4.504
   41   3HZ   LYS   4          3HZ       LYS   4  -6.241  10.740  -3.960
   42    H    ARG   5           HN       ARG   5  -1.669   9.181  -7.565
   43    HA   ARG   5           HA       ARG   5  -0.916   7.271  -8.529
   44   1HB   ARG   5          2HB       ARG   5   1.102   8.687  -8.782
   45   2HB   ARG   5          3HB       ARG   5   1.711   8.058  -7.257
   46   1HG   ARG   5          2HG       ARG   5   2.688   6.425  -8.382
   47   2HG   ARG   5          3HG       ARG   5   1.090   5.818  -8.817
   48   1HD   ARG   5          2HD       ARG   5   2.323   8.046 -10.382
   49   2HD   ARG   5          3HD       ARG   5   2.816   6.381 -10.683
   50    HE   ARG   5           HE       ARG   5  -0.039   6.917 -10.728
   51   1HH1  ARG   5          2HH1      ARG   5   2.910   6.478 -12.534
   52   2HH1  ARG   5          1HH1      ARG   5   2.096   6.125 -14.023
   53   1HH2  ARG   5          2HH2      ARG   5  -1.117   6.452 -12.681
   54   2HH2  ARG   5          1HH2      ARG   5  -0.192   6.112 -14.106
   55    H    CYS   6           HN       CYS   6  -2.293   6.089  -7.019
   56    HA   CYS   6           HA       CYS   6  -1.684   5.033  -4.585
   57   1HB   CYS   6          2HB       CYS   6  -3.114   3.112  -5.188
   58   2HB   CYS   6          3HB       CYS   6  -3.817   4.639  -5.717
   59    H    THR   7           HN       THR   7  -0.356   3.489  -3.746
   60    HA   THR   7           HA       THR   7   1.382   2.032  -3.582
   61    HB   THR   7           HB       THR   7   1.179   0.075  -4.726
   62    HG1  THR   7           1HG      THR   7   0.815  -0.006  -6.994
   63   1HG2  THR   7          1HG2      THR   7  -1.128   0.820  -4.078
   64   2HG2  THR   7          2HG2      THR   7  -1.077  -0.348  -5.398
   65   3HG2  THR   7          3HG2      THR   7  -1.354   1.360  -5.741
   66    H    ARG   8           HN       ARG   8   3.364   1.125  -4.781
   67    HA   ARG   8           HA       ARG   8   4.496   3.233  -6.497
   68   1HB   ARG   8          2HB       ARG   8   6.532   1.586  -5.301
   69   2HB   ARG   8          3HB       ARG   8   6.328   3.329  -5.217
   70   1HG   ARG   8          2HG       ARG   8   4.421   2.129  -3.493
   71   2HG   ARG   8          3HG       ARG   8   6.005   1.419  -3.170
   72   1HD   ARG   8          2HD       ARG   8   5.273   4.337  -3.175
   73   2HD   ARG   8          3HD       ARG   8   5.731   3.354  -1.794
   74    HE   ARG   8           HE       ARG   8   7.973   3.290  -2.643
   75   1HH1  ARG   8          2HH1      ARG   8   5.826   5.502  -4.270
   76   2HH1  ARG   8          1HH1      ARG   8   7.108   6.469  -4.920
   77   1HH2  ARG   8          2HH2      ARG   8   9.665   4.558  -3.493
   78   2HH2  ARG   8          1HH2      ARG   8   9.289   5.932  -4.479
   79    H    GLY   9           HN       GLY   9   2.937   0.899  -7.163
   80   1HA   GLY   9          1HA       GLY   9   3.388  -0.123  -9.399
   81   2HA   GLY   9          2HA       GLY   9   4.913  -0.662  -8.702
   82    H    PHE  10           HN       PHE  10   2.287  -0.633  -6.549
   83    HA   PHE  10           HA       PHE  10   1.053  -2.240  -5.522
   84   1HB   PHE  10          2HB       PHE  10   0.523  -2.627  -8.110
   85   2HB   PHE  10          3HB       PHE  10   1.349  -4.149  -7.791
   86    HD1  PHE  10           1HD      PHE  10  -1.747  -2.698  -7.990
   87    HD2  PHE  10           2HD      PHE  10   0.517  -5.238  -5.437
   88    HE1  PHE  10           1HE      PHE  10  -3.834  -3.627  -7.072
   89    HE2  PHE  10           2HE      PHE  10  -1.564  -6.173  -4.513
   90    HZ   PHE  10           HZ       PHE  10  -3.743  -5.367  -5.331
   91    H    ARG  11           HN       ARG  11   2.572  -2.746  -3.898
   92    HA   ARG  11           HA       ARG  11   3.620  -5.392  -4.087
   93   1HB   ARG  11          2HB       ARG  11   5.994  -4.796  -3.714
   94   2HB   ARG  11          3HB       ARG  11   5.395  -4.287  -5.283
   95   1HG   ARG  11          2HG       ARG  11   6.111  -2.239  -4.858
   96   2HG   ARG  11          3HG       ARG  11   4.959  -2.134  -3.523
   97   1HD   ARG  11          2HD       ARG  11   6.648  -2.099  -2.088
   98   2HD   ARG  11          3HD       ARG  11   7.125  -3.706  -2.639
   99    HE   ARG  11           HE       ARG  11   8.109  -1.802  -4.448
  100   1HH1  ARG  11          2HH1      ARG  11   8.603  -2.872  -1.166
  101   2HH1  ARG  11          1HH1      ARG  11  10.270  -2.406  -1.129
  102   1HH2  ARG  11          2HH2      ARG  11  10.304  -1.188  -4.407
  103   2HH2  ARG  11          1HH2      ARG  11  11.239  -1.450  -2.972
  104    H    LYS  12           HN       LYS  12   1.846  -4.641  -2.281
  105    HA   LYS  12           HA       LYS  12   3.382  -4.338   0.219
  106   1HB   LYS  12          2HB       LYS  12   0.469  -3.691  -0.330
  107   2HB   LYS  12          3HB       LYS  12   1.219  -3.623   1.256
  108   1HG   LYS  12          2HG       LYS  12   1.033  -1.402   0.287
  109   2HG   LYS  12          3HG       LYS  12   2.724  -1.860   0.475
  110   1HD   LYS  12          2HD       LYS  12   2.939  -2.299  -1.858
  111   2HD   LYS  12          3HD       LYS  12   1.200  -2.155  -2.105
  112   1HE   LYS  12          2HE       LYS  12   1.462   0.004  -2.537
  113   2HE   LYS  12          3HE       LYS  12   2.067   0.244  -0.898
  114   1HZ   LYS  12          1HZ       LYS  12   3.837   0.982  -2.098
  115   2HZ   LYS  12          2HZ       LYS  12   3.551  -0.055  -3.404
  116   3HZ   LYS  12          3HZ       LYS  12   4.263  -0.653  -1.990
  117    H    LEU  13           HN       LEU  13   2.690  -5.795   2.018
  118    HA   LEU  13           HA       LEU  13   1.035  -8.056   1.191
  119   1HB   LEU  13          2HB       LEU  13   3.100  -9.463   2.200
  120   2HB   LEU  13          3HB       LEU  13   2.849  -9.167   0.489
  121    HG   LEU  13           HG       LEU  13   4.332  -6.997   1.705
  122   1HD1  LEU  13          1HD1      LEU  13   6.427  -8.569   1.854
  123   2HD1  LEU  13          2HD1      LEU  13   5.365  -8.346   3.244
  124   3HD1  LEU  13          3HD1      LEU  13   5.217  -9.791   2.244
  125   1HD2  LEU  13          1HD2      LEU  13   5.851  -7.458  -0.137
  126   2HD2  LEU  13          2HD2      LEU  13   5.030  -8.987  -0.455
  127   3HD2  LEU  13          3HD2      LEU  13   4.179  -7.461  -0.698
  128    H    GLY  14           HN       GLY  14   0.462  -9.528   2.849
  129   1HA   GLY  14          1HA       GLY  14   0.485 -10.245   5.141
  130   2HA   GLY  14          2HA       GLY  14   1.005  -8.634   5.602
  131    H    LYS  15           HN       LYS  15  -1.711  -9.706   3.548
  132    HA   LYS  15           HA       LYS  15  -3.855  -8.799   3.498
  133   1HB   LYS  15          2HB       LYS  15  -3.404 -10.682   5.663
  134   2HB   LYS  15          3HB       LYS  15  -4.757  -9.614   6.008
  135   1HG   LYS  15          2HG       LYS  15  -5.389 -10.259   3.506
  136   2HG   LYS  15          3HG       LYS  15  -4.467 -11.702   3.936
  137   1HD   LYS  15          2HD       LYS  15  -5.908 -11.794   6.037
  138   2HD   LYS  15          3HD       LYS  15  -6.946 -10.611   5.239
  139   1HE   LYS  15          2HE       LYS  15  -6.696 -12.428   3.268
  140   2HE   LYS  15          3HE       LYS  15  -6.547 -13.480   4.675
  141   1HZ   LYS  15          1HZ       LYS  15  -8.773 -11.560   4.257
  142   2HZ   LYS  15          2HZ       LYS  15  -8.649 -12.721   5.481
  143   3HZ   LYS  15          3HZ       LYS  15  -8.852 -13.207   3.874
  144    H    CYS  16           HN       CYS  16  -3.424  -6.537   3.543
  145    HA   CYS  16           HA       CYS  16  -3.463  -4.413   4.360
  146   1HB   CYS  16          2HB       CYS  16  -5.838  -5.599   5.030
  147   2HB   CYS  16          3HB       CYS  16  -5.278  -5.023   6.597
  148    H    THR  17           HN       THR  17  -1.293  -5.610   5.147
  149    HA   THR  17           HA       THR  17  -0.877  -5.780   7.948
  150    HB   THR  17           HB       THR  17   0.622  -6.228   5.523
  151    HG1  THR  17           1HG      THR  17   1.529  -7.801   6.815
  152   1HG2  THR  17          1HG2      THR  17   2.852  -5.664   6.275
  153   2HG2  THR  17          2HG2      THR  17   2.214  -4.983   7.772
  154   3HG2  THR  17          3HG2      THR  17   1.867  -4.202   6.229
  155    H    THR  18           HN       THR  18   0.487  -4.403   9.237
  156    HA   THR  18           HA       THR  18  -0.180  -1.710   9.181
  157    HB   THR  18           HB       THR  18   2.010  -3.239  10.542
  158    HG1  THR  18           1HG      THR  18   0.787  -2.061  12.338
  159   1HG2  THR  18          1HG2      THR  18   1.726  -0.333  11.135
  160   2HG2  THR  18          2HG2      THR  18   2.688  -0.808   9.734
  161   3HG2  THR  18          3HG2      THR  18   3.118  -1.396  11.341
  162    H    LEU  19           HN       LEU  19   2.926  -3.199   8.267
  163    HA   LEU  19           HA       LEU  19   4.234  -0.974   7.317
  164   1HB   LEU  19          2HB       LEU  19   4.722  -3.683   7.363
  165   2HB   LEU  19          3HB       LEU  19   4.648  -3.340   5.646
  166    HG   LEU  19           HG       LEU  19   6.945  -3.257   6.685
  167   1HD1  LEU  19          1HD1      LEU  19   7.110  -0.697   5.674
  168   2HD1  LEU  19          2HD1      LEU  19   7.227  -2.194   4.749
  169   3HD1  LEU  19          3HD1      LEU  19   5.679  -1.362   4.887
  170   1HD2  LEU  19          1HD2      LEU  19   7.313  -2.014   8.485
  171   2HD2  LEU  19          2HD2      LEU  19   6.804  -0.568   7.612
  172   3HD2  LEU  19          3HD2      LEU  19   5.616  -1.532   8.489
  173    H    GLU  20           HN       GLU  20   1.584  -2.685   5.899
  174    HA   GLU  20           HA       GLU  20   1.972  -1.614   3.268
  175   1HB   GLU  20          2HB       GLU  20   0.615  -3.324   2.792
  176   2HB   GLU  20          3HB       GLU  20   0.273  -3.569   4.496
  177   1HG   GLU  20          2HG       GLU  20  -1.823  -3.248   3.618
  178   2HG   GLU  20          3HG       GLU  20  -1.414  -1.630   4.182
  179    H    GLU  21           HN       GLU  21  -0.347  -0.968   5.906
  180    HA   GLU  21           HA       GLU  21  -1.601   1.224   4.618
  181   1HB   GLU  21          2HB       GLU  21  -2.696   1.628   6.666
  182   2HB   GLU  21          3HB       GLU  21  -2.443  -0.111   6.641
  183   1HG   GLU  21          2HG       GLU  21  -0.262   0.504   7.951
  184   2HG   GLU  21          3HG       GLU  21  -1.158   1.973   8.326
  185    H    GLU  22           HN       GLU  22   1.307   0.831   6.444
  186    HA   GLU  22           HA       GLU  22   1.764   3.608   6.962
  187   1HB   GLU  22          2HB       GLU  22   3.147   1.046   7.437
  188   2HB   GLU  22          3HB       GLU  22   4.203   2.428   7.201
  189   1HG   GLU  22          2HG       GLU  22   2.017   3.008   9.014
  190   2HG   GLU  22          3HG       GLU  22   3.007   1.654   9.556
  191    H    LYS  23           HN       LYS  23   2.651   1.256   4.514
  192    HA   LYS  23           HA       LYS  23   4.651   2.661   3.175
  193   1HB   LYS  23          2HB       LYS  23   4.244   0.389   2.567
  194   2HB   LYS  23          3HB       LYS  23   2.554   0.712   2.209
  195   1HG   LYS  23          2HG       LYS  23   3.121   0.937   0.080
  196   2HG   LYS  23          3HG       LYS  23   4.051   2.376   0.521
  197   1HD   LYS  23          2HD       LYS  23   5.474   0.828  -0.649
  198   2HD   LYS  23          3HD       LYS  23   5.983   0.920   1.030
  199   1HE   LYS  23          2HE       LYS  23   4.147  -1.124   1.047
  200   2HE   LYS  23          3HE       LYS  23   4.959  -1.338  -0.504
  201   1HZ   LYS  23          1HZ       LYS  23   5.873  -2.163   1.946
  202   2HZ   LYS  23          2HZ       LYS  23   6.818  -0.806   1.589
  203   3HZ   LYS  23          3HZ       LYS  23   6.766  -2.105   0.508
  204    H    CYS  24           HN       CYS  24   1.158   2.605   2.653
  205    HA   CYS  24           HA       CYS  24   1.113   4.590   0.643
  206   1HB   CYS  24          2HB       CYS  24  -1.230   4.014   2.419
  207   2HB   CYS  24          3HB       CYS  24  -1.201   4.350   0.691
  208    H    LYS  25           HN       LYS  25   0.950   4.754   4.151
  209    HA   LYS  25           HA       LYS  25   0.047   7.490   4.152
  210   1HB   LYS  25          2HB       LYS  25   0.385   5.392   6.093
  211   2HB   LYS  25          3HB       LYS  25   1.114   6.882   6.678
  212   1HG   LYS  25          2HG       LYS  25  -1.125   6.853   7.445
  213   2HG   LYS  25          3HG       LYS  25  -1.044   8.039   6.141
  214   1HD   LYS  25          2HD       LYS  25  -1.720   5.287   5.326
  215   2HD   LYS  25          3HD       LYS  25  -2.929   6.113   6.312
  216   1HE   LYS  25          2HE       LYS  25  -1.699   7.257   3.807
  217   2HE   LYS  25          3HE       LYS  25  -3.243   6.406   3.857
  218   1HZ   LYS  25          1HZ       LYS  25  -2.689   9.109   4.469
  219   2HZ   LYS  25          2HZ       LYS  25  -3.355   8.349   5.825
  220   3HZ   LYS  25          3HZ       LYS  25  -4.187   8.331   4.352
  221    H    THR  26           HN       THR  26   2.946   6.112   5.673
  222    HA   THR  26           HA       THR  26   4.380   8.407   6.000
  223    HB   THR  26           HB       THR  26   6.402   7.078   6.080
  224    HG1  THR  26           1HG      THR  26   6.411   5.649   4.471
  225   1HG2  THR  26          1HG2      THR  26   5.297   5.025   7.411
  226   2HG2  THR  26          2HG2      THR  26   3.901   6.100   7.324
  227   3HG2  THR  26          3HG2      THR  26   5.398   6.658   8.072
  228    H    LEU  27           HN       LEU  27   4.232   6.436   3.021
  229    HA   LEU  27           HA       LEU  27   6.162   8.168   1.746
  230   1HB   LEU  27          2HB       LEU  27   4.641   5.743   0.874
  231   2HB   LEU  27          3HB       LEU  27   5.497   6.732  -0.293
  232    HG   LEU  27           HG       LEU  27   7.501   6.389   1.392
  233   1HD1  LEU  27          1HD1      LEU  27   7.489   4.288   2.504
  234   2HD1  LEU  27          2HD1      LEU  27   6.027   5.151   2.986
  235   3HD1  LEU  27          3HD1      LEU  27   5.932   3.854   1.794
  236   1HD2  LEU  27          1HD2      LEU  27   6.614   4.224  -0.505
  237   2HD2  LEU  27          2HD2      LEU  27   7.409   5.724  -0.983
  238   3HD2  LEU  27          3HD2      LEU  27   8.263   4.556   0.026
  239    H    TYR  28           HN       TYR  28   2.655   7.630   1.612
  240    HA   TYR  28           HA       TYR  28   2.495   9.909  -0.259
  241   1HB   TYR  28          2HB       TYR  28   0.169   8.085   0.167
  242   2HB   TYR  28          3HB       TYR  28   0.615   9.006  -1.258
  243    HD1  TYR  28           1HD      TYR  28  -0.314   6.141  -1.142
  244    HD2  TYR  28           2HD      TYR  28   3.596   7.812  -1.165
  245    HE1  TYR  28           1HE      TYR  28   0.551   4.080  -2.142
  246    HE2  TYR  28           2HE      TYR  28   4.470   5.749  -2.165
  247    HH   TYR  28           HH       TYR  28   3.434   3.085  -2.091
  248    HA   PRO  29           HA       PRO  29   0.434  11.812   3.279
  249   1HB   PRO  29          2HB       PRO  29   0.707  14.356   2.501
  250   2HB   PRO  29          3HB       PRO  29   2.096  13.431   3.084
  251   1HG   PRO  29          2HG       PRO  29   1.319  14.126   0.287
  252   2HG   PRO  29          3HG       PRO  29   2.930  14.054   1.019
  253   1HD   PRO  29          2HD       PRO  29   1.775  12.062  -0.549
  254   2HD   PRO  29          3HD       PRO  29   3.151  11.839   0.548
  255    H    ARG  30           HN       ARG  30  -1.383  10.580   1.929
  256    HA   ARG  30           HA       ARG  30  -3.179  12.593   0.744
  257   1HB   ARG  30          2HB       ARG  30  -2.417   9.917  -0.066
  258   2HB   ARG  30          3HB       ARG  30  -4.163  10.060   0.093
  259   1HG   ARG  30          2HG       ARG  30  -2.453  11.941  -1.525
  260   2HG   ARG  30          3HG       ARG  30  -3.294  10.539  -2.187
  261   1HD   ARG  30          2HD       ARG  30  -5.047  11.873  -2.502
  262   2HD   ARG  30          3HD       ARG  30  -5.244  11.884  -0.751
  263    HE   ARG  30           HE       ARG  30  -3.640  13.882  -0.891
  264   1HH1  ARG  30          2HH1      ARG  30  -6.010  13.054  -3.307
  265   2HH1  ARG  30          1HH1      ARG  30  -6.215  14.685  -3.852
  266   1HH2  ARG  30          2HH2      ARG  30  -3.904  16.034  -1.603
  267   2HH2  ARG  30          1HH2      ARG  30  -5.018  16.379  -2.883
  268    H    GLY  31           HN       GLY  31  -5.541  11.675   0.791
  269   1HA   GLY  31          1HA       GLY  31  -6.147  10.915   3.581
  270   2HA   GLY  31          2HA       GLY  31  -7.115  12.062   2.662
  271    H    GLN  32           HN       GLN  32  -6.980  10.585   0.186
  272    HA   GLN  32           HA       GLN  32  -8.986   8.558   0.798
  273   1HB   GLN  32          2HB       GLN  32  -8.357   8.972  -2.032
  274   2HB   GLN  32          3HB       GLN  32  -9.910   9.025  -1.207
  275   1HG   GLN  32          2HG       GLN  32  -9.120  11.322  -0.345
  276   2HG   GLN  32          3HG       GLN  32  -7.936  11.225  -1.647
  277   1HE2  GLN  32          1HE2      GLN  32 -11.397  10.546  -1.215
  278   2HE2  GLN  32          2HE2      GLN  32 -11.911  11.369  -2.644
  279    H    CYS  33           HN       CYS  33  -5.894   8.499   0.924
  280    HA   CYS  33           HA       CYS  33  -5.472   6.043  -0.644
  281   1HB   CYS  33          2HB       CYS  33  -3.879   7.953  -0.981
  282   2HB   CYS  33          3HB       CYS  33  -3.390   7.776   0.700
  283    H    THR  34           HN       THR  34  -4.612   4.194   0.364
  284    HA   THR  34           HA       THR  34  -3.764   3.987   3.001
  285    HB   THR  34           HB       THR  34  -6.089   4.724   3.497
  286    HG1  THR  34           1HG      THR  34  -6.134   2.174   4.527
  287   1HG2  THR  34          1HG2      THR  34  -7.159   3.526   1.588
  288   2HG2  THR  34          2HG2      THR  34  -7.958   3.257   3.136
  289   3HG2  THR  34          3HG2      THR  34  -6.912   2.011   2.456
  290    H    CYS  35           HN       CYS  35  -5.334   1.426   3.471
  291    HA   CYS  35           HA       CYS  35  -3.699  -0.223   1.699
  292   1HB   CYS  35          2HB       CYS  35  -3.304  -0.981   3.837
  293   2HB   CYS  35          3HB       CYS  35  -4.933  -0.601   4.387
  294    H    SER  36           HN       SER  36  -4.499  -1.725   0.332
  295    HA   SER  36           HA       SER  36  -7.381  -2.203   0.241
  296   1HB   SER  36          2HB       SER  36  -6.381  -0.335  -1.415
  297   2HB   SER  36          3HB       SER  36  -6.063  -1.772  -2.386
  298    HG   SER  36           HG       SER  36  -8.147  -0.812  -2.757
  299    H    ASP  37           HN       ASP  37  -7.479  -4.334   0.523
  300    HA   ASP  37           HA       ASP  37  -5.613  -6.045  -0.960
  301   1HB   ASP  37          2HB       ASP  37  -6.237  -7.733   0.862
  302   2HB   ASP  37          3HB       ASP  37  -5.199  -6.393   1.329
  303    H    SER  38           HN       SER  38  -6.501  -8.231  -1.478
  304    HA   SER  38           HA       SER  38  -9.302  -7.987  -2.348
  305   1HB   SER  38          2HB       SER  38  -8.453  -9.953  -3.922
  306   2HB   SER  38          3HB       SER  38  -8.173  -8.262  -4.337
  307    HG   SER  38           HG       SER  38  -6.299  -9.709  -4.446
  308    H    LYS  39           HN       LYS  39  -7.373 -10.930  -2.272
  309    HA   LYS  39           HA       LYS  39  -8.412 -11.963   0.148
  310   1HB   LYS  39          2HB       LYS  39 -10.285 -12.006  -1.868
  311   2HB   LYS  39          3HB       LYS  39  -9.574 -13.611  -1.979
  312   1HG   LYS  39          2HG       LYS  39 -10.682 -14.299  -0.188
  313   2HG   LYS  39          3HG       LYS  39 -10.120 -12.924   0.764
  314   1HD   LYS  39          2HD       LYS  39 -11.937 -11.670  -0.733
  315   2HD   LYS  39          3HD       LYS  39 -12.642 -13.288  -0.753
  316   1HE   LYS  39          2HE       LYS  39 -13.556 -12.786   1.216
  317   2HE   LYS  39          3HE       LYS  39 -11.932 -12.906   1.894
  318   1HZ   LYS  39          1HZ       LYS  39 -12.555 -10.823   2.563
  319   2HZ   LYS  39          2HZ       LYS  39 -13.472 -10.511   1.177
  320   3HZ   LYS  39          3HZ       LYS  39 -11.784 -10.446   1.104
  321    H    MET  40           HN       MET  40  -5.913 -11.984  -0.385
  322    HA   MET  40           HA       MET  40  -5.271 -14.773  -0.915
  323   1HB   MET  40          2HB       MET  40  -4.249 -12.462  -2.536
  324   2HB   MET  40          3HB       MET  40  -3.249 -13.888  -2.308
  325   1HG   MET  40          2HG       MET  40  -4.382 -15.033  -3.832
  326   2HG   MET  40          3HG       MET  40  -5.931 -14.599  -3.112
  327   1HE   MET  40          1HE       MET  40  -6.381 -15.145  -5.477
  328   2HE   MET  40          2HE       MET  40  -7.282 -13.741  -6.051
  329   3HE   MET  40          3HE       MET  40  -5.816 -14.251  -6.889
  330    H    ASN  41           HN       ASN  41  -3.052 -12.051  -0.900
  331    HA   ASN  41           HA       ASN  41  -2.420 -12.130   1.863
  332   1HB   ASN  41          2HB       ASN  41  -1.446 -14.326   1.076
  333   2HB   ASN  41          3HB       ASN  41  -0.342 -13.396   0.066
  334   1HD2  ASN  41          1HD2      ASN  41   1.147 -11.968   1.109
  335   2HD2  ASN  41          2HD2      ASN  41   1.675 -12.292   2.722
  336    H    THR  42           HN       THR  42  -1.506 -11.340  -1.427
  337    HA   THR  42           HA       THR  42   0.095  -9.086  -0.461
  338    HB   THR  42           HB       THR  42   0.315  -8.905  -3.151
  339    HG1  THR  42           1HG      THR  42  -0.979 -10.953  -3.215
  340   1HG2  THR  42          1HG2      THR  42   2.418  -9.048  -2.429
  341   2HG2  THR  42          2HG2      THR  42   2.250 -10.806  -2.422
  342   3HG2  THR  42          3HG2      THR  42   1.899  -9.881  -0.962
  343    H    HIS  43           HN       HIS  43  -0.403  -7.024  -0.862
  344    HA   HIS  43           HA       HIS  43  -2.694  -6.273  -2.493
  345   1HB   HIS  43          2HB       HIS  43  -3.486  -4.873  -0.441
  346   2HB   HIS  43          3HB       HIS  43  -3.893  -6.585  -0.491
  347    HD1  HIS  43           1HD      HIS  43  -2.081  -8.136   0.834
  348    HD2  HIS  43           2HD      HIS  43  -2.272  -4.124   1.869
  349    HE1  HIS  43           1HE      HIS  43  -0.989  -7.958   3.069
  350    HE2  HIS  43           2HE      HIS  43  -1.019  -5.513   3.639
  351    H    SER  44           HN       SER  44  -2.931  -3.670  -2.004
  352    HA   SER  44           HA       SER  44  -0.372  -2.464  -1.473
  353   1HB   SER  44          2HB       SER  44  -0.112  -1.344  -3.627
  354   2HB   SER  44          3HB       SER  44  -0.067  -3.101  -3.819
  355    HG   SER  44           HG       SER  44  -2.600  -2.180  -4.026
  356    H    CYS  45           HN       CYS  45  -1.034   0.010  -2.887
  357    HA   CYS  45           HA       CYS  45  -3.035   0.987  -0.986
  358   1HB   CYS  45          2HB       CYS  45  -1.229   2.665  -2.720
  359   2HB   CYS  45          3HB       CYS  45  -2.079   3.147  -1.254
  360    H    ASP  46           HN       ASP  46  -4.343   2.925  -1.823
  361    HA   ASP  46           HA       ASP  46  -5.083   2.756  -4.626
  362   1HB   ASP  46          2HB       ASP  46  -6.413   1.018  -3.222
  363   2HB   ASP  46          3HB       ASP  46  -7.287   2.419  -2.611
  364    H    CYS  47           HN       CYS  47  -3.865   4.859  -3.454
  365    HA   CYS  47           HA       CYS  47  -5.540   6.814  -2.323
  366   1HB   CYS  47          2HB       CYS  47  -3.405   7.785  -4.112
  367   2HB   CYS  47          3HB       CYS  47  -3.724   8.177  -2.426
  368    H    LYS  48           HN       LYS  48  -5.069   5.693  -5.530
  369    HA   LYS  48           HA       LYS  48  -7.186   7.454  -6.468
  370   1HB   LYS  48          2HB       LYS  48  -5.934   7.880  -8.580
  371   2HB   LYS  48          3HB       LYS  48  -5.252   8.651  -7.158
  372   1HG   LYS  48          2HG       LYS  48  -3.307   7.767  -7.690
  373   2HG   LYS  48          3HG       LYS  48  -3.982   6.176  -7.334
  374   1HD   LYS  48          2HD       LYS  48  -3.215   5.912  -9.504
  375   2HD   LYS  48          3HD       LYS  48  -4.915   6.312  -9.752
  376   1HE   LYS  48          2HE       LYS  48  -4.246   7.963 -11.084
  377   2HE   LYS  48          3HE       LYS  48  -3.601   8.768  -9.656
  378   1HZ   LYS  48          1HZ       LYS  48  -1.581   8.519 -10.489
  379   2HZ   LYS  48          2HZ       LYS  48  -2.198   7.707 -11.838
  380   3HZ   LYS  48          3HZ       LYS  48  -1.754   6.836 -10.459
  381    H    SER  49           HN       SER  49  -8.671   6.351  -7.482
  382    HA   SER  49           HA       SER  49  -8.969   3.718  -7.732
  383   1HB   SER  49          2HB       SER  49 -10.465   5.735  -8.557
  384   2HB   SER  49          3HB       SER  49  -9.812   5.283 -10.132
  385    HG   SER  49           HG       SER  49 -11.493   3.845  -8.416
  386    H    CYS  50           HN       CYS  50  -7.224   2.455  -8.214
  387    HA   CYS  50           HA       CYS  50  -5.804   2.853 -10.725
  388   1HB   CYS  50          2HB       CYS  50  -5.105   0.464  -9.189
  389   2HB   CYS  50          3HB       CYS  50  -4.079   1.775  -9.758
  Start of MODEL    5
    1   1H    ASN   1          1H        ASN   1  -6.390  18.436  -7.673
    2   2H    ASN   1          2H        ASN   1  -7.892  18.874  -7.032
    3   3H    ASN   1          3H        ASN   1  -7.696  18.737  -8.707
    4    HA   ASN   1           HA       ASN   1  -7.856  16.612  -6.677
    5   1HB   ASN   1          2HB       ASN   1  -9.366  17.564  -9.026
    6   2HB   ASN   1          3HB       ASN   1  -9.215  15.813  -8.905
    7   1HD2  ASN   1          1HD2      ASN   1 -11.267  18.156  -8.296
    8   2HD2  ASN   1          2HD2      ASN   1 -12.035  17.574  -6.860
    9    H    LEU   2           HN       LEU   2  -7.294  14.463  -7.283
   10    HA   LEU   2           HA       LEU   2  -5.859  12.879  -8.058
   11   1HB   LEU   2          2HB       LEU   2  -6.704  14.395 -10.441
   12   2HB   LEU   2          3HB       LEU   2  -5.247  13.441 -10.644
   13    HG   LEU   2           HG       LEU   2  -6.821  11.582  -9.509
   14   1HD1  LEU   2          1HD1      LEU   2  -8.651  13.475  -9.629
   15   2HD1  LEU   2          2HD1      LEU   2  -8.807  12.895 -11.287
   16   3HD1  LEU   2          3HD1      LEU   2  -9.053  11.786  -9.939
   17   1HD2  LEU   2          1HD2      LEU   2  -6.135  10.686 -11.423
   18   2HD2  LEU   2          2HD2      LEU   2  -7.517  11.450 -12.207
   19   3HD2  LEU   2          3HD2      LEU   2  -5.956  12.273 -12.169
   20    H    MET   3           HN       MET   3  -4.100  13.413  -6.752
   21    HA   MET   3           HA       MET   3  -1.803  14.419  -8.203
   22   1HB   MET   3          2HB       MET   3  -3.144  16.306  -6.867
   23   2HB   MET   3          3HB       MET   3  -2.183  15.678  -5.536
   24   1HG   MET   3          2HG       MET   3  -0.175  15.987  -7.091
   25   2HG   MET   3          3HG       MET   3  -1.256  16.982  -8.065
   26   1HE   MET   3          1HE       MET   3   0.307  18.668  -8.028
   27   2HE   MET   3          2HE       MET   3   0.195  20.015  -6.896
   28   3HE   MET   3          3HE       MET   3   1.422  18.770  -6.665
   29    H    LYS   4           HN       LYS   4  -2.651  11.885  -7.033
   30    HA   LYS   4           HA       LYS   4  -0.459  11.529  -5.096
   31   1HB   LYS   4          2HB       LYS   4  -2.445   9.442  -4.907
   32   2HB   LYS   4          3HB       LYS   4  -1.831  10.509  -3.652
   33   1HG   LYS   4          2HG       LYS   4  -3.997  11.139  -3.586
   34   2HG   LYS   4          3HG       LYS   4  -3.467  12.219  -4.878
   35   1HD   LYS   4          2HD       LYS   4  -4.091  10.198  -6.417
   36   2HD   LYS   4          3HD       LYS   4  -5.077   9.709  -5.038
   37   1HE   LYS   4          2HE       LYS   4  -5.217  12.463  -6.239
   38   2HE   LYS   4          3HE       LYS   4  -6.213  11.126  -6.814
   39   1HZ   LYS   4          1HZ       LYS   4  -6.909  12.803  -4.841
   40   2HZ   LYS   4          2HZ       LYS   4  -6.258  11.520  -3.953
   41   3HZ   LYS   4          3HZ       LYS   4  -7.534  11.241  -5.028
   42    H    ARG   5           HN       ARG   5  -0.754   8.659  -5.055
   43    HA   ARG   5           HA       ARG   5  -0.495   7.683  -7.737
   44   1HB   ARG   5          2HB       ARG   5   1.787   8.837  -6.685
   45   2HB   ARG   5          3HB       ARG   5   2.019   7.125  -6.365
   46   1HG   ARG   5          2HG       ARG   5   2.157   6.583  -8.575
   47   2HG   ARG   5          3HG       ARG   5   1.137   7.933  -9.082
   48   1HD   ARG   5          2HD       ARG   5   2.969   9.487  -8.577
   49   2HD   ARG   5          3HD       ARG   5   3.985   8.126  -8.106
   50    HE   ARG   5           HE       ARG   5   3.262   8.922 -10.798
   51   1HH1  ARG   5          2HH1      ARG   5   4.616   6.459  -8.734
   52   2HH1  ARG   5          1HH1      ARG   5   5.461   5.666 -10.021
   53   1HH2  ARG   5          2HH2      ARG   5   4.373   7.884 -12.496
   54   2HH2  ARG   5          1HH2      ARG   5   5.324   6.476 -12.159
   55    H    CYS   6           HN       CYS   6  -2.108   6.270  -6.932
   56    HA   CYS   6           HA       CYS   6  -1.912   4.654  -4.676
   57   1HB   CYS   6          2HB       CYS   6  -3.479   3.117  -5.906
   58   2HB   CYS   6          3HB       CYS   6  -4.001   4.795  -5.839
   59    H    THR   7           HN       THR   7  -0.505   3.111  -4.142
   60    HA   THR   7           HA       THR   7   1.016   1.439  -4.263
   61    HB   THR   7           HB       THR   7   0.691  -0.303  -5.721
   62    HG1  THR   7           1HG      THR   7   0.649  -0.052  -7.838
   63   1HG2  THR   7          1HG2      THR   7  -1.764  -0.143  -6.594
   64   2HG2  THR   7          2HG2      THR   7  -1.796   1.357  -5.668
   65   3HG2  THR   7          3HG2      THR   7  -1.451  -0.171  -4.859
   66    H    ARG   8           HN       ARG   8   3.129   1.548  -4.534
   67    HA   ARG   8           HA       ARG   8   4.186   3.292  -6.641
   68   1HB   ARG   8          2HB       ARG   8   6.354   2.831  -5.166
   69   2HB   ARG   8          3HB       ARG   8   5.176   4.057  -4.717
   70   1HG   ARG   8          2HG       ARG   8   4.910   1.270  -3.685
   71   2HG   ARG   8          3HG       ARG   8   6.037   2.399  -2.930
   72   1HD   ARG   8          2HD       ARG   8   4.383   3.642  -2.029
   73   2HD   ARG   8          3HD       ARG   8   3.330   3.444  -3.430
   74    HE   ARG   8           HE       ARG   8   3.670   1.114  -1.737
   75   1HH1  ARG   8          2HH1      ARG   8   1.739   3.886  -2.572
   76   2HH1  ARG   8          1HH1      ARG   8   0.308   3.280  -1.810
   77   1HH2  ARG   8          2HH2      ARG   8   1.791   0.307  -0.735
   78   2HH2  ARG   8          1HH2      ARG   8   0.334   1.240  -0.777
   79    H    GLY   9           HN       GLY   9   3.203   0.750  -7.273
   80   1HA   GLY   9          1HA       GLY   9   4.422  -0.453  -9.117
   81   2HA   GLY   9          2HA       GLY   9   5.653  -0.766  -7.897
   82    H    PHE  10           HN       PHE  10   2.669  -0.738  -6.445
   83    HA   PHE  10           HA       PHE  10   1.373  -2.340  -5.488
   84   1HB   PHE  10          2HB       PHE  10   0.474  -2.679  -7.680
   85   2HB   PHE  10          3HB       PHE  10   1.897  -3.581  -8.182
   86    HD1  PHE  10           1HD      PHE  10  -0.415  -3.849  -5.270
   87    HD2  PHE  10           2HD      PHE  10   1.368  -5.761  -8.622
   88    HE1  PHE  10           1HE      PHE  10  -1.534  -5.953  -4.656
   89    HE2  PHE  10           2HE      PHE  10   0.253  -7.871  -8.017
   90    HZ   PHE  10           HZ       PHE  10  -1.200  -7.968  -6.030
   91    H    ARG  11           HN       ARG  11   2.832  -2.855  -3.800
   92    HA   ARG  11           HA       ARG  11   3.696  -5.553  -3.874
   93   1HB   ARG  11          2HB       ARG  11   6.074  -5.271  -3.661
   94   2HB   ARG  11          3HB       ARG  11   5.535  -4.452  -5.117
   95   1HG   ARG  11          2HG       ARG  11   6.029  -3.045  -2.503
   96   2HG   ARG  11          3HG       ARG  11   7.244  -3.222  -3.769
   97   1HD   ARG  11          2HD       ARG  11   4.888  -2.253  -4.987
   98   2HD   ARG  11          3HD       ARG  11   5.159  -1.293  -3.531
   99    HE   ARG  11           HE       ARG  11   6.891  -0.284  -4.607
  100   1HH1  ARG  11          2HH1      ARG  11   6.336  -3.378  -6.118
  101   2HH1  ARG  11          1HH1      ARG  11   7.532  -3.135  -7.346
  102   1HH2  ARG  11          2HH2      ARG  11   8.464   0.042  -6.221
  103   2HH2  ARG  11          1HH2      ARG  11   8.743  -1.192  -7.405
  104    H    LYS  12           HN       LYS  12   1.969  -4.652  -2.126
  105    HA   LYS  12           HA       LYS  12   3.488  -4.347   0.384
  106   1HB   LYS  12          2HB       LYS  12   0.560  -3.729  -0.095
  107   2HB   LYS  12          3HB       LYS  12   1.422  -3.507   1.414
  108   1HG   LYS  12          2HG       LYS  12   1.146  -1.373   0.324
  109   2HG   LYS  12          3HG       LYS  12   2.854  -1.814   0.326
  110   1HD   LYS  12          2HD       LYS  12   1.870  -2.858  -2.050
  111   2HD   LYS  12          3HD       LYS  12   1.065  -1.298  -1.892
  112   1HE   LYS  12          2HE       LYS  12   3.479  -0.470  -1.291
  113   2HE   LYS  12          3HE       LYS  12   3.967  -1.925  -2.161
  114   1HZ   LYS  12          1HZ       LYS  12   2.049  -0.034  -3.361
  115   2HZ   LYS  12          2HZ       LYS  12   3.061  -1.150  -4.129
  116   3HZ   LYS  12          3HZ       LYS  12   3.712   0.257  -3.457
  117    H    LEU  13           HN       LEU  13   2.671  -5.718   2.210
  118    HA   LEU  13           HA       LEU  13   1.047  -7.995   1.370
  119   1HB   LEU  13          2HB       LEU  13   2.858  -9.556   2.262
  120   2HB   LEU  13          3HB       LEU  13   3.092  -8.847   0.675
  121    HG   LEU  13           HG       LEU  13   4.286  -7.083   2.541
  122   1HD1  LEU  13          1HD1      LEU  13   5.551  -9.760   2.877
  123   2HD1  LEU  13          2HD1      LEU  13   5.629  -8.334   3.912
  124   3HD1  LEU  13          3HD1      LEU  13   4.176  -9.334   3.897
  125   1HD2  LEU  13          1HD2      LEU  13   5.525  -9.048   0.613
  126   2HD2  LEU  13          2HD2      LEU  13   4.955  -7.429   0.210
  127   3HD2  LEU  13          3HD2      LEU  13   6.317  -7.636   1.312
  128    H    GLY  14           HN       GLY  14   0.482  -9.479   3.055
  129   1HA   GLY  14          1HA       GLY  14   0.400 -10.120   5.357
  130   2HA   GLY  14          2HA       GLY  14   0.873  -8.489   5.795
  131    H    LYS  15           HN       LYS  15  -1.737  -9.621   3.645
  132    HA   LYS  15           HA       LYS  15  -3.878  -8.689   3.502
  133   1HB   LYS  15          2HB       LYS  15  -3.520 -10.684   5.588
  134   2HB   LYS  15          3HB       LYS  15  -4.924  -9.667   5.888
  135   1HG   LYS  15          2HG       LYS  15  -5.271 -10.216   3.270
  136   2HG   LYS  15          3HG       LYS  15  -4.454 -11.687   3.805
  137   1HD   LYS  15          2HD       LYS  15  -6.123 -12.031   5.524
  138   2HD   LYS  15          3HD       LYS  15  -6.907 -10.505   5.106
  139   1HE   LYS  15          2HE       LYS  15  -8.083 -11.484   3.492
  140   2HE   LYS  15          3HE       LYS  15  -6.621 -12.154   2.770
  141   1HZ   LYS  15          1HZ       LYS  15  -8.283 -13.836   3.475
  142   2HZ   LYS  15          2HZ       LYS  15  -8.021 -13.377   5.081
  143   3HZ   LYS  15          3HZ       LYS  15  -6.759 -14.048   4.178
  144    H    CYS  16           HN       CYS  16  -3.480  -6.435   3.699
  145    HA   CYS  16           HA       CYS  16  -3.673  -4.355   4.594
  146   1HB   CYS  16          2HB       CYS  16  -6.006  -5.528   5.122
  147   2HB   CYS  16          3HB       CYS  16  -5.453  -5.321   6.783
  148    H    THR  17           HN       THR  17  -1.438  -5.482   5.305
  149    HA   THR  17           HA       THR  17  -1.018  -5.663   8.127
  150    HB   THR  17           HB       THR  17   0.474  -6.157   5.691
  151    HG1  THR  17           1HG      THR  17   0.556  -7.037   8.392
  152   1HG2  THR  17          1HG2      THR  17   1.903  -4.335   6.215
  153   2HG2  THR  17          2HG2      THR  17   2.735  -5.786   6.776
  154   3HG2  THR  17          3HG2      THR  17   1.912  -4.739   7.932
  155    H    THR  18           HN       THR  18   0.325  -4.269   9.396
  156    HA   THR  18           HA       THR  18  -0.264  -1.560   9.228
  157    HB   THR  18           HB       THR  18   1.772  -3.137  10.740
  158    HG1  THR  18           1HG      THR  18   0.341  -1.246  12.072
  159   1HG2  THR  18          1HG2      THR  18   2.885  -1.011   9.882
  160   2HG2  THR  18          2HG2      THR  18   2.879  -1.246  11.631
  161   3HG2  THR  18          3HG2      THR  18   1.734  -0.128  10.887
  162    H    LEU  19           HN       LEU  19   2.759  -3.225   8.359
  163    HA   LEU  19           HA       LEU  19   4.228  -1.092   7.431
  164   1HB   LEU  19          2HB       LEU  19   4.571  -3.794   7.492
  165   2HB   LEU  19          3HB       LEU  19   4.411  -3.517   5.769
  166    HG   LEU  19           HG       LEU  19   6.767  -3.532   6.613
  167   1HD1  LEU  19          1HD1      LEU  19   5.756  -2.194   4.582
  168   2HD1  LEU  19          2HD1      LEU  19   6.253  -0.805   5.549
  169   3HD1  LEU  19          3HD1      LEU  19   7.445  -2.007   5.056
  170   1HD2  LEU  19          1HD2      LEU  19   7.242  -2.391   8.457
  171   2HD2  LEU  19          2HD2      LEU  19   6.983  -0.901   7.551
  172   3HD2  LEU  19          3HD2      LEU  19   5.650  -1.628   8.448
  173    H    GLU  20           HN       GLU  20   1.497  -2.639   5.980
  174    HA   GLU  20           HA       GLU  20   1.934  -1.526   3.373
  175   1HB   GLU  20          2HB       GLU  20   0.554  -3.218   2.883
  176   2HB   GLU  20          3HB       GLU  20   0.132  -3.427   4.575
  177   1HG   GLU  20          2HG       GLU  20  -1.912  -3.021   3.619
  178   2HG   GLU  20          3HG       GLU  20  -1.449  -1.411   4.164
  179    H    GLU  21           HN       GLU  21  -0.351  -0.873   6.032
  180    HA   GLU  21           HA       GLU  21  -1.558   1.377   4.814
  181   1HB   GLU  21          2HB       GLU  21  -2.592   1.782   6.898
  182   2HB   GLU  21          3HB       GLU  21  -2.406   0.037   6.819
  183   1HG   GLU  21          2HG       GLU  21  -0.771  -0.003   8.432
  184   2HG   GLU  21          3HG       GLU  21  -0.311   1.677   8.156
  185    H    GLU  22           HN       GLU  22   1.415   0.832   6.421
  186    HA   GLU  22           HA       GLU  22   1.982   3.593   7.021
  187   1HB   GLU  22          2HB       GLU  22   3.236   0.966   7.495
  188   2HB   GLU  22          3HB       GLU  22   4.362   2.291   7.250
  189   1HG   GLU  22          2HG       GLU  22   2.329   3.149   9.041
  190   2HG   GLU  22          3HG       GLU  22   2.946   1.593   9.588
  191    H    LYS  23           HN       LYS  23   2.795   1.188   4.584
  192    HA   LYS  23           HA       LYS  23   4.857   2.465   3.233
  193   1HB   LYS  23          2HB       LYS  23   4.279   0.241   2.595
  194   2HB   LYS  23          3HB       LYS  23   2.614   0.693   2.255
  195   1HG   LYS  23          2HG       LYS  23   3.193   0.904   0.119
  196   2HG   LYS  23          3HG       LYS  23   4.192   2.286   0.594
  197   1HD   LYS  23          2HD       LYS  23   5.433   0.550  -0.663
  198   2HD   LYS  23          3HD       LYS  23   6.102   0.867   0.931
  199   1HE   LYS  23          2HE       LYS  23   4.468  -1.115   1.584
  200   2HE   LYS  23          3HE       LYS  23   4.697  -1.532  -0.113
  201   1HZ   LYS  23          1HZ       LYS  23   7.210  -1.110   0.610
  202   2HZ   LYS  23          2HZ       LYS  23   6.466  -2.623   0.726
  203   3HZ   LYS  23          3HZ       LYS  23   6.590  -1.635   2.093
  204    H    CYS  24           HN       CYS  24   1.367   2.810   2.953
  205    HA   CYS  24           HA       CYS  24   1.506   4.764   0.869
  206   1HB   CYS  24          2HB       CYS  24  -0.776   3.979   2.681
  207   2HB   CYS  24          3HB       CYS  24  -0.913   5.030   1.272
  208    H    LYS  25           HN       LYS  25   0.944   4.906   4.377
  209    HA   LYS  25           HA       LYS  25   0.358   7.661   4.452
  210   1HB   LYS  25          2HB       LYS  25   0.775   5.527   6.364
  211   2HB   LYS  25          3HB       LYS  25   1.471   7.041   6.929
  212   1HG   LYS  25          2HG       LYS  25  -0.820   6.774   7.704
  213   2HG   LYS  25          3HG       LYS  25  -0.671   8.158   6.621
  214   1HD   LYS  25          2HD       LYS  25  -1.336   5.642   5.273
  215   2HD   LYS  25          3HD       LYS  25  -2.561   6.196   6.415
  216   1HE   LYS  25          2HE       LYS  25  -1.390   7.811   4.149
  217   2HE   LYS  25          3HE       LYS  25  -2.983   7.055   4.165
  218   1HZ   LYS  25          1HZ       LYS  25  -3.829   8.697   5.395
  219   2HZ   LYS  25          2HZ       LYS  25  -2.465   9.585   4.933
  220   3HZ   LYS  25          3HZ       LYS  25  -2.484   8.777   6.419
  221    H    THR  26           HN       THR  26   3.376   5.943   4.373
  222    HA   THR  26           HA       THR  26   4.921   8.253   5.183
  223    HB   THR  26           HB       THR  26   6.894   6.802   4.642
  224    HG1  THR  26           1HG      THR  26   5.111   5.400   3.330
  225   1HG2  THR  26          1HG2      THR  26   6.757   6.258   6.796
  226   2HG2  THR  26          2HG2      THR  26   5.609   4.975   6.408
  227   3HG2  THR  26          3HG2      THR  26   5.028   6.601   6.771
  228    H    LEU  27           HN       LEU  27   4.078   6.579   2.203
  229    HA   LEU  27           HA       LEU  27   5.912   8.155   0.625
  230   1HB   LEU  27          2HB       LEU  27   4.289   5.785   0.271
  231   2HB   LEU  27          3HB       LEU  27   4.161   6.873  -1.101
  232    HG   LEU  27           HG       LEU  27   6.775   6.914  -0.892
  233   1HD1  LEU  27          1HD1      LEU  27   5.980   4.321   0.412
  234   2HD1  LEU  27          2HD1      LEU  27   7.575   4.614  -0.286
  235   3HD1  LEU  27          3HD1      LEU  27   7.015   5.589   1.073
  236   1HD2  LEU  27          1HD2      LEU  27   6.674   4.683  -2.306
  237   2HD2  LEU  27          2HD2      LEU  27   4.946   5.026  -2.244
  238   3HD2  LEU  27          3HD2      LEU  27   6.057   6.215  -2.924
  239    H    TYR  28           HN       TYR  28   2.384   7.904   0.955
  240    HA   TYR  28           HA       TYR  28   2.175  10.584  -0.237
  241   1HB   TYR  28          2HB       TYR  28   0.062   8.526  -0.743
  242   2HB   TYR  28          3HB       TYR  28   0.491   9.942  -1.698
  243    HD1  TYR  28           1HD      TYR  28   2.398   9.867  -3.236
  244    HD2  TYR  28           2HD      TYR  28   1.234   6.438  -1.012
  245    HE1  TYR  28           1HE      TYR  28   3.734   8.451  -4.738
  246    HE2  TYR  28           2HE      TYR  28   2.571   5.011  -2.499
  247    HH   TYR  28           HH       TYR  28   4.779   6.312  -4.803
  248    HA   PRO  29           HA       PRO  29  -0.218  10.947   3.573
  249   1HB   PRO  29          2HB       PRO  29  -0.095  13.796   3.288
  250   2HB   PRO  29          3HB       PRO  29   0.819  12.776   4.398
  251   1HG   PRO  29          2HG       PRO  29   1.910  14.194   2.291
  252   2HG   PRO  29          3HG       PRO  29   2.667  12.803   3.084
  253   1HD   PRO  29          2HD       PRO  29   1.162  12.935   0.510
  254   2HD   PRO  29          3HD       PRO  29   2.574  11.952   0.949
  255    H    ARG  30           HN       ARG  30  -1.905  10.126   1.902
  256    HA   ARG  30           HA       ARG  30  -3.779  12.293   1.218
  257   1HB   ARG  30          2HB       ARG  30  -3.839   9.484   0.127
  258   2HB   ARG  30          3HB       ARG  30  -4.666  10.905  -0.499
  259   1HG   ARG  30          2HG       ARG  30  -1.674  10.568  -0.466
  260   2HG   ARG  30          3HG       ARG  30  -2.709  10.189  -1.845
  261   1HD   ARG  30          2HD       ARG  30  -2.122  12.858  -0.604
  262   2HD   ARG  30          3HD       ARG  30  -1.912  12.349  -2.279
  263    HE   ARG  30           HE       ARG  30  -4.472  12.218  -2.243
  264   1HH1  ARG  30          2HH1      ARG  30  -2.577  14.510  -0.426
  265   2HH1  ARG  30          1HH1      ARG  30  -3.817  15.718  -0.410
  266   1HH2  ARG  30          2HH2      ARG  30  -6.111  13.805  -2.225
  267   2HH2  ARG  30          1HH2      ARG  30  -5.826  15.317  -1.432
  268    H    GLY  31           HN       GLY  31  -6.088  11.005   0.900
  269   1HA   GLY  31          1HA       GLY  31  -6.702  10.042   3.616
  270   2HA   GLY  31          2HA       GLY  31  -7.848  10.828   2.538
  271    H    GLN  32           HN       GLN  32  -6.885   9.274   0.223
  272    HA   GLN  32           HA       GLN  32  -8.271   6.765   0.852
  273   1HB   GLN  32          2HB       GLN  32  -7.771   7.746  -1.942
  274   2HB   GLN  32          3HB       GLN  32  -9.025   6.659  -1.364
  275   1HG   GLN  32          2HG       GLN  32  -9.396   9.117  -0.036
  276   2HG   GLN  32          3HG       GLN  32  -9.124   9.479  -1.740
  277   1HE2  GLN  32          1HE2      GLN  32 -11.039   9.835  -2.617
  278   2HE2  GLN  32          2HE2      GLN  32 -12.434   8.830  -2.447
  279    H    CYS  33           HN       CYS  33  -5.321   7.763   0.900
  280    HA   CYS  33           HA       CYS  33  -4.109   5.603  -0.676
  281   1HB   CYS  33          2HB       CYS  33  -3.284   8.083  -0.676
  282   2HB   CYS  33          3HB       CYS  33  -2.550   7.662   0.866
  283    H    THR  34           HN       THR  34  -5.045   4.066   0.912
  284    HA   THR  34           HA       THR  34  -3.251   3.779   3.220
  285    HB   THR  34           HB       THR  34  -5.378   4.658   4.019
  286    HG1  THR  34           1HG      THR  34  -4.152   2.822   5.108
  287   1HG2  THR  34          1HG2      THR  34  -7.328   2.877   3.866
  288   2HG2  THR  34          2HG2      THR  34  -6.491   2.436   2.378
  289   3HG2  THR  34          3HG2      THR  34  -7.082   4.083   2.602
  290    H    CYS  35           HN       CYS  35  -5.278   1.341   3.697
  291    HA   CYS  35           HA       CYS  35  -3.646  -0.482   2.094
  292   1HB   CYS  35          2HB       CYS  35  -3.554  -1.556   4.068
  293   2HB   CYS  35          3HB       CYS  35  -4.875  -0.601   4.733
  294    H    SER  36           HN       SER  36  -4.432  -1.666   0.481
  295    HA   SER  36           HA       SER  36  -7.332  -1.953   0.173
  296   1HB   SER  36          2HB       SER  36  -6.991  -0.154  -1.293
  297   2HB   SER  36          3HB       SER  36  -5.419  -0.759  -1.818
  298    HG   SER  36           HG       SER  36  -6.409  -1.770  -3.354
  299    H    ASP  37           HN       ASP  37  -7.666  -4.067   0.201
  300    HA   ASP  37           HA       ASP  37  -5.925  -5.787  -1.430
  301   1HB   ASP  37          2HB       ASP  37  -5.392  -6.064   0.969
  302   2HB   ASP  37          3HB       ASP  37  -7.070  -6.491   1.280
  303    H    SER  38           HN       SER  38  -6.933  -7.783  -2.145
  304    HA   SER  38           HA       SER  38  -9.822  -7.429  -2.548
  305   1HB   SER  38          2HB       SER  38  -8.190  -7.541  -4.537
  306   2HB   SER  38          3HB       SER  38  -8.056  -9.260  -4.165
  307    HG   SER  38           HG       SER  38 -10.605  -8.793  -4.179
  308    H    LYS  39           HN       LYS  39  -7.583 -10.209  -2.503
  309    HA   LYS  39           HA       LYS  39  -8.810 -11.457  -0.277
  310   1HB   LYS  39          2HB       LYS  39  -9.694 -13.444  -1.663
  311   2HB   LYS  39          3HB       LYS  39 -10.679 -11.989  -1.577
  312   1HG   LYS  39          2HG       LYS  39  -9.439 -11.351  -3.775
  313   2HG   LYS  39          3HG       LYS  39  -9.113 -13.083  -3.865
  314   1HD   LYS  39          2HD       LYS  39 -11.099 -13.071  -4.964
  315   2HD   LYS  39          3HD       LYS  39 -11.727 -13.174  -3.318
  316   1HE   LYS  39          2HE       LYS  39 -11.456 -10.490  -3.610
  317   2HE   LYS  39          3HE       LYS  39 -11.851 -10.972  -5.260
  318   1HZ   LYS  39          1HZ       LYS  39 -13.442 -11.580  -2.828
  319   2HZ   LYS  39          2HZ       LYS  39 -13.810 -12.127  -4.385
  320   3HZ   LYS  39          3HZ       LYS  39 -13.848 -10.472  -4.040
  321    H    MET  40           HN       MET  40  -6.203 -10.931  -0.822
  322    HA   MET  40           HA       MET  40  -5.079 -13.621  -0.974
  323   1HB   MET  40          2HB       MET  40  -4.169 -11.303  -2.685
  324   2HB   MET  40          3HB       MET  40  -3.200 -12.744  -2.414
  325   1HG   MET  40          2HG       MET  40  -4.176 -13.531  -4.250
  326   2HG   MET  40          3HG       MET  40  -5.582 -13.803  -3.222
  327   1HE   MET  40          1HE       MET  40  -4.534 -13.081  -6.218
  328   2HE   MET  40          2HE       MET  40  -6.210 -12.958  -6.750
  329   3HE   MET  40          3HE       MET  40  -5.140 -11.562  -6.875
  330    H    ASN  41           HN       ASN  41  -2.504 -13.265  -0.628
  331    HA   ASN  41           HA       ASN  41  -2.320 -12.096   1.996
  332   1HB   ASN  41          2HB       ASN  41  -1.181 -14.259   1.155
  333   2HB   ASN  41          3HB       ASN  41   0.006 -13.183   0.424
  334   1HD2  ASN  41          1HD2      ASN  41  -0.242 -15.136   2.855
  335   2HD2  ASN  41          2HD2      ASN  41   0.601 -14.282   4.097
  336    H    THR  42           HN       THR  42  -1.306 -11.272  -1.254
  337    HA   THR  42           HA       THR  42   0.168  -8.958  -0.228
  338    HB   THR  42           HB       THR  42   0.333  -8.877  -3.002
  339    HG1  THR  42           1HG      THR  42   0.539 -10.903  -3.701
  340   1HG2  THR  42          1HG2      THR  42   2.663 -10.024  -2.351
  341   2HG2  THR  42          2HG2      THR  42   2.106  -9.579  -0.737
  342   3HG2  THR  42          3HG2      THR  42   2.290  -8.340  -1.981
  343    H    HIS  43           HN       HIS  43  -0.325  -6.904  -0.744
  344    HA   HIS  43           HA       HIS  43  -2.605  -6.246  -2.422
  345   1HB   HIS  43          2HB       HIS  43  -3.424  -4.767  -0.416
  346   2HB   HIS  43          3HB       HIS  43  -3.870  -6.468  -0.460
  347    HD1  HIS  43           1HD      HIS  43  -2.013  -8.022   0.885
  348    HD2  HIS  43           2HD      HIS  43  -2.377  -4.036   1.975
  349    HE1  HIS  43           1HE      HIS  43  -1.011  -7.844   3.163
  350    HE2  HIS  43           2HE      HIS  43  -1.118  -5.406   3.752
  351    H    SER  44           HN       SER  44  -2.899  -3.654  -2.072
  352    HA   SER  44           HA       SER  44  -0.395  -2.365  -1.507
  353   1HB   SER  44          2HB       SER  44  -0.133  -1.293  -3.708
  354   2HB   SER  44          3HB       SER  44   0.058  -3.050  -3.791
  355    HG   SER  44           HG       SER  44  -2.004  -3.205  -4.658
  356    H    CYS  45           HN       CYS  45  -1.208   0.012  -3.159
  357    HA   CYS  45           HA       CYS  45  -3.170   0.997  -1.218
  358   1HB   CYS  45          2HB       CYS  45  -0.773   2.052  -2.099
  359   2HB   CYS  45          3HB       CYS  45  -1.982   2.995  -2.967
  360    H    ASP  46           HN       ASP  46  -4.435   2.948  -2.104
  361    HA   ASP  46           HA       ASP  46  -5.395   2.655  -4.819
  362   1HB   ASP  46          2HB       ASP  46  -6.697   1.055  -3.236
  363   2HB   ASP  46          3HB       ASP  46  -7.441   2.526  -2.616
  364    H    CYS  47           HN       CYS  47  -4.003   4.654  -3.234
  365    HA   CYS  47           HA       CYS  47  -5.521   6.755  -2.298
  366   1HB   CYS  47          2HB       CYS  47  -3.327   7.656  -4.006
  367   2HB   CYS  47          3HB       CYS  47  -3.571   7.891  -2.279
  368    H    LYS  48           HN       LYS  48  -5.038   5.640  -5.505
  369    HA   LYS  48           HA       LYS  48  -6.884   7.701  -6.499
  370   1HB   LYS  48          2HB       LYS  48  -4.216   7.739  -7.106
  371   2HB   LYS  48          3HB       LYS  48  -4.869   6.805  -8.444
  372   1HG   LYS  48          2HG       LYS  48  -6.597   8.974  -8.162
  373   2HG   LYS  48          3HG       LYS  48  -4.975   9.639  -7.959
  374   1HD   LYS  48          2HD       LYS  48  -5.251   7.717 -10.162
  375   2HD   LYS  48          3HD       LYS  48  -6.181   9.204 -10.357
  376   1HE   LYS  48          2HE       LYS  48  -4.163  10.525 -10.001
  377   2HE   LYS  48          3HE       LYS  48  -3.228   9.049  -9.760
  378   1HZ   LYS  48          1HZ       LYS  48  -4.709   9.131 -12.236
  379   2HZ   LYS  48          2HZ       LYS  48  -3.105   8.681 -11.949
  380   3HZ   LYS  48          3HZ       LYS  48  -3.507  10.315 -12.112
  381    H    SER  49           HN       SER  49  -8.395   7.015  -7.882
  382    HA   SER  49           HA       SER  49  -9.223   4.387  -7.931
  383   1HB   SER  49          2HB       SER  49 -10.246   6.748  -8.842
  384   2HB   SER  49          3HB       SER  49  -9.919   5.906 -10.358
  385    HG   SER  49           HG       SER  49 -11.393   4.832  -8.183
  386    H    CYS  50           HN       CYS  50  -7.642   2.908  -8.435
  387    HA   CYS  50           HA       CYS  50  -7.021   2.663 -11.276
  388   1HB   CYS  50          2HB       CYS  50  -4.647   2.202 -10.824
  389   2HB   CYS  50          3HB       CYS  50  -5.089   3.835 -10.340
  Start of MODEL    6
    1   1H    ASN   1          1H        ASN   1  -4.377  17.268 -13.262
    2   2H    ASN   1          2H        ASN   1  -5.475  17.955 -14.350
    3   3H    ASN   1          3H        ASN   1  -3.921  17.536 -14.870
    4    HA   ASN   1           HA       ASN   1  -6.273  15.934 -14.681
    5   1HB   ASN   1          2HB       ASN   1  -3.585  15.853 -16.024
    6   2HB   ASN   1          3HB       ASN   1  -4.652  14.454 -16.093
    7   1HD2  ASN   1          1HD2      ASN   1  -6.156  14.403 -17.614
    8   2HD2  ASN   1          2HD2      ASN   1  -6.630  15.737 -18.604
    9    H    LEU   2           HN       LEU   2  -2.961  15.663 -13.442
   10    HA   LEU   2           HA       LEU   2  -3.675  13.159 -12.099
   11   1HB   LEU   2          2HB       LEU   2  -1.109  14.457 -12.884
   12   2HB   LEU   2          3HB       LEU   2  -1.102  13.380 -11.502
   13    HG   LEU   2           HG       LEU   2  -0.435  12.134 -13.434
   14   1HD1  LEU   2          1HD1      LEU   2  -1.761  10.302 -13.139
   15   2HD1  LEU   2          2HD1      LEU   2  -2.247  11.254 -11.736
   16   3HD1  LEU   2          3HD1      LEU   2  -3.256  11.236 -13.182
   17   1HD2  LEU   2          1HD2      LEU   2  -1.386  12.222 -15.493
   18   2HD2  LEU   2          2HD2      LEU   2  -3.006  12.499 -14.857
   19   3HD2  LEU   2          3HD2      LEU   2  -1.847  13.827 -14.925
   20    H    MET   3           HN       MET   3  -2.972  12.857  -9.854
   21    HA   MET   3           HA       MET   3  -2.605  15.258  -8.261
   22   1HB   MET   3          2HB       MET   3  -5.142  14.683  -8.640
   23   2HB   MET   3          3HB       MET   3  -4.836  13.443  -7.432
   24   1HG   MET   3          2HG       MET   3  -4.016  15.208  -5.900
   25   2HG   MET   3          3HG       MET   3  -4.480  16.411  -7.101
   26   1HE   MET   3          1HE       MET   3  -7.013  16.002  -3.818
   27   2HE   MET   3          2HE       MET   3  -5.466  15.155  -3.865
   28   3HE   MET   3          3HE       MET   3  -5.554  16.857  -4.317
   29    H    LYS   4           HN       LYS   4  -3.396  11.793  -8.023
   30    HA   LYS   4           HA       LYS   4  -1.089  11.473  -6.230
   31   1HB   LYS   4          2HB       LYS   4  -2.958   9.537  -5.443
   32   2HB   LYS   4          3HB       LYS   4  -2.438  10.946  -4.530
   33   1HG   LYS   4          2HG       LYS   4  -4.732  11.165  -4.528
   34   2HG   LYS   4          3HG       LYS   4  -4.261  12.190  -5.885
   35   1HD   LYS   4          2HD       LYS   4  -4.555   9.756  -7.089
   36   2HD   LYS   4          3HD       LYS   4  -5.808   9.702  -5.847
   37   1HE   LYS   4          2HE       LYS   4  -5.990  12.256  -6.952
   38   2HE   LYS   4          3HE       LYS   4  -5.735  11.182  -8.326
   39   1HZ   LYS   4          1HZ       LYS   4  -7.963  11.254  -6.414
   40   2HZ   LYS   4          2HZ       LYS   4  -7.569   9.787  -7.158
   41   3HZ   LYS   4          3HZ       LYS   4  -7.999  11.123  -8.101
   42    H    ARG   5           HN       ARG   5  -1.095   8.803  -5.844
   43    HA   ARG   5           HA       ARG   5  -1.517   7.388  -8.316
   44   1HB   ARG   5          2HB       ARG   5   0.983   6.701  -8.337
   45   2HB   ARG   5          3HB       ARG   5   0.516   8.236  -9.054
   46   1HG   ARG   5          2HG       ARG   5   1.142   9.339  -6.899
   47   2HG   ARG   5          3HG       ARG   5   1.790   7.786  -6.367
   48   1HD   ARG   5          2HD       ARG   5   3.687   8.184  -7.451
   49   2HD   ARG   5          3HD       ARG   5   2.804   8.354  -8.968
   50    HE   ARG   5           HE       ARG   5   2.991  10.648  -7.152
   51   1HH1  ARG   5          2HH1      ARG   5   3.809   9.122 -10.176
   52   2HH1  ARG   5          1HH1      ARG   5   4.376  10.584 -10.908
   53   1HH2  ARG   5          2HH2      ARG   5   3.739  12.579  -8.109
   54   2HH2  ARG   5          1HH2      ARG   5   4.338  12.548  -9.734
   55    H    CYS   6           HN       CYS   6  -2.657   5.840  -7.268
   56    HA   CYS   6           HA       CYS   6  -2.207   4.730  -4.784
   57   1HB   CYS   6          2HB       CYS   6  -3.438   2.730  -5.647
   58   2HB   CYS   6          3HB       CYS   6  -4.242   4.258  -5.988
   59    H    THR   7           HN       THR   7  -0.960   3.088  -3.957
   60    HA   THR   7           HA       THR   7   0.871   1.766  -3.741
   61    HB   THR   7           HB       THR   7   0.826  -0.138  -4.980
   62    HG1  THR   7           1HG      THR   7   0.153   1.127  -7.411
   63   1HG2  THR   7          1HG2      THR   7  -1.395  -0.312  -6.300
   64   2HG2  THR   7          2HG2      THR   7  -1.702   1.312  -5.684
   65   3HG2  THR   7          3HG2      THR   7  -1.462  -0.026  -4.561
   66    H    ARG   8           HN       ARG   8   2.823   0.866  -5.290
   67    HA   ARG   8           HA       ARG   8   3.952   3.047  -6.855
   68   1HB   ARG   8          2HB       ARG   8   6.158   2.508  -5.482
   69   2HB   ARG   8          3HB       ARG   8   5.015   3.726  -4.931
   70   1HG   ARG   8          2HG       ARG   8   4.092   1.343  -3.834
   71   2HG   ARG   8          3HG       ARG   8   5.845   1.280  -3.662
   72   1HD   ARG   8          2HD       ARG   8   5.018   3.898  -3.004
   73   2HD   ARG   8          3HD       ARG   8   3.955   2.778  -2.155
   74    HE   ARG   8           HE       ARG   8   5.688   2.376  -0.746
   75   1HH1  ARG   8          2HH1      ARG   8   7.033   3.344  -3.815
   76   2HH1  ARG   8          1HH1      ARG   8   8.674   3.222  -3.275
   77   1HH2  ARG   8          2HH2      ARG   8   7.843   2.220  -0.033
   78   2HH2  ARG   8          1HH2      ARG   8   9.134   2.586  -1.128
   79    H    GLY   9           HN       GLY   9   2.878   0.474  -7.395
   80   1HA   GLY   9          1HA       GLY   9   3.912  -0.749  -9.333
   81   2HA   GLY   9          2HA       GLY   9   5.270  -1.026  -8.246
   82    H    PHE  10           HN       PHE  10   2.405  -0.990  -6.553
   83    HA   PHE  10           HA       PHE  10   1.224  -2.573  -5.432
   84   1HB   PHE  10          2HB       PHE  10   0.695  -3.000  -8.004
   85   2HB   PHE  10          3HB       PHE  10   1.530  -4.514  -7.679
   86    HD1  PHE  10           1HD      PHE  10  -1.579  -3.083  -7.881
   87    HD2  PHE  10           2HD      PHE  10   0.706  -5.596  -5.317
   88    HE1  PHE  10           1HE      PHE  10  -3.657  -4.018  -6.952
   89    HE2  PHE  10           2HE      PHE  10  -1.367  -6.535  -4.383
   90    HZ   PHE  10           HZ       PHE  10  -3.552  -5.747  -5.201
   91    H    ARG  11           HN       ARG  11   2.901  -2.925  -3.863
   92    HA   ARG  11           HA       ARG  11   3.876  -5.630  -3.959
   93   1HB   ARG  11          2HB       ARG  11   6.247  -4.926  -3.474
   94   2HB   ARG  11          3HB       ARG  11   5.692  -4.644  -5.116
   95   1HG   ARG  11          2HG       ARG  11   6.296  -2.528  -4.932
   96   2HG   ARG  11          3HG       ARG  11   5.108  -2.311  -3.643
   97   1HD   ARG  11          2HD       ARG  11   6.703  -2.183  -2.100
   98   2HD   ARG  11          3HD       ARG  11   7.443  -3.679  -2.667
   99    HE   ARG  11           HE       ARG  11   8.448  -2.110  -4.454
  100   1HH1  ARG  11          2HH1      ARG  11   7.843  -1.282  -1.124
  101   2HH1  ARG  11          1HH1      ARG  11   9.116  -0.110  -1.050
  102   1HH2  ARG  11          2HH2      ARG  11  10.124  -0.565  -4.367
  103   2HH2  ARG  11          1HH2      ARG  11  10.411   0.299  -2.892
  104    H    LYS  12           HN       LYS  12   2.063  -4.837  -2.222
  105    HA   LYS  12           HA       LYS  12   3.507  -4.471   0.324
  106   1HB   LYS  12          2HB       LYS  12   0.605  -3.897  -0.346
  107   2HB   LYS  12          3HB       LYS  12   1.286  -3.787   1.263
  108   1HG   LYS  12          2HG       LYS  12   1.004  -1.597   0.100
  109   2HG   LYS  12          3HG       LYS  12   2.648  -1.925   0.649
  110   1HD   LYS  12          2HD       LYS  12   3.351  -2.445  -1.575
  111   2HD   LYS  12          3HD       LYS  12   1.688  -2.414  -2.165
  112   1HE   LYS  12          2HE       LYS  12   1.677   0.027  -1.340
  113   2HE   LYS  12          3HE       LYS  12   3.433  -0.129  -1.312
  114   1HZ   LYS  12          1HZ       LYS  12   1.689  -0.548  -3.680
  115   2HZ   LYS  12          2HZ       LYS  12   3.370  -0.728  -3.660
  116   3HZ   LYS  12          3HZ       LYS  12   2.680   0.795  -3.403
  117    H    LEU  13           HN       LEU  13   2.644  -5.857   2.155
  118    HA   LEU  13           HA       LEU  13   1.102  -8.173   1.283
  119   1HB   LEU  13          2HB       LEU  13   2.929  -9.674   2.329
  120   2HB   LEU  13          3HB       LEU  13   3.116  -9.095   0.685
  121    HG   LEU  13           HG       LEU  13   4.370  -7.136   2.176
  122   1HD1  LEU  13          1HD1      LEU  13   5.815  -9.375   3.255
  123   2HD1  LEU  13          2HD1      LEU  13   5.192  -7.942   4.072
  124   3HD1  LEU  13          3HD1      LEU  13   4.159  -9.356   3.862
  125   1HD2  LEU  13          1HD2      LEU  13   5.189  -7.974   0.084
  126   2HD2  LEU  13          2HD2      LEU  13   6.450  -8.185   1.300
  127   3HD2  LEU  13          3HD2      LEU  13   5.484  -9.567   0.784
  128    H    GLY  14           HN       GLY  14   0.422  -9.605   2.945
  129   1HA   GLY  14          1HA       GLY  14   0.190 -10.247   5.229
  130   2HA   GLY  14          2HA       GLY  14   0.755  -8.656   5.705
  131    H    LYS  15           HN       LYS  15  -1.903  -9.793   3.585
  132    HA   LYS  15           HA       LYS  15  -3.993  -8.764   3.341
  133   1HB   LYS  15          2HB       LYS  15  -3.739 -10.531   5.645
  134   2HB   LYS  15          3HB       LYS  15  -5.090  -9.418   5.807
  135   1HG   LYS  15          2HG       LYS  15  -4.838 -10.757   3.197
  136   2HG   LYS  15          3HG       LYS  15  -5.247 -11.792   4.566
  137   1HD   LYS  15          2HD       LYS  15  -6.714  -9.224   4.074
  138   2HD   LYS  15          3HD       LYS  15  -7.164 -10.706   3.229
  139   1HE   LYS  15          2HE       LYS  15  -8.041 -11.651   5.082
  140   2HE   LYS  15          3HE       LYS  15  -6.815 -10.958   6.142
  141   1HZ   LYS  15          1HZ       LYS  15  -9.070  -9.421   4.979
  142   2HZ   LYS  15          2HZ       LYS  15  -7.962  -8.879   6.136
  143   3HZ   LYS  15          3HZ       LYS  15  -9.076 -10.088   6.534
  144    H    CYS  16           HN       CYS  16  -3.417  -6.519   3.318
  145    HA   CYS  16           HA       CYS  16  -3.410  -4.357   4.030
  146   1HB   CYS  16          2HB       CYS  16  -5.863  -5.592   4.950
  147   2HB   CYS  16          3HB       CYS  16  -5.375  -4.283   6.023
  148    H    THR  17           HN       THR  17  -1.382  -5.581   5.108
  149    HA   THR  17           HA       THR  17  -1.271  -5.617   7.946
  150    HB   THR  17           HB       THR  17   0.534  -6.109   5.698
  151    HG1  THR  17           1HG      THR  17   0.665  -7.116   8.355
  152   1HG2  THR  17          1HG2      THR  17   2.618  -5.820   7.007
  153   2HG2  THR  17          2HG2      THR  17   1.695  -4.983   8.254
  154   3HG2  THR  17          3HG2      THR  17   1.830  -4.285   6.639
  155    H    THR  18           HN       THR  18  -0.144  -4.185   9.348
  156    HA   THR  18           HA       THR  18  -0.656  -1.487   9.070
  157    HB   THR  18           HB       THR  18   1.155  -3.071  10.813
  158    HG1  THR  18           1HG      THR  18  -0.590  -0.921  11.457
  159   1HG2  THR  18          1HG2      THR  18   2.767  -1.526  10.923
  160   2HG2  THR  18          2HG2      THR  18   1.580  -0.446  11.655
  161   3HG2  THR  18          3HG2      THR  18   1.855  -0.407   9.911
  162    H    LEU  19           HN       LEU  19   2.405  -3.188   8.476
  163    HA   LEU  19           HA       LEU  19   4.016  -1.106   7.683
  164   1HB   LEU  19          2HB       LEU  19   4.691  -3.486   7.889
  165   2HB   LEU  19          3HB       LEU  19   3.879  -3.809   6.370
  166    HG   LEU  19           HG       LEU  19   5.775  -1.616   6.163
  167   1HD1  LEU  19          1HD1      LEU  19   7.754  -3.129   6.256
  168   2HD1  LEU  19          2HD1      LEU  19   7.017  -2.758   7.818
  169   3HD1  LEU  19          3HD1      LEU  19   6.721  -4.318   7.052
  170   1HD2  LEU  19          1HD2      LEU  19   4.621  -2.920   4.337
  171   2HD2  LEU  19          2HD2      LEU  19   6.362  -2.706   4.157
  172   3HD2  LEU  19          3HD2      LEU  19   5.716  -4.249   4.716
  173    H    GLU  20           HN       GLU  20   1.726  -2.943   5.761
  174    HA   GLU  20           HA       GLU  20   2.265  -1.614   3.347
  175   1HB   GLU  20          2HB       GLU  20   0.857  -3.124   2.481
  176   2HB   GLU  20          3HB       GLU  20   0.725  -3.779   4.104
  177   1HG   GLU  20          2HG       GLU  20  -1.472  -3.514   3.666
  178   2HG   GLU  20          3HG       GLU  20  -1.142  -1.901   4.293
  179    H    GLU  21           HN       GLU  21  -0.208  -1.030   5.838
  180    HA   GLU  21           HA       GLU  21  -1.459   1.102   4.442
  181   1HB   GLU  21          2HB       GLU  21  -2.754   1.432   6.355
  182   2HB   GLU  21          3HB       GLU  21  -2.357  -0.277   6.435
  183   1HG   GLU  21          2HG       GLU  21  -0.820   0.038   8.154
  184   2HG   GLU  21          3HG       GLU  21  -0.721   1.776   7.870
  185    H    GLU  22           HN       GLU  22   1.406   0.815   6.306
  186    HA   GLU  22           HA       GLU  22   1.693   3.623   6.886
  187   1HB   GLU  22          2HB       GLU  22   3.174   1.126   7.433
  188   2HB   GLU  22          3HB       GLU  22   4.179   2.547   7.217
  189   1HG   GLU  22          2HG       GLU  22   2.010   3.216   8.931
  190   2HG   GLU  22          3HG       GLU  22   2.761   1.731   9.510
  191    H    LYS  23           HN       LYS  23   2.953   1.253   4.607
  192    HA   LYS  23           HA       LYS  23   4.884   2.698   3.277
  193   1HB   LYS  23          2HB       LYS  23   4.579   0.399   2.729
  194   2HB   LYS  23          3HB       LYS  23   2.896   0.648   2.292
  195   1HG   LYS  23          2HG       LYS  23   3.500   0.931   0.170
  196   2HG   LYS  23          3HG       LYS  23   4.507   2.306   0.651
  197   1HD   LYS  23          2HD       LYS  23   5.892   0.705  -0.454
  198   2HD   LYS  23          3HD       LYS  23   6.307   0.705   1.254
  199   1HE   LYS  23          2HE       LYS  23   4.297  -1.202   1.009
  200   2HE   LYS  23          3HE       LYS  23   5.316  -1.443  -0.410
  201   1HZ   LYS  23          1HZ       LYS  23   6.709  -2.535   0.899
  202   2HZ   LYS  23          2HZ       LYS  23   5.832  -2.132   2.287
  203   3HZ   LYS  23          3HZ       LYS  23   7.039  -1.092   1.719
  204    H    CYS  24           HN       CYS  24   1.418   2.546   2.654
  205    HA   CYS  24           HA       CYS  24   1.360   4.414   0.536
  206   1HB   CYS  24          2HB       CYS  24  -0.926   3.858   2.408
  207   2HB   CYS  24          3HB       CYS  24  -0.979   4.247   0.694
  208    H    LYS  25           HN       LYS  25   0.732   4.699   3.995
  209    HA   LYS  25           HA       LYS  25  -0.092   7.367   4.024
  210   1HB   LYS  25          2HB       LYS  25   0.268   5.361   5.904
  211   2HB   LYS  25          3HB       LYS  25   1.404   6.607   6.401
  212   1HG   LYS  25          2HG       LYS  25  -0.577   7.076   7.555
  213   2HG   LYS  25          3HG       LYS  25  -0.532   8.238   6.227
  214   1HD   LYS  25          2HD       LYS  25  -1.884   5.681   5.655
  215   2HD   LYS  25          3HD       LYS  25  -2.684   6.726   6.832
  216   1HE   LYS  25          2HE       LYS  25  -1.701   8.040   4.374
  217   2HE   LYS  25          3HE       LYS  25  -3.049   6.921   4.170
  218   1HZ   LYS  25          1HZ       LYS  25  -3.941   9.067   4.563
  219   2HZ   LYS  25          2HZ       LYS  25  -2.951   9.320   5.911
  220   3HZ   LYS  25          3HZ       LYS  25  -4.193   8.173   5.978
  221    H    THR  26           HN       THR  26   3.024   6.274   5.328
  222    HA   THR  26           HA       THR  26   4.281   8.690   5.487
  223    HB   THR  26           HB       THR  26   6.430   7.483   5.351
  224    HG1  THR  26           1HG      THR  26   5.456   5.944   3.702
  225   1HG2  THR  26          1HG2      THR  26   6.142   6.685   7.430
  226   2HG2  THR  26          2HG2      THR  26   4.884   5.559   6.921
  227   3HG2  THR  26          3HG2      THR  26   4.478   7.242   7.260
  228    H    LEU  27           HN       LEU  27   4.057   6.627   2.603
  229    HA   LEU  27           HA       LEU  27   5.836   8.280   1.076
  230   1HB   LEU  27          2HB       LEU  27   4.539   5.759   0.777
  231   2HB   LEU  27          3HB       LEU  27   4.183   6.742  -0.630
  232    HG   LEU  27           HG       LEU  27   6.836   7.152  -0.397
  233   1HD1  LEU  27          1HD1      LEU  27   7.007   5.562   1.470
  234   2HD1  LEU  27          2HD1      LEU  27   6.354   4.293   0.431
  235   3HD1  LEU  27          3HD1      LEU  27   7.917   5.021   0.058
  236   1HD2  LEU  27          1HD2      LEU  27   5.249   5.125  -1.911
  237   2HD2  LEU  27          2HD2      LEU  27   5.968   6.632  -2.483
  238   3HD2  LEU  27          3HD2      LEU  27   6.996   5.248  -2.115
  239    H    TYR  28           HN       TYR  28   2.366   8.047   1.500
  240    HA   TYR  28           HA       TYR  28   2.063  10.522  -0.033
  241   1HB   TYR  28          2HB       TYR  28   0.081   8.292  -0.383
  242   2HB   TYR  28          3HB       TYR  28   0.347   9.700  -1.404
  243    HD1  TYR  28           1HD      TYR  28   2.201   9.741  -2.998
  244    HD2  TYR  28           2HD      TYR  28   1.444   6.287  -0.633
  245    HE1  TYR  28           1HE      TYR  28   3.613   8.409  -4.502
  246    HE2  TYR  28           2HE      TYR  28   2.862   4.946  -2.127
  247    HH   TYR  28           HH       TYR  28   4.090   4.930  -3.973
  248    HA   PRO  29           HA       PRO  29  -0.362  11.115   3.740
  249   1HB   PRO  29          2HB       PRO  29  -0.342  13.795   3.720
  250   2HB   PRO  29          3HB       PRO  29   1.094  12.867   4.170
  251   1HG   PRO  29          2HG       PRO  29   0.438  14.204   1.575
  252   2HG   PRO  29          3HG       PRO  29   1.978  14.157   2.452
  253   1HD   PRO  29          2HD       PRO  29   1.368  12.536   0.318
  254   2HD   PRO  29          3HD       PRO  29   2.549  12.123   1.576
  255    H    ARG  30           HN       ARG  30  -1.709  10.351   1.419
  256    HA   ARG  30           HA       ARG  30  -3.646  12.356   0.694
  257   1HB   ARG  30          2HB       ARG  30  -3.006   9.579  -0.114
  258   2HB   ARG  30          3HB       ARG  30  -4.679  10.081  -0.311
  259   1HG   ARG  30          2HG       ARG  30  -3.891  10.710  -2.338
  260   2HG   ARG  30          3HG       ARG  30  -3.509  12.182  -1.444
  261   1HD   ARG  30          2HD       ARG  30  -1.243  11.076  -0.976
  262   2HD   ARG  30          3HD       ARG  30  -1.676   9.952  -2.264
  263    HE   ARG  30           HE       ARG  30  -1.330  11.621  -3.808
  264   1HH1  ARG  30          2HH1      ARG  30  -1.358  12.981  -0.599
  265   2HH1  ARG  30          1HH1      ARG  30  -0.788  14.534  -1.114
  266   1HH2  ARG  30          2HH2      ARG  30  -0.581  13.660  -4.492
  267   2HH2  ARG  30          1HH2      ARG  30  -0.348  14.920  -3.328
  268    H    GLY  31           HN       GLY  31  -6.009  11.320   0.561
  269   1HA   GLY  31          1HA       GLY  31  -6.721  10.678   3.348
  270   2HA   GLY  31          2HA       GLY  31  -7.779  11.476   2.188
  271    H    GLN  32           HN       GLN  32  -6.469   9.359   0.269
  272    HA   GLN  32           HA       GLN  32  -8.176   7.101   1.050
  273   1HB   GLN  32          2HB       GLN  32  -7.873   8.118  -1.779
  274   2HB   GLN  32          3HB       GLN  32  -8.921   6.816  -1.230
  275   1HG   GLN  32          2HG       GLN  32 -10.555   8.263  -0.912
  276   2HG   GLN  32          3HG       GLN  32  -9.570   9.127   0.268
  277   1HE2  GLN  32          1HE2      GLN  32  -9.188   8.737  -3.228
  278   2HE2  GLN  32          2HE2      GLN  32  -9.233  10.424  -3.598
  279    H    CYS  33           HN       CYS  33  -5.193   7.886   0.937
  280    HA   CYS  33           HA       CYS  33  -4.199   5.635  -0.662
  281   1HB   CYS  33          2HB       CYS  33  -3.134   7.897  -0.939
  282   2HB   CYS  33          3HB       CYS  33  -2.585   7.783   0.728
  283    H    THR  34           HN       THR  34  -5.361   4.400   1.129
  284    HA   THR  34           HA       THR  34  -3.555   4.018   3.414
  285    HB   THR  34           HB       THR  34  -5.857   4.760   3.950
  286    HG1  THR  34           1HG      THR  34  -5.300   3.688   5.692
  287   1HG2  THR  34          1HG2      THR  34  -6.709   3.116   1.990
  288   2HG2  THR  34          2HG2      THR  34  -7.740   3.681   3.305
  289   3HG2  THR  34          3HG2      THR  34  -6.991   2.088   3.395
  290    H    CYS  35           HN       CYS  35  -5.222   1.441   3.890
  291    HA   CYS  35           HA       CYS  35  -3.523  -0.212   2.183
  292   1HB   CYS  35          2HB       CYS  35  -3.539  -1.813   3.832
  293   2HB   CYS  35          3HB       CYS  35  -3.731  -0.362   4.802
  294    H    SER  36           HN       SER  36  -4.288  -1.436   0.604
  295    HA   SER  36           HA       SER  36  -7.154  -2.060   0.516
  296   1HB   SER  36          2HB       SER  36  -5.784  -0.233  -1.219
  297   2HB   SER  36          3HB       SER  36  -6.301  -1.635  -2.156
  298    HG   SER  36           HG       SER  36  -8.336  -1.114  -1.840
  299    H    ASP  37           HN       ASP  37  -7.453  -4.162   0.262
  300    HA   ASP  37           HA       ASP  37  -5.378  -5.722  -1.127
  301   1HB   ASP  37          2HB       ASP  37  -5.336  -6.225   1.252
  302   2HB   ASP  37          3HB       ASP  37  -7.068  -6.542   1.244
  303    H    SER  38           HN       SER  38  -6.048  -7.500  -2.360
  304    HA   SER  38           HA       SER  38  -8.792  -7.266  -3.373
  305   1HB   SER  38          2HB       SER  38  -6.827  -7.111  -4.948
  306   2HB   SER  38          3HB       SER  38  -6.480  -8.798  -4.563
  307    HG   SER  38           HG       SER  38  -7.734  -8.741  -6.412
  308    H    LYS  39           HN       LYS  39  -7.901  -8.645  -0.891
  309    HA   LYS  39           HA       LYS  39  -8.617 -10.431   0.322
  310   1HB   LYS  39          2HB       LYS  39  -9.964 -11.157  -2.275
  311   2HB   LYS  39          3HB       LYS  39 -10.032 -12.202  -0.863
  312   1HG   LYS  39          2HG       LYS  39 -11.956 -11.035  -0.563
  313   2HG   LYS  39          3HG       LYS  39 -10.842  -9.981   0.309
  314   1HD   LYS  39          2HD       LYS  39 -11.324  -8.299  -1.063
  315   2HD   LYS  39          3HD       LYS  39 -10.821  -9.263  -2.454
  316   1HE   LYS  39          2HE       LYS  39 -12.982 -10.056  -2.835
  317   2HE   LYS  39          3HE       LYS  39 -13.522  -9.636  -1.210
  318   1HZ   LYS  39          1HZ       LYS  39 -12.741  -7.609  -3.226
  319   2HZ   LYS  39          2HZ       LYS  39 -13.551  -7.354  -1.763
  320   3HZ   LYS  39          3HZ       LYS  39 -14.332  -8.151  -3.033
  321    H    MET  40           HN       MET  40  -6.068 -10.300  -0.729
  322    HA   MET  40           HA       MET  40  -5.413 -13.149  -0.922
  323   1HB   MET  40          2HB       MET  40  -4.257 -10.985  -2.690
  324   2HB   MET  40          3HB       MET  40  -3.658 -12.635  -2.604
  325   1HG   MET  40          2HG       MET  40  -6.443 -11.869  -3.447
  326   2HG   MET  40          3HG       MET  40  -5.111 -12.197  -4.554
  327   1HE   MET  40          1HE       MET  40  -6.470 -14.120  -5.845
  328   2HE   MET  40          2HE       MET  40  -4.739 -14.346  -5.591
  329   3HE   MET  40          3HE       MET  40  -5.846 -15.700  -5.367
  330    H    ASN  41           HN       ASN  41  -2.931 -13.407  -0.648
  331    HA   ASN  41           HA       ASN  41  -2.226 -12.324   1.866
  332   1HB   ASN  41          2HB       ASN  41  -1.430 -14.521   0.843
  333   2HB   ASN  41          3HB       ASN  41  -0.296 -13.560  -0.100
  334   1HD2  ASN  41          1HD2      ASN  41   1.060 -15.175   1.210
  335   2HD2  ASN  41          2HD2      ASN  41   1.689 -14.576   2.705
  336    H    THR  42           HN       THR  42  -1.502 -11.384  -1.430
  337    HA   THR  42           HA       THR  42   0.167  -9.197  -0.389
  338    HB   THR  42           HB       THR  42   0.465  -9.087  -3.121
  339    HG1  THR  42           1HG      THR  42  -0.625 -11.320  -2.917
  340   1HG2  THR  42          1HG2      THR  42   2.028  -9.771  -0.797
  341   2HG2  THR  42          2HG2      THR  42   2.527  -8.955  -2.281
  342   3HG2  THR  42          3HG2      THR  42   2.542 -10.717  -2.195
  343    H    HIS  43           HN       HIS  43  -0.251  -7.135  -0.876
  344    HA   HIS  43           HA       HIS  43  -2.448  -6.363  -2.621
  345   1HB   HIS  43          2HB       HIS  43  -3.280  -4.902  -0.611
  346   2HB   HIS  43          3HB       HIS  43  -3.764  -6.596  -0.683
  347    HD1  HIS  43           1HD      HIS  43  -2.123  -8.229   0.723
  348    HD2  HIS  43           2HD      HIS  43  -2.084  -4.207   1.731
  349    HE1  HIS  43           1HE      HIS  43  -1.075  -8.106   2.980
  350    HE2  HIS  43           2HE      HIS  43  -0.935  -5.659   3.521
  351    H    SER  44           HN       SER  44  -2.647  -3.720  -1.990
  352    HA   SER  44           HA       SER  44  -0.057  -2.620  -1.445
  353   1HB   SER  44          2HB       SER  44   0.177  -1.385  -3.579
  354   2HB   SER  44          3HB       SER  44   0.332  -3.136  -3.764
  355    HG   SER  44           HG       SER  44  -2.035  -3.013  -4.270
  356    H    CYS  45           HN       CYS  45  -0.901  -0.131  -3.006
  357    HA   CYS  45           HA       CYS  45  -2.695   0.856  -0.908
  358   1HB   CYS  45          2HB       CYS  45  -1.011   2.494  -2.807
  359   2HB   CYS  45          3HB       CYS  45  -1.826   3.049  -1.348
  360    H    ASP  46           HN       ASP  46  -3.938   2.922  -1.766
  361    HA   ASP  46           HA       ASP  46  -5.045   2.542  -4.423
  362   1HB   ASP  46          2HB       ASP  46  -6.317   1.065  -2.729
  363   2HB   ASP  46          3HB       ASP  46  -6.957   2.578  -2.096
  364    H    CYS  47           HN       CYS  47  -3.498   4.602  -3.262
  365    HA   CYS  47           HA       CYS  47  -4.948   6.792  -2.313
  366   1HB   CYS  47          2HB       CYS  47  -2.751   7.453  -4.150
  367   2HB   CYS  47          3HB       CYS  47  -2.986   7.913  -2.468
  368    H    LYS  48           HN       LYS  48  -4.726   5.394  -5.431
  369    HA   LYS  48           HA       LYS  48  -6.437   7.527  -6.514
  370   1HB   LYS  48          2HB       LYS  48  -3.947   7.471  -7.316
  371   2HB   LYS  48          3HB       LYS  48  -4.474   6.090  -8.268
  372   1HG   LYS  48          2HG       LYS  48  -6.311   8.278  -8.580
  373   2HG   LYS  48          3HG       LYS  48  -4.661   8.791  -8.940
  374   1HD   LYS  48          2HD       LYS  48  -5.524   6.192 -10.061
  375   2HD   LYS  48          3HD       LYS  48  -6.261   7.638 -10.752
  376   1HE   LYS  48          2HE       LYS  48  -4.422   7.498 -12.087
  377   2HE   LYS  48          3HE       LYS  48  -3.744   8.460 -10.775
  378   1HZ   LYS  48          1HZ       LYS  48  -3.244   6.033  -9.861
  379   2HZ   LYS  48          2HZ       LYS  48  -2.171   6.863 -10.871
  380   3HZ   LYS  48          3HZ       LYS  48  -3.209   5.696 -11.519
  381    H    SER  49           HN       SER  49  -8.176   6.864  -7.577
  382    HA   SER  49           HA       SER  49  -9.210   4.320  -7.296
  383   1HB   SER  49          2HB       SER  49 -10.386   6.505  -7.977
  384   2HB   SER  49          3HB       SER  49  -9.932   6.086  -9.627
  385    HG   SER  49           HG       SER  49 -11.745   4.838  -7.902
  386    H    CYS  50           HN       CYS  50  -7.853   2.671  -7.888
  387    HA   CYS  50           HA       CYS  50  -7.546   2.261 -10.773
  388   1HB   CYS  50          2HB       CYS  50  -5.244   1.394 -10.410
  389   2HB   CYS  50          3HB       CYS  50  -5.394   3.113 -10.061
  Start of MODEL    7
    1   1H    ASN   1          1H        ASN   1  -6.386  21.819  -4.970
    2   2H    ASN   1          2H        ASN   1  -5.597  22.494  -6.305
    3   3H    ASN   1          3H        ASN   1  -4.722  21.591  -5.174
    4    HA   ASN   1           HA       ASN   1  -6.499  19.769  -5.850
    5   1HB   ASN   1          2HB       ASN   1  -7.223  21.725  -7.532
    6   2HB   ASN   1          3HB       ASN   1  -5.976  20.975  -8.524
    7   1HD2  ASN   1          1HD2      ASN   1  -8.991  20.410  -6.825
    8   2HD2  ASN   1          2HD2      ASN   1  -9.483  19.045  -7.764
    9    H    LEU   2           HN       LEU   2  -5.364  17.963  -6.284
   10    HA   LEU   2           HA       LEU   2  -2.917  18.057  -7.823
   11   1HB   LEU   2          2HB       LEU   2  -2.894  18.117  -4.938
   12   2HB   LEU   2          3HB       LEU   2  -2.135  16.649  -5.525
   13    HG   LEU   2           HG       LEU   2  -1.181  18.931  -7.012
   14   1HD1  LEU   2          1HD1      LEU   2  -1.805  20.063  -4.853
   15   2HD1  LEU   2          2HD1      LEU   2  -0.615  19.033  -4.058
   16   3HD1  LEU   2          3HD1      LEU   2  -0.102  20.172  -5.303
   17   1HD2  LEU   2          1HD2      LEU   2   0.943  17.960  -5.657
   18   2HD2  LEU   2          2HD2      LEU   2  -0.156  16.584  -5.563
   19   3HD2  LEU   2          3HD2      LEU   2   0.303  17.241  -7.134
   20    H    MET   3           HN       MET   3  -2.025  15.905  -8.223
   21    HA   MET   3           HA       MET   3  -4.115  13.839  -8.066
   22   1HB   MET   3          2HB       MET   3  -2.316  14.714 -10.205
   23   2HB   MET   3          3HB       MET   3  -2.331  12.970  -9.976
   24   1HG   MET   3          2HG       MET   3  -4.791  13.002 -10.183
   25   2HG   MET   3          3HG       MET   3  -4.711  14.731 -10.517
   26   1HE   MET   3          1HE       MET   3  -5.127  11.403 -12.606
   27   2HE   MET   3          2HE       MET   3  -6.165  12.715 -12.048
   28   3HE   MET   3          3HE       MET   3  -5.677  12.636 -13.741
   29    H    LYS   4           HN       LYS   4  -3.474  11.655  -7.675
   30    HA   LYS   4           HA       LYS   4  -0.892  11.437  -6.274
   31   1HB   LYS   4          2HB       LYS   4  -2.723   9.387  -5.456
   32   2HB   LYS   4          3HB       LYS   4  -1.944  10.626  -4.482
   33   1HG   LYS   4          2HG       LYS   4  -4.078  11.220  -4.080
   34   2HG   LYS   4          3HG       LYS   4  -3.876  12.106  -5.594
   35   1HD   LYS   4          2HD       LYS   4  -4.612   9.511  -6.335
   36   2HD   LYS   4          3HD       LYS   4  -5.653   9.924  -4.972
   37   1HE   LYS   4          2HE       LYS   4  -5.253  11.634  -7.422
   38   2HE   LYS   4          3HE       LYS   4  -6.618  10.551  -7.163
   39   1HZ   LYS   4          1HZ       LYS   4  -6.346  12.215  -4.920
   40   2HZ   LYS   4          2HZ       LYS   4  -7.626  12.139  -6.023
   41   3HZ   LYS   4          3HZ       LYS   4  -6.330  13.190  -6.304
   42    H    ARG   5           HN       ARG   5  -0.723   8.770  -5.892
   43    HA   ARG   5           HA       ARG   5  -1.176   7.362  -8.378
   44   1HB   ARG   5          2HB       ARG   5   1.325   6.748  -8.463
   45   2HB   ARG   5          3HB       ARG   5   0.840   8.320  -9.084
   46   1HG   ARG   5          2HG       ARG   5   1.488   9.315  -6.899
   47   2HG   ARG   5          3HG       ARG   5   2.113   7.736  -6.420
   48   1HD   ARG   5          2HD       ARG   5   3.431   7.919  -8.677
   49   2HD   ARG   5          3HD       ARG   5   3.135   9.646  -8.473
   50    HE   ARG   5           HE       ARG   5   4.436   8.058  -6.361
   51   1HH1  ARG   5          2HH1      ARG   5   4.411  10.759  -8.566
   52   2HH1  ARG   5          1HH1      ARG   5   5.824  11.493  -7.884
   53   1HH2  ARG   5          2HH2      ARG   5   6.293   9.019  -5.458
   54   2HH2  ARG   5          1HH2      ARG   5   6.892  10.505  -6.116
   55    H    CYS   6           HN       CYS   6  -2.402   5.985  -7.050
   56    HA   CYS   6           HA       CYS   6  -1.759   4.828  -4.665
   57   1HB   CYS   6          2HB       CYS   6  -3.431   3.289  -5.073
   58   2HB   CYS   6          3HB       CYS   6  -3.833   4.533  -6.250
   59    H    THR   7           HN       THR   7  -0.415   3.286  -3.907
   60    HA   THR   7           HA       THR   7   1.356   1.868  -3.800
   61    HB   THR   7           HB       THR   7   1.119  -0.086  -4.927
   62    HG1  THR   7           1HG      THR   7   0.441   0.036  -7.289
   63   1HG2  THR   7          1HG2      THR   7  -1.393   1.011  -6.127
   64   2HG2  THR   7          2HG2      THR   7  -1.228   0.913  -4.374
   65   3HG2  THR   7          3HG2      THR   7  -1.109  -0.549  -5.354
   66    H    ARG   8           HN       ARG   8   3.354   1.058  -4.959
   67    HA   ARG   8           HA       ARG   8   4.380   3.127  -6.789
   68   1HB   ARG   8          2HB       ARG   8   6.500   1.716  -5.442
   69   2HB   ARG   8          3HB       ARG   8   6.173   3.441  -5.484
   70   1HG   ARG   8          2HG       ARG   8   4.309   2.246  -3.716
   71   2HG   ARG   8          3HG       ARG   8   5.919   1.642  -3.317
   72   1HD   ARG   8          2HD       ARG   8   4.911   3.962  -2.397
   73   2HD   ARG   8          3HD       ARG   8   6.629   3.651  -2.599
   74    HE   ARG   8           HE       ARG   8   4.953   5.152  -4.498
   75   1HH1  ARG   8          2HH1      ARG   8   8.054   4.375  -3.110
   76   2HH1  ARG   8          1HH1      ARG   8   8.897   5.613  -3.979
   77   1HH2  ARG   8          2HH2      ARG   8   6.054   6.786  -5.645
   78   2HH2  ARG   8          1HH2      ARG   8   7.760   6.987  -5.416
   79    H    GLY   9           HN       GLY   9   2.987   0.657  -7.312
   80   1HA   GLY   9          1HA       GLY   9   3.572  -0.466  -9.473
   81   2HA   GLY   9          2HA       GLY   9   5.092  -0.882  -8.690
   82    H    PHE  10           HN       PHE  10   2.329  -0.869  -6.684
   83    HA   PHE  10           HA       PHE  10   1.191  -2.491  -5.577
   84   1HB   PHE  10          2HB       PHE  10   0.183  -3.015  -7.695
   85   2HB   PHE  10          3HB       PHE  10   1.614  -3.898  -8.210
   86    HD1  PHE  10           1HD      PHE  10  -0.838  -3.946  -5.408
   87    HD2  PHE  10           2HD      PHE  10   1.502  -6.182  -8.164
   88    HE1  PHE  10           1HE      PHE  10  -1.822  -6.031  -4.542
   89    HE2  PHE  10           2HE      PHE  10   0.526  -8.273  -7.307
   90    HZ   PHE  10           HZ       PHE  10  -1.139  -8.198  -5.493
   91    H    ARG  11           HN       ARG  11   2.621  -2.954  -3.911
   92    HA   ARG  11           HA       ARG  11   3.784  -5.539  -4.004
   93   1HB   ARG  11          2HB       ARG  11   6.139  -4.792  -3.542
   94   2HB   ARG  11          3HB       ARG  11   5.572  -4.515  -5.181
   95   1HG   ARG  11          2HG       ARG  11   6.098  -2.378  -5.002
   96   2HG   ARG  11          3HG       ARG  11   4.962  -2.205  -3.661
   97   1HD   ARG  11          2HD       ARG  11   6.655  -1.929  -2.257
   98   2HD   ARG  11          3HD       ARG  11   7.273  -3.524  -2.689
   99    HE   ARG  11           HE       ARG  11   8.705  -2.510  -4.271
  100   1HH1  ARG  11          2HH1      ARG  11   6.864  -0.205  -2.418
  101   2HH1  ARG  11          1HH1      ARG  11   7.894   1.130  -2.815
  102   1HH2  ARG  11          2HH2      ARG  11  10.064  -0.760  -4.801
  103   2HH2  ARG  11          1HH2      ARG  11   9.712   0.815  -4.171
  104    H    LYS  12           HN       LYS  12   1.969  -4.833  -2.257
  105    HA   LYS  12           HA       LYS  12   3.426  -4.397   0.270
  106   1HB   LYS  12          2HB       LYS  12   0.519  -3.845  -0.403
  107   2HB   LYS  12          3HB       LYS  12   1.185  -3.753   1.219
  108   1HG   LYS  12          2HG       LYS  12   0.972  -1.542   0.197
  109   2HG   LYS  12          3HG       LYS  12   2.656  -1.939   0.539
  110   1HD   LYS  12          2HD       LYS  12   3.117  -2.347  -1.744
  111   2HD   LYS  12          3HD       LYS  12   1.403  -2.362  -2.161
  112   1HE   LYS  12          2HE       LYS  12   1.207  -0.039  -1.898
  113   2HE   LYS  12          3HE       LYS  12   2.728   0.073  -1.015
  114   1HZ   LYS  12          1HZ       LYS  12   2.785   0.856  -3.378
  115   2HZ   LYS  12          2HZ       LYS  12   2.578  -0.754  -3.855
  116   3HZ   LYS  12          3HZ       LYS  12   3.952  -0.302  -2.979
  117    H    LEU  13           HN       LEU  13   2.666  -5.811   2.107
  118    HA   LEU  13           HA       LEU  13   1.131  -8.149   1.268
  119   1HB   LEU  13          2HB       LEU  13   3.077  -9.550   2.355
  120   2HB   LEU  13          3HB       LEU  13   3.090  -9.113   0.656
  121    HG   LEU  13           HG       LEU  13   4.370  -7.079   2.284
  122   1HD1  LEU  13          1HD1      LEU  13   6.409  -8.549   2.696
  123   2HD1  LEU  13          2HD1      LEU  13   5.043  -8.746   3.796
  124   3HD1  LEU  13          3HD1      LEU  13   5.316  -9.922   2.510
  125   1HD2  LEU  13          1HD2      LEU  13   4.973  -8.716  -0.140
  126   2HD2  LEU  13          2HD2      LEU  13   4.835  -6.967   0.030
  127   3HD2  LEU  13          3HD2      LEU  13   6.264  -7.803   0.641
  128    H    GLY  14           HN       GLY  14   0.466  -9.557   2.930
  129   1HA   GLY  14          1HA       GLY  14   0.314 -10.219   5.221
  130   2HA   GLY  14          2HA       GLY  14   0.851  -8.615   5.689
  131    H    LYS  15           HN       LYS  15  -1.780  -9.681   3.521
  132    HA   LYS  15           HA       LYS  15  -3.901  -8.751   3.336
  133   1HB   LYS  15          2HB       LYS  15  -3.583 -10.583   5.533
  134   2HB   LYS  15          3HB       LYS  15  -4.870  -9.439   5.891
  135   1HG   LYS  15          2HG       LYS  15  -5.425 -10.131   3.311
  136   2HG   LYS  15          3HG       LYS  15  -4.778 -11.634   3.973
  137   1HD   LYS  15          2HD       LYS  15  -6.484 -10.640   5.945
  138   2HD   LYS  15          3HD       LYS  15  -7.338 -10.378   4.423
  139   1HE   LYS  15          2HE       LYS  15  -6.717 -12.808   3.887
  140   2HE   LYS  15          3HE       LYS  15  -6.342 -12.953   5.603
  141   1HZ   LYS  15          1HZ       LYS  15  -8.784 -13.317   4.489
  142   2HZ   LYS  15          2HZ       LYS  15  -8.896 -11.743   5.100
  143   3HZ   LYS  15          3HZ       LYS  15  -8.491 -13.021   6.130
  144    H    CYS  16           HN       CYS  16  -3.418  -6.501   3.285
  145    HA   CYS  16           HA       CYS  16  -3.396  -4.336   4.001
  146   1HB   CYS  16          2HB       CYS  16  -5.836  -5.584   4.946
  147   2HB   CYS  16          3HB       CYS  16  -5.344  -4.271   6.012
  148    H    THR  17           HN       THR  17  -1.387  -5.632   5.055
  149    HA   THR  17           HA       THR  17  -1.196  -5.711   7.863
  150    HB   THR  17           HB       THR  17   0.455  -6.279   5.597
  151    HG1  THR  17           1HG      THR  17   1.154  -7.818   6.963
  152   1HG2  THR  17          1HG2      THR  17   1.868  -4.744   7.788
  153   2HG2  THR  17          2HG2      THR  17   1.718  -4.263   6.097
  154   3HG2  THR  17          3HG2      THR  17   2.664  -5.687   6.528
  155    H    THR  18           HN       THR  18   0.168  -4.361   9.223
  156    HA   THR  18           HA       THR  18  -0.474  -1.654   9.128
  157    HB   THR  18           HB       THR  18   1.549  -3.242  10.650
  158    HG1  THR  18           1HG      THR  18   0.269  -1.806  12.290
  159   1HG2  THR  18          1HG2      THR  18   1.417  -0.246  10.914
  160   2HG2  THR  18          2HG2      THR  18   2.613  -1.047   9.893
  161   3HG2  THR  18          3HG2      THR  18   2.582  -1.359  11.630
  162    H    LEU  19           HN       LEU  19   2.599  -3.256   8.305
  163    HA   LEU  19           HA       LEU  19   4.011  -1.021   7.459
  164   1HB   LEU  19          2HB       LEU  19   4.439  -3.765   7.522
  165   2HB   LEU  19          3HB       LEU  19   4.530  -3.370   5.817
  166    HG   LEU  19           HG       LEU  19   6.717  -3.361   7.097
  167   1HD1  LEU  19          1HD1      LEU  19   7.610  -1.623   5.797
  168   2HD1  LEU  19          2HD1      LEU  19   6.222  -2.215   4.884
  169   3HD1  LEU  19          3HD1      LEU  19   6.096  -0.720   5.811
  170   1HD2  LEU  19          1HD2      LEU  19   5.926  -0.643   8.051
  171   2HD2  LEU  19          2HD2      LEU  19   5.549  -2.063   9.025
  172   3HD2  LEU  19          3HD2      LEU  19   7.226  -1.695   8.613
  173    H    GLU  20           HN       GLU  20   1.392  -2.674   5.979
  174    HA   GLU  20           HA       GLU  20   1.915  -1.643   3.347
  175   1HB   GLU  20          2HB       GLU  20   0.537  -3.295   2.750
  176   2HB   GLU  20          3HB       GLU  20   0.255  -3.661   4.444
  177   1HG   GLU  20          2HG       GLU  20  -1.880  -3.339   3.723
  178   2HG   GLU  20          3HG       GLU  20  -1.480  -1.707   4.255
  179    H    GLU  21           HN       GLU  21  -0.387  -0.938   5.969
  180    HA   GLU  21           HA       GLU  21  -1.627   1.230   4.595
  181   1HB   GLU  21          2HB       GLU  21  -2.731   1.720   6.659
  182   2HB   GLU  21          3HB       GLU  21  -2.646  -0.030   6.523
  183   1HG   GLU  21          2HG       GLU  21  -1.096  -0.223   8.207
  184   2HG   GLU  21          3HG       GLU  21  -0.531   1.435   8.023
  185    H    GLU  22           HN       GLU  22   1.242   0.791   6.417
  186    HA   GLU  22           HA       GLU  22   1.722   3.563   6.995
  187   1HB   GLU  22          2HB       GLU  22   3.037   0.979   7.501
  188   2HB   GLU  22          3HB       GLU  22   4.144   2.314   7.236
  189   1HG   GLU  22          2HG       GLU  22   2.097   3.175   9.009
  190   2HG   GLU  22          3HG       GLU  22   2.735   1.635   9.583
  191    H    LYS  23           HN       LYS  23   2.564   1.217   4.540
  192    HA   LYS  23           HA       LYS  23   4.605   2.612   3.229
  193   1HB   LYS  23          2HB       LYS  23   4.258   0.351   2.604
  194   2HB   LYS  23          3HB       LYS  23   2.551   0.618   2.282
  195   1HG   LYS  23          2HG       LYS  23   3.056   0.875   0.140
  196   2HG   LYS  23          3HG       LYS  23   3.971   2.329   0.568
  197   1HD   LYS  23          2HD       LYS  23   5.415   0.851  -0.629
  198   2HD   LYS  23          3HD       LYS  23   5.930   0.874   1.052
  199   1HE   LYS  23          2HE       LYS  23   4.327  -1.201   1.224
  200   2HE   LYS  23          3HE       LYS  23   4.612  -1.294  -0.514
  201   1HZ   LYS  23          1HZ       LYS  23   6.697  -2.003  -0.209
  202   2HZ   LYS  23          2HZ       LYS  23   6.195  -2.395   1.358
  203   3HZ   LYS  23          3HZ       LYS  23   6.999  -0.935   1.069
  204    H    CYS  24           HN       CYS  24   1.111   2.568   2.692
  205    HA   CYS  24           HA       CYS  24   1.110   4.512   0.634
  206   1HB   CYS  24          2HB       CYS  24  -1.247   3.918   2.395
  207   2HB   CYS  24          3HB       CYS  24  -1.222   4.322   0.682
  208    H    LYS  25           HN       LYS  25   0.852   4.732   4.139
  209    HA   LYS  25           HA       LYS  25  -0.027   7.472   4.071
  210   1HB   LYS  25          2HB       LYS  25   0.299   5.408   6.067
  211   2HB   LYS  25          3HB       LYS  25   0.970   6.933   6.630
  212   1HG   LYS  25          2HG       LYS  25  -1.284   6.863   7.341
  213   2HG   LYS  25          3HG       LYS  25  -1.206   8.013   6.004
  214   1HD   LYS  25          2HD       LYS  25  -1.787   5.214   5.270
  215   2HD   LYS  25          3HD       LYS  25  -3.044   6.048   6.186
  216   1HE   LYS  25          2HE       LYS  25  -1.761   7.188   3.711
  217   2HE   LYS  25          3HE       LYS  25  -3.229   6.212   3.678
  218   1HZ   LYS  25          1HZ       LYS  25  -3.283   8.411   5.553
  219   2HZ   LYS  25          2HZ       LYS  25  -4.461   7.896   4.453
  220   3HZ   LYS  25          3HZ       LYS  25  -3.188   8.879   3.930
  221    H    THR  26           HN       THR  26   2.881   6.040   5.545
  222    HA   THR  26           HA       THR  26   4.309   8.358   5.905
  223    HB   THR  26           HB       THR  26   6.306   7.035   6.077
  224    HG1  THR  26           1HG      THR  26   6.380   4.912   5.306
  225   1HG2  THR  26          1HG2      THR  26   5.668   5.814   7.885
  226   2HG2  THR  26          2HG2      THR  26   4.343   5.029   7.024
  227   3HG2  THR  26          3HG2      THR  26   4.152   6.676   7.626
  228    H    LEU  27           HN       LEU  27   4.155   6.371   2.940
  229    HA   LEU  27           HA       LEU  27   6.134   8.051   1.664
  230   1HB   LEU  27          2HB       LEU  27   4.570   5.642   0.841
  231   2HB   LEU  27          3HB       LEU  27   5.384   6.613  -0.370
  232    HG   LEU  27           HG       LEU  27   7.453   6.291   1.223
  233   1HD1  LEU  27          1HD1      LEU  27   6.180   5.136   2.969
  234   2HD1  LEU  27          2HD1      LEU  27   5.795   3.848   1.826
  235   3HD1  LEU  27          3HD1      LEU  27   7.468   4.125   2.312
  236   1HD2  LEU  27          1HD2      LEU  27   6.690   3.883  -0.367
  237   2HD2  LEU  27          2HD2      LEU  27   6.919   5.433  -1.177
  238   3HD2  LEU  27          3HD2      LEU  27   8.242   4.716  -0.258
  239    H    TYR  28           HN       TYR  28   2.627   7.640   1.606
  240    HA   TYR  28           HA       TYR  28   2.495   9.908  -0.282
  241   1HB   TYR  28          2HB       TYR  28   0.135   8.137   0.162
  242   2HB   TYR  28          3HB       TYR  28   0.588   9.050  -1.265
  243    HD1  TYR  28           1HD      TYR  28  -0.402   6.191  -1.087
  244    HD2  TYR  28           2HD      TYR  28   3.529   7.801  -1.263
  245    HE1  TYR  28           1HE      TYR  28   0.394   4.113  -2.110
  246    HE2  TYR  28           2HE      TYR  28   4.333   5.727  -2.285
  247    HH   TYR  28           HH       TYR  28   3.134   3.799  -3.736
  248    HA   PRO  29           HA       PRO  29   0.531  11.817   3.309
  249   1HB   PRO  29          2HB       PRO  29   0.799  14.362   2.531
  250   2HB   PRO  29          3HB       PRO  29   2.196  13.428   3.082
  251   1HG   PRO  29          2HG       PRO  29   1.351  14.111   0.299
  252   2HG   PRO  29          3HG       PRO  29   2.978  14.069   0.998
  253   1HD   PRO  29          2HD       PRO  29   1.852  12.052  -0.537
  254   2HD   PRO  29          3HD       PRO  29   3.213  11.840   0.580
  255    H    ARG  30           HN       ARG  30  -1.160  10.568   1.568
  256    HA   ARG  30           HA       ARG  30  -2.970  12.536   0.424
  257   1HB   ARG  30          2HB       ARG  30  -2.830   9.531   0.323
  258   2HB   ARG  30          3HB       ARG  30  -4.229  10.412  -0.273
  259   1HG   ARG  30          2HG       ARG  30  -1.401  10.609  -1.279
  260   2HG   ARG  30          3HG       ARG  30  -2.790   9.915  -2.118
  261   1HD   ARG  30          2HD       ARG  30  -2.293  12.807  -1.437
  262   2HD   ARG  30          3HD       ARG  30  -2.407  12.078  -3.038
  263    HE   ARG  30           HE       ARG  30  -4.811  11.659  -1.623
  264   1HH1  ARG  30          2HH1      ARG  30  -2.995  14.174  -3.210
  265   2HH1  ARG  30          1HH1      ARG  30  -4.394  15.116  -3.600
  266   1HH2  ARG  30          2HH2      ARG  30  -6.660  12.893  -2.133
  267   2HH2  ARG  30          1HH2      ARG  30  -6.478  14.387  -2.989
  268    H    GLY  31           HN       GLY  31  -5.357  11.640   0.577
  269   1HA   GLY  31          1HA       GLY  31  -6.019  11.282   3.432
  270   2HA   GLY  31          2HA       GLY  31  -6.881  12.435   2.417
  271    H    GLN  32           HN       GLN  32  -6.616  10.554   0.113
  272    HA   GLN  32           HA       GLN  32  -8.860   8.799   0.820
  273   1HB   GLN  32          2HB       GLN  32  -8.320   8.899  -2.016
  274   2HB   GLN  32          3HB       GLN  32  -9.783   9.346  -1.148
  275   1HG   GLN  32          2HG       GLN  32  -8.478  11.527  -0.606
  276   2HG   GLN  32          3HG       GLN  32  -7.482  11.050  -1.981
  277   1HE2  GLN  32          1HE2      GLN  32 -10.962  10.787  -1.367
  278   2HE2  GLN  32          2HE2      GLN  32 -11.454  11.672  -2.766
  279    H    CYS  33           HN       CYS  33  -5.796   8.543   1.009
  280    HA   CYS  33           HA       CYS  33  -5.482   6.020  -0.470
  281   1HB   CYS  33          2HB       CYS  33  -3.770   7.890  -0.721
  282   2HB   CYS  33          3HB       CYS  33  -3.305   7.561   0.943
  283    H    THR  34           HN       THR  34  -4.536   4.199   0.632
  284    HA   THR  34           HA       THR  34  -3.960   4.036   3.339
  285    HB   THR  34           HB       THR  34  -6.354   4.732   3.558
  286    HG1  THR  34           1HG      THR  34  -6.650   3.369   5.278
  287   1HG2  THR  34          1HG2      THR  34  -7.821   3.743   2.187
  288   2HG2  THR  34          2HG2      THR  34  -7.732   2.351   3.266
  289   3HG2  THR  34          3HG2      THR  34  -6.715   2.418   1.827
  290    H    CYS  35           HN       CYS  35  -5.382   1.456   3.797
  291    HA   CYS  35           HA       CYS  35  -3.671  -0.167   2.074
  292   1HB   CYS  35          2HB       CYS  35  -3.569  -1.723   3.764
  293   2HB   CYS  35          3HB       CYS  35  -3.802  -0.260   4.705
  294    H    SER  36           HN       SER  36  -4.437  -1.502   0.570
  295    HA   SER  36           HA       SER  36  -7.285  -2.197   0.600
  296   1HB   SER  36          2HB       SER  36  -5.765  -1.029  -1.738
  297   2HB   SER  36          3HB       SER  36  -7.336  -1.814  -1.888
  298    HG   SER  36           HG       SER  36  -7.209   0.114   0.069
  299    H    ASP  37           HN       ASP  37  -7.569  -4.281   0.432
  300    HA   ASP  37           HA       ASP  37  -5.676  -5.902  -1.127
  301   1HB   ASP  37          2HB       ASP  37  -5.104  -6.209   1.225
  302   2HB   ASP  37          3HB       ASP  37  -6.784  -6.567   1.613
  303    H    SER  38           HN       SER  38  -6.586  -7.942  -1.883
  304    HA   SER  38           HA       SER  38  -9.486  -7.711  -2.302
  305   1HB   SER  38          2HB       SER  38  -8.576  -9.625  -4.085
  306   2HB   SER  38          3HB       SER  38  -8.876  -7.927  -4.458
  307    HG   SER  38           HG       SER  38  -6.787  -8.445  -5.073
  308    H    LYS  39           HN       LYS  39  -7.285 -10.490  -2.487
  309    HA   LYS  39           HA       LYS  39  -8.417 -11.792  -0.206
  310   1HB   LYS  39          2HB       LYS  39  -9.644 -12.197  -2.796
  311   2HB   LYS  39          3HB       LYS  39  -8.993 -13.704  -2.168
  312   1HG   LYS  39          2HG       LYS  39 -10.355 -13.628  -0.263
  313   2HG   LYS  39          3HG       LYS  39 -10.748 -11.925  -0.511
  314   1HD   LYS  39          2HD       LYS  39 -11.681 -12.913  -2.812
  315   2HD   LYS  39          3HD       LYS  39 -11.870 -14.345  -1.800
  316   1HE   LYS  39          2HE       LYS  39 -13.336 -13.258  -0.336
  317   2HE   LYS  39          3HE       LYS  39 -12.857 -11.659  -0.904
  318   1HZ   LYS  39          1HZ       LYS  39 -15.052 -12.337  -1.721
  319   2HZ   LYS  39          2HZ       LYS  39 -14.351 -13.653  -2.520
  320   3HZ   LYS  39          3HZ       LYS  39 -13.959 -12.075  -2.987
  321    H    MET  40           HN       MET  40  -5.815 -11.110  -1.004
  322    HA   MET  40           HA       MET  40  -4.609 -13.775  -1.101
  323   1HB   MET  40          2HB       MET  40  -4.176 -11.551  -3.037
  324   2HB   MET  40          3HB       MET  40  -2.779 -12.508  -2.567
  325   1HG   MET  40          2HG       MET  40  -4.949 -14.255  -3.197
  326   2HG   MET  40          3HG       MET  40  -4.722 -13.100  -4.508
  327   1HE   MET  40          1HE       MET  40  -3.496 -14.459  -6.539
  328   2HE   MET  40          2HE       MET  40  -2.890 -12.897  -5.986
  329   3HE   MET  40          3HE       MET  40  -1.761 -14.202  -6.354
  330    H    ASN  41           HN       ASN  41  -2.253 -13.682  -0.513
  331    HA   ASN  41           HA       ASN  41  -1.944 -12.276   1.931
  332   1HB   ASN  41          2HB       ASN  41  -0.901 -14.489   1.420
  333   2HB   ASN  41          3HB       ASN  41   0.196 -13.673   0.309
  334   1HD2  ASN  41          1HD2      ASN  41   2.028 -14.215   1.433
  335   2HD2  ASN  41          2HD2      ASN  41   2.421 -13.538   2.973
  336    H    THR  42           HN       THR  42  -1.541 -11.288  -1.259
  337    HA   THR  42           HA       THR  42   0.225  -9.102  -0.382
  338    HB   THR  42           HB       THR  42   0.436  -9.071  -3.121
  339    HG1  THR  42           1HG      THR  42   1.113 -11.384  -3.443
  340   1HG2  THR  42          1HG2      THR  42   2.590 -10.608  -2.177
  341   2HG2  THR  42          2HG2      THR  42   2.090  -9.587  -0.829
  342   3HG2  THR  42          3HG2      THR  42   2.524  -8.857  -2.375
  343    H    HIS  43           HN       HIS  43  -0.282  -7.076  -0.888
  344    HA   HIS  43           HA       HIS  43  -2.537  -6.398  -2.600
  345   1HB   HIS  43          2HB       HIS  43  -3.353  -4.915  -0.597
  346   2HB   HIS  43          3HB       HIS  43  -3.813  -6.615  -0.642
  347    HD1  HIS  43           1HD      HIS  43  -2.083  -8.202   0.745
  348    HD2  HIS  43           2HD      HIS  43  -2.157  -4.173   1.725
  349    HE1  HIS  43           1HE      HIS  43  -0.994  -8.026   2.981
  350    HE2  HIS  43           2HE      HIS  43  -0.924  -5.572   3.501
  351    H    SER  44           HN       SER  44  -2.804  -3.749  -2.018
  352    HA   SER  44           HA       SER  44  -0.227  -2.573  -1.540
  353   1HB   SER  44          2HB       SER  44  -0.022  -1.408  -3.698
  354   2HB   SER  44          3HB       SER  44   0.093  -3.162  -3.871
  355    HG   SER  44           HG       SER  44  -2.133  -3.139  -4.498
  356    H    CYS  45           HN       CYS  45  -0.982  -0.091  -3.013
  357    HA   CYS  45           HA       CYS  45  -2.843   0.913  -0.988
  358   1HB   CYS  45          2HB       CYS  45  -1.081   2.477  -2.883
  359   2HB   CYS  45          3HB       CYS  45  -1.967   3.114  -1.497
  360    H    ASP  46           HN       ASP  46  -4.271   2.779  -1.752
  361    HA   ASP  46           HA       ASP  46  -5.182   2.557  -4.501
  362   1HB   ASP  46          2HB       ASP  46  -6.370   0.798  -3.011
  363   2HB   ASP  46          3HB       ASP  46  -7.235   2.177  -2.340
  364    H    CYS  47           HN       CYS  47  -3.958   4.699  -3.226
  365    HA   CYS  47           HA       CYS  47  -5.691   6.613  -2.125
  366   1HB   CYS  47          2HB       CYS  47  -3.603   7.679  -3.899
  367   2HB   CYS  47          3HB       CYS  47  -3.892   7.992  -2.191
  368    H    LYS  48           HN       LYS  48  -5.165   5.498  -5.318
  369    HA   LYS  48           HA       LYS  48  -7.205   7.359  -6.319
  370   1HB   LYS  48          2HB       LYS  48  -4.699   7.821  -6.984
  371   2HB   LYS  48          3HB       LYS  48  -4.972   6.500  -8.113
  372   1HG   LYS  48          2HG       LYS  48  -7.049   8.575  -8.105
  373   2HG   LYS  48          3HG       LYS  48  -5.456   9.102  -8.653
  374   1HD   LYS  48          2HD       LYS  48  -5.556   7.866 -10.538
  375   2HD   LYS  48          3HD       LYS  48  -6.379   6.526  -9.739
  376   1HE   LYS  48          2HE       LYS  48  -7.901   7.435 -11.324
  377   2HE   LYS  48          3HE       LYS  48  -8.454   7.935  -9.726
  378   1HZ   LYS  48          1HZ       LYS  48  -8.335   9.649 -11.642
  379   2HZ   LYS  48          2HZ       LYS  48  -6.686   9.708 -11.269
  380   3HZ   LYS  48          3HZ       LYS  48  -7.834  10.101 -10.090
  381    H    SER  49           HN       SER  49  -8.724   6.473  -7.569
  382    HA   SER  49           HA       SER  49  -9.242   3.756  -7.525
  383   1HB   SER  49          2HB       SER  49 -10.662   5.903  -8.284
  384   2HB   SER  49          3HB       SER  49 -10.249   5.268  -9.876
  385    HG   SER  49           HG       SER  49 -11.248   3.529  -7.913
  386    H    CYS  50           HN       CYS  50  -7.336   2.642  -8.084
  387    HA   CYS  50           HA       CYS  50  -6.368   2.861 -10.827
  388   1HB   CYS  50          2HB       CYS  50  -5.347   1.203  -8.508
  389   2HB   CYS  50          3HB       CYS  50  -4.568   1.344 -10.080
  Start of MODEL    8
    1   1H    ASN   1          1H        ASN   1  -1.440  19.769  -7.662
    2   2H    ASN   1          2H        ASN   1  -2.284  21.111  -8.254
    3   3H    ASN   1          3H        ASN   1  -0.756  20.734  -8.872
    4    HA   ASN   1           HA       ASN   1  -3.284  19.249  -9.244
    5   1HB   ASN   1          2HB       ASN   1  -1.506  20.977 -10.876
    6   2HB   ASN   1          3HB       ASN   1  -2.196  19.578 -11.692
    7   1HD2  ASN   1          1HD2      ASN   1  -2.800  22.136 -12.472
    8   2HD2  ASN   1          2HD2      ASN   1  -4.455  22.476 -12.110
    9    H    LEU   2           HN       LEU   2  -0.666  18.377  -7.935
   10    HA   LEU   2           HA       LEU   2   0.431  16.461  -9.796
   11   1HB   LEU   2          2HB       LEU   2   1.204  17.627  -7.306
   12   2HB   LEU   2          3HB       LEU   2   1.232  15.882  -7.136
   13    HG   LEU   2           HG       LEU   2   2.600  15.958  -9.363
   14   1HD1  LEU   2          1HD1      LEU   2   2.728  18.080 -10.118
   15   2HD1  LEU   2          2HD1      LEU   2   2.498  18.781  -8.516
   16   3HD1  LEU   2          3HD1      LEU   2   4.081  18.165  -8.990
   17   1HD2  LEU   2          1HD2      LEU   2   4.105  16.987  -7.006
   18   2HD2  LEU   2          2HD2      LEU   2   3.274  15.437  -6.885
   19   3HD2  LEU   2          3HD2      LEU   2   4.509  15.682  -8.119
   20    H    MET   3           HN       MET   3   0.414  14.175  -9.489
   21    HA   MET   3           HA       MET   3  -2.112  13.218  -8.380
   22   1HB   MET   3          2HB       MET   3  -0.106  12.088 -10.306
   23   2HB   MET   3          3HB       MET   3  -1.275  11.034  -9.522
   24   1HG   MET   3          2HG       MET   3  -2.963  11.747 -10.798
   25   2HG   MET   3          3HG       MET   3  -2.442  13.429 -10.725
   26   1HE   MET   3          1HE       MET   3  -2.039  14.319 -13.677
   27   2HE   MET   3          2HE       MET   3  -1.327  14.610 -12.089
   28   3HE   MET   3          3HE       MET   3  -0.297  14.159 -13.448
   29    H    LYS   4           HN       LYS   4  -1.996  10.952  -7.373
   30    HA   LYS   4           HA       LYS   4   0.245  10.901  -5.460
   31   1HB   LYS   4          2HB       LYS   4  -1.228   9.998  -3.808
   32   2HB   LYS   4          3HB       LYS   4  -2.023  11.401  -4.509
   33   1HG   LYS   4          2HG       LYS   4  -2.602   8.671  -5.571
   34   2HG   LYS   4          3HG       LYS   4  -3.374   9.237  -4.088
   35   1HD   LYS   4          2HD       LYS   4  -3.428  11.162  -6.298
   36   2HD   LYS   4          3HD       LYS   4  -4.320   9.670  -6.608
   37   1HE   LYS   4          2HE       LYS   4  -6.006  10.564  -5.457
   38   2HE   LYS   4          3HE       LYS   4  -5.016  10.359  -4.012
   39   1HZ   LYS   4          1HZ       LYS   4  -4.748  12.544  -3.833
   40   2HZ   LYS   4          2HZ       LYS   4  -5.956  12.723  -5.004
   41   3HZ   LYS   4          3HZ       LYS   4  -4.328  12.722  -5.463
   42    H    ARG   5           HN       ARG   5  -1.326   9.269  -7.957
   43    HA   ARG   5           HA       ARG   5  -1.369   7.094  -8.700
   44   1HB   ARG   5          2HB       ARG   5   1.022   6.273  -9.065
   45   2HB   ARG   5          3HB       ARG   5   0.574   7.812  -9.783
   46   1HG   ARG   5          2HG       ARG   5   1.730   8.012  -7.098
   47   2HG   ARG   5          3HG       ARG   5   2.818   7.369  -8.330
   48   1HD   ARG   5          2HD       ARG   5   1.367   9.621  -9.366
   49   2HD   ARG   5          3HD       ARG   5   2.152  10.056  -7.848
   50    HE   ARG   5           HE       ARG   5   3.499   9.128 -10.286
   51   1HH1  ARG   5          2HH1      ARG   5   3.630  10.503  -7.087
   52   2HH1  ARG   5          1HH1      ARG   5   5.293  10.974  -7.218
   53   1HH2  ARG   5          2HH2      ARG   5   5.687   9.743 -10.466
   54   2HH2  ARG   5          1HH2      ARG   5   6.461  10.540  -9.137
   55    H    CYS   6           HN       CYS   6  -2.461   5.863  -7.206
   56    HA   CYS   6           HA       CYS   6  -1.566   4.909  -4.767
   57   1HB   CYS   6          2HB       CYS   6  -3.327   3.352  -4.856
   58   2HB   CYS   6          3HB       CYS   6  -3.882   4.681  -5.868
   59    H    THR   7           HN       THR   7  -0.422   3.103  -4.077
   60    HA   THR   7           HA       THR   7   1.141   1.459  -4.137
   61    HB   THR   7           HB       THR   7   0.877  -0.320  -5.575
   62    HG1  THR   7           1HG      THR   7  -0.003   0.061  -7.777
   63   1HG2  THR   7          1HG2      THR   7  -1.269   0.025  -4.563
   64   2HG2  THR   7          2HG2      THR   7  -1.526  -0.474  -6.235
   65   3HG2  THR   7          3HG2      THR   7  -1.708   1.221  -5.782
   66    H    ARG   8           HN       ARG   8   3.266   1.494  -4.442
   67    HA   ARG   8           HA       ARG   8   4.330   3.202  -6.578
   68   1HB   ARG   8          2HB       ARG   8   6.504   2.671  -5.089
   69   2HB   ARG   8          3HB       ARG   8   5.410   4.000  -4.735
   70   1HG   ARG   8          2HG       ARG   8   5.004   1.300  -3.518
   71   2HG   ARG   8          3HG       ARG   8   6.130   2.463  -2.817
   72   1HD   ARG   8          2HD       ARG   8   4.476   3.802  -2.066
   73   2HD   ARG   8          3HD       ARG   8   3.461   3.514  -3.479
   74    HE   ARG   8           HE       ARG   8   3.726   1.385  -1.500
   75   1HH1  ARG   8          2HH1      ARG   8   1.785   3.852  -3.011
   76   2HH1  ARG   8          1HH1      ARG   8   0.300   3.275  -2.334
   77   1HH2  ARG   8          2HH2      ARG   8   1.780   0.626  -0.603
   78   2HH2  ARG   8          1HH2      ARG   8   0.301   1.440  -0.973
   79    H    GLY   9           HN       GLY   9   3.286   0.636  -7.079
   80   1HA   GLY   9          1HA       GLY   9   4.525  -0.598  -8.945
   81   2HA   GLY   9          2HA       GLY   9   5.664  -0.991  -7.661
   82    H    PHE  10           HN       PHE  10   2.623  -0.738  -6.376
   83    HA   PHE  10           HA       PHE  10   1.199  -2.243  -5.436
   84   1HB   PHE  10          2HB       PHE  10   0.846  -2.446  -8.056
   85   2HB   PHE  10          3HB       PHE  10   1.509  -4.055  -7.795
   86    HD1  PHE  10           1HD      PHE  10   0.395  -5.272  -5.654
   87    HD2  PHE  10           2HD      PHE  10  -1.431  -2.273  -8.060
   88    HE1  PHE  10           1HE      PHE  10  -1.825  -6.079  -4.966
   89    HE2  PHE  10           2HE      PHE  10  -3.655  -3.073  -7.375
   90    HZ   PHE  10           HZ       PHE  10  -3.854  -4.979  -5.827
   91    H    ARG  11           HN       ARG  11   3.123  -2.674  -3.963
   92    HA   ARG  11           HA       ARG  11   3.581  -5.538  -3.988
   93   1HB   ARG  11          2HB       ARG  11   6.048  -5.088  -3.418
   94   2HB   ARG  11          3HB       ARG  11   5.548  -4.954  -5.095
   95   1HG   ARG  11          2HG       ARG  11   6.459  -2.937  -5.134
   96   2HG   ARG  11          3HG       ARG  11   5.200  -2.400  -4.018
   97   1HD   ARG  11          2HD       ARG  11   6.604  -2.346  -2.270
   98   2HD   ARG  11          3HD       ARG  11   7.395  -3.852  -2.743
   99    HE   ARG  11           HE       ARG  11   8.103  -1.664  -4.443
  100   1HH1  ARG  11          2HH1      ARG  11   8.778  -3.191  -1.385
  101   2HH1  ARG  11          1HH1      ARG  11  10.395  -2.578  -1.289
  102   1HH2  ARG  11          2HH2      ARG  11  10.231  -0.853  -4.327
  103   2HH2  ARG  11          1HH2      ARG  11  11.221  -1.250  -2.962
  104    H    LYS  12           HN       LYS  12   1.941  -4.909  -2.236
  105    HA   LYS  12           HA       LYS  12   3.383  -4.454   0.293
  106   1HB   LYS  12          2HB       LYS  12   0.480  -3.920  -0.400
  107   2HB   LYS  12          3HB       LYS  12   1.134  -3.817   1.224
  108   1HG   LYS  12          2HG       LYS  12   0.944  -1.606   0.263
  109   2HG   LYS  12          3HG       LYS  12   2.642  -2.018   0.493
  110   1HD   LYS  12          2HD       LYS  12   2.266  -2.864  -2.047
  111   2HD   LYS  12          3HD       LYS  12   1.120  -1.524  -1.977
  112   1HE   LYS  12          2HE       LYS  12   2.752   0.040  -1.730
  113   2HE   LYS  12          3HE       LYS  12   3.824  -1.058  -0.865
  114   1HZ   LYS  12          1HZ       LYS  12   3.357  -0.910  -3.784
  115   2HZ   LYS  12          2HZ       LYS  12   4.155  -2.205  -3.048
  116   3HZ   LYS  12          3HZ       LYS  12   4.805  -0.647  -2.949
  117    H    LEU  13           HN       LEU  13   2.597  -5.864   2.129
  118    HA   LEU  13           HA       LEU  13   1.089  -8.214   1.278
  119   1HB   LEU  13          2HB       LEU  13   3.066  -9.575   2.416
  120   2HB   LEU  13          3HB       LEU  13   3.019  -9.220   0.699
  121    HG   LEU  13           HG       LEU  13   4.311  -7.026   1.901
  122   1HD1  LEU  13          1HD1      LEU  13   4.923  -8.025   3.872
  123   2HD1  LEU  13          2HD1      LEU  13   5.012  -9.636   3.158
  124   3HD1  LEU  13          3HD1      LEU  13   6.286  -8.459   2.840
  125   1HD2  LEU  13          1HD2      LEU  13   4.666  -8.062  -0.344
  126   2HD2  LEU  13          2HD2      LEU  13   6.151  -7.694   0.535
  127   3HD2  LEU  13          3HD2      LEU  13   5.563  -9.354   0.457
  128    H    GLY  14           HN       GLY  14   0.517  -9.694   2.957
  129   1HA   GLY  14          1HA       GLY  14   0.307 -10.340   5.231
  130   2HA   GLY  14          2HA       GLY  14   0.862  -8.746   5.711
  131    H    LYS  15           HN       LYS  15  -1.839 -10.059   3.757
  132    HA   LYS  15           HA       LYS  15  -3.924  -8.995   3.486
  133   1HB   LYS  15          2HB       LYS  15  -4.030 -10.235   6.237
  134   2HB   LYS  15          3HB       LYS  15  -5.364 -10.024   5.113
  135   1HG   LYS  15          2HG       LYS  15  -4.665 -11.721   3.733
  136   2HG   LYS  15          3HG       LYS  15  -2.991 -11.609   4.277
  137   1HD   LYS  15          2HD       LYS  15  -4.245 -12.285   6.588
  138   2HD   LYS  15          3HD       LYS  15  -5.252 -13.117   5.402
  139   1HE   LYS  15          2HE       LYS  15  -3.716 -14.702   5.157
  140   2HE   LYS  15          3HE       LYS  15  -2.500 -13.498   4.735
  141   1HZ   LYS  15          1HZ       LYS  15  -1.536 -14.271   6.599
  142   2HZ   LYS  15          2HZ       LYS  15  -2.985 -14.833   7.268
  143   3HZ   LYS  15          3HZ       LYS  15  -2.587 -13.191   7.369
  144    H    CYS  16           HN       CYS  16  -3.475  -6.781   3.508
  145    HA   CYS  16           HA       CYS  16  -3.536  -4.634   4.228
  146   1HB   CYS  16          2HB       CYS  16  -5.968  -5.628   4.662
  147   2HB   CYS  16          3HB       CYS  16  -5.539  -5.277   6.334
  148    H    THR  17           HN       THR  17  -1.379  -5.511   5.152
  149    HA   THR  17           HA       THR  17  -1.177  -5.558   8.022
  150    HB   THR  17           HB       THR  17   0.617  -5.991   5.717
  151    HG1  THR  17           1HG      THR  17   0.435  -7.100   8.344
  152   1HG2  THR  17          1HG2      THR  17   2.658  -5.769   7.199
  153   2HG2  THR  17          2HG2      THR  17   1.653  -4.834   8.307
  154   3HG2  THR  17          3HG2      THR  17   1.936  -4.250   6.668
  155    H    THR  18           HN       THR  18  -0.097  -4.002   9.309
  156    HA   THR  18           HA       THR  18  -0.720  -1.346   8.842
  157    HB   THR  18           HB       THR  18   1.197  -2.702  10.690
  158    HG1  THR  18           1HG      THR  18  -1.292  -1.741  10.781
  159   1HG2  THR  18          1HG2      THR  18   1.581  -0.025   9.692
  160   2HG2  THR  18          2HG2      THR  18   2.567  -0.947  10.828
  161   3HG2  THR  18          3HG2      THR  18   1.206   0.008  11.417
  162    H    LEU  19           HN       LEU  19   2.432  -2.955   8.422
  163    HA   LEU  19           HA       LEU  19   3.931  -0.829   7.533
  164   1HB   LEU  19          2HB       LEU  19   4.169  -3.652   7.562
  165   2HB   LEU  19          3HB       LEU  19   4.591  -3.116   5.947
  166    HG   LEU  19           HG       LEU  19   6.548  -3.311   7.439
  167   1HD1  LEU  19          1HD1      LEU  19   5.746  -0.827   6.068
  168   2HD1  LEU  19          2HD1      LEU  19   7.134  -0.706   7.150
  169   3HD1  LEU  19          3HD1      LEU  19   7.152  -1.862   5.818
  170   1HD2  LEU  19          1HD2      LEU  19   6.809  -2.119   9.386
  171   2HD2  LEU  19          2HD2      LEU  19   5.645  -0.882   8.911
  172   3HD2  LEU  19          3HD2      LEU  19   5.080  -2.468   9.434
  173    H    GLU  20           HN       GLU  20   1.443  -2.572   5.862
  174    HA   GLU  20           HA       GLU  20   2.144  -1.578   3.268
  175   1HB   GLU  20          2HB       GLU  20  -0.552  -2.677   4.013
  176   2HB   GLU  20          3HB       GLU  20   0.255  -2.723   2.451
  177   1HG   GLU  20          2HG       GLU  20   0.689  -4.411   4.862
  178   2HG   GLU  20          3HG       GLU  20   0.484  -4.889   3.178
  179    H    GLU  21           HN       GLU  21  -0.427  -0.844   5.622
  180    HA   GLU  21           HA       GLU  21  -1.570   1.263   4.114
  181   1HB   GLU  21          2HB       GLU  21  -2.843   1.779   6.039
  182   2HB   GLU  21          3HB       GLU  21  -2.617   0.036   6.088
  183   1HG   GLU  21          2HG       GLU  21  -1.234   0.125   7.900
  184   2HG   GLU  21          3HG       GLU  21  -0.684   1.760   7.541
  185    H    GLU  22           HN       GLU  22   1.172   1.006   6.202
  186    HA   GLU  22           HA       GLU  22   1.539   3.829   6.586
  187   1HB   GLU  22          2HB       GLU  22   2.854   1.336   7.433
  188   2HB   GLU  22          3HB       GLU  22   3.956   2.674   7.153
  189   1HG   GLU  22          2HG       GLU  22   1.710   3.593   8.659
  190   2HG   GLU  22          3HG       GLU  22   2.391   2.157   9.423
  191    H    LYS  23           HN       LYS  23   2.710   1.297   4.461
  192    HA   LYS  23           HA       LYS  23   4.845   2.518   3.210
  193   1HB   LYS  23          2HB       LYS  23   4.356   0.259   2.658
  194   2HB   LYS  23          3HB       LYS  23   2.709   0.650   2.182
  195   1HG   LYS  23          2HG       LYS  23   3.439   0.693   0.083
  196   2HG   LYS  23          3HG       LYS  23   4.324   2.167   0.510
  197   1HD   LYS  23          2HD       LYS  23   5.782   0.471  -0.500
  198   2HD   LYS  23          3HD       LYS  23   6.262   0.860   1.147
  199   1HE   LYS  23          2HE       LYS  23   4.995  -1.155   1.901
  200   2HE   LYS  23          3HE       LYS  23   4.745  -1.566   0.205
  201   1HZ   LYS  23          1HZ       LYS  23   7.373  -1.312   1.566
  202   2HZ   LYS  23          2HZ       LYS  23   7.156  -1.665  -0.073
  203   3HZ   LYS  23          3HZ       LYS  23   6.628  -2.760   1.103
  204    H    CYS  24           HN       CYS  24   1.452   2.556   2.178
  205    HA   CYS  24           HA       CYS  24   1.803   4.556   0.202
  206   1HB   CYS  24          2HB       CYS  24  -0.823   4.720   0.697
  207   2HB   CYS  24          3HB       CYS  24  -0.114   3.409  -0.234
  208    H    LYS  25           HN       LYS  25   1.021   4.621   3.603
  209    HA   LYS  25           HA       LYS  25   0.018   7.232   3.788
  210   1HB   LYS  25          2HB       LYS  25   0.129   5.297   5.547
  211   2HB   LYS  25          3HB       LYS  25   1.661   6.039   5.991
  212   1HG   LYS  25          2HG       LYS  25   0.130   6.998   7.449
  213   2HG   LYS  25          3HG       LYS  25   0.327   8.217   6.188
  214   1HD   LYS  25          2HD       LYS  25  -1.815   6.217   5.781
  215   2HD   LYS  25          3HD       LYS  25  -2.066   7.397   7.069
  216   1HE   LYS  25          2HE       LYS  25  -1.152   8.957   5.012
  217   2HE   LYS  25          3HE       LYS  25  -2.111   7.742   4.167
  218   1HZ   LYS  25          1HZ       LYS  25  -3.058   9.446   6.409
  219   2HZ   LYS  25          2HZ       LYS  25  -3.979   8.271   5.614
  220   3HZ   LYS  25          3HZ       LYS  25  -3.456   9.645   4.777
  221    H    THR  26           HN       THR  26   3.199   6.262   5.029
  222    HA   THR  26           HA       THR  26   4.301   8.782   5.196
  223    HB   THR  26           HB       THR  26   6.502   7.705   5.214
  224    HG1  THR  26           1HG      THR  26   5.309   5.923   3.653
  225   1HG2  THR  26          1HG2      THR  26   6.196   6.689   7.231
  226   2HG2  THR  26          2HG2      THR  26   4.833   5.727   6.663
  227   3HG2  THR  26          3HG2      THR  26   4.604   7.427   7.070
  228    H    LEU  27           HN       LEU  27   4.055   6.690   2.371
  229    HA   LEU  27           HA       LEU  27   5.897   8.228   0.805
  230   1HB   LEU  27          2HB       LEU  27   4.352   5.810   0.501
  231   2HB   LEU  27          3HB       LEU  27   4.230   6.814  -0.932
  232    HG   LEU  27           HG       LEU  27   6.863   6.939  -0.555
  233   1HD1  LEU  27          1HD1      LEU  27   6.815   5.504   1.422
  234   2HD1  LEU  27          2HD1      LEU  27   6.055   4.222   0.475
  235   3HD1  LEU  27          3HD1      LEU  27   7.703   4.734   0.105
  236   1HD2  LEU  27          1HD2      LEU  27   7.102   5.447  -2.347
  237   2HD2  LEU  27          2HD2      LEU  27   5.659   4.543  -1.891
  238   3HD2  LEU  27          3HD2      LEU  27   5.508   6.169  -2.554
  239    H    TYR  28           HN       TYR  28   2.421   8.184   1.270
  240    HA   TYR  28           HA       TYR  28   2.238  10.683  -0.242
  241   1HB   TYR  28          2HB       TYR  28   0.140   8.585  -0.664
  242   2HB   TYR  28          3HB       TYR  28   0.577   9.944  -1.694
  243    HD1  TYR  28           1HD      TYR  28   1.187   6.462  -0.906
  244    HD2  TYR  28           2HD      TYR  28   2.665   9.812  -3.064
  245    HE1  TYR  28           1HE      TYR  28   2.541   4.962  -2.294
  246    HE2  TYR  28           2HE      TYR  28   4.020   8.323  -4.466
  247    HH   TYR  28           HH       TYR  28   3.906   5.858  -5.178
  248    HA   PRO  29           HA       PRO  29  -0.177  11.279   3.556
  249   1HB   PRO  29          2HB       PRO  29   0.129  14.118   3.008
  250   2HB   PRO  29          3HB       PRO  29   0.779  13.177   4.351
  251   1HG   PRO  29          2HG       PRO  29   2.338  14.246   2.398
  252   2HG   PRO  29          3HG       PRO  29   2.758  12.760   3.268
  253   1HD   PRO  29          2HD       PRO  29   1.536  13.084   0.551
  254   2HD   PRO  29          3HD       PRO  29   2.805  11.962   1.088
  255    H    ARG  30           HN       ARG  30  -1.936  10.444   2.077
  256    HA   ARG  30           HA       ARG  30  -3.629  12.645   1.085
  257   1HB   ARG  30          2HB       ARG  30  -3.843   9.736   0.315
  258   2HB   ARG  30          3HB       ARG  30  -4.616  11.113  -0.461
  259   1HG   ARG  30          2HG       ARG  30  -1.640  10.671  -0.399
  260   2HG   ARG  30          3HG       ARG  30  -2.698  10.165  -1.718
  261   1HD   ARG  30          2HD       ARG  30  -2.506  12.187  -2.610
  262   2HD   ARG  30          3HD       ARG  30  -3.299  12.864  -1.190
  263    HE   ARG  30           HE       ARG  30  -0.507  12.410  -0.774
  264   1HH1  ARG  30          2HH1      ARG  30  -2.835  14.617  -2.135
  265   2HH1  ARG  30          1HH1      ARG  30  -1.798  15.997  -1.996
  266   1HH2  ARG  30          2HH2      ARG  30   0.862  14.222  -0.588
  267   2HH2  ARG  30          1HH2      ARG  30   0.302  15.773  -1.116
  268    H    GLY  31           HN       GLY  31  -5.984  11.437   0.813
  269   1HA   GLY  31          1HA       GLY  31  -6.755  10.748   3.579
  270   2HA   GLY  31          2HA       GLY  31  -7.794  11.602   2.440
  271    H    GLN  32           HN       GLN  32  -6.615   9.729   0.333
  272    HA   GLN  32           HA       GLN  32  -8.306   7.402   0.944
  273   1HB   GLN  32          2HB       GLN  32  -7.751   8.137  -1.891
  274   2HB   GLN  32          3HB       GLN  32  -9.170   7.374  -1.188
  275   1HG   GLN  32          2HG       GLN  32 -10.198   9.323  -1.342
  276   2HG   GLN  32          3HG       GLN  32  -9.119   9.926  -0.085
  277   1HE2  GLN  32          1HE2      GLN  32  -9.330  12.001  -1.046
  278   2HE2  GLN  32          2HE2      GLN  32  -8.420  12.417  -2.454
  279    H    CYS  33           HN       CYS  33  -5.316   8.172   1.085
  280    HA   CYS  33           HA       CYS  33  -4.206   5.970  -0.503
  281   1HB   CYS  33          2HB       CYS  33  -3.144   8.251  -0.612
  282   2HB   CYS  33          3HB       CYS  33  -2.705   8.068   1.080
  283    H    THR  34           HN       THR  34  -5.453   4.611   1.061
  284    HA   THR  34           HA       THR  34  -3.882   4.133   3.506
  285    HB   THR  34           HB       THR  34  -6.256   4.875   3.816
  286    HG1  THR  34           1HG      THR  34  -5.533   3.802   5.557
  287   1HG2  THR  34          1HG2      THR  34  -7.021   2.115   2.883
  288   2HG2  THR  34          2HG2      THR  34  -7.093   3.525   1.827
  289   3HG2  THR  34          3HG2      THR  34  -8.077   3.467   3.288
  290    H    CYS  35           HN       CYS  35  -5.371   1.544   3.882
  291    HA   CYS  35           HA       CYS  35  -3.698  -0.003   2.043
  292   1HB   CYS  35          2HB       CYS  35  -3.246  -0.721   4.208
  293   2HB   CYS  35          3HB       CYS  35  -4.926  -0.590   4.713
  294    H    SER  36           HN       SER  36  -4.465  -1.637   0.754
  295    HA   SER  36           HA       SER  36  -7.326  -2.174   0.676
  296   1HB   SER  36          2HB       SER  36  -6.076  -0.367  -1.135
  297   2HB   SER  36          3HB       SER  36  -6.498  -1.824  -2.034
  298    HG   SER  36           HG       SER  36  -8.633  -1.595  -1.095
  299    H    ASP  37           HN       ASP  37  -7.672  -4.263   0.392
  300    HA   ASP  37           HA       ASP  37  -5.683  -5.870  -1.062
  301   1HB   ASP  37          2HB       ASP  37  -5.226  -6.325   1.239
  302   2HB   ASP  37          3HB       ASP  37  -6.938  -6.470   1.621
  303    H    SER  38           HN       SER  38  -6.541  -7.864  -1.956
  304    HA   SER  38           HA       SER  38  -9.366  -7.568  -2.674
  305   1HB   SER  38          2HB       SER  38  -8.119  -7.709  -4.645
  306   2HB   SER  38          3HB       SER  38  -7.019  -8.915  -3.980
  307    HG   SER  38           HG       SER  38  -9.719  -9.281  -4.765
  308    H    LYS  39           HN       LYS  39  -7.330 -10.470  -2.523
  309    HA   LYS  39           HA       LYS  39  -8.703 -11.623  -0.314
  310   1HB   LYS  39          2HB       LYS  39  -9.742 -13.502  -1.631
  311   2HB   LYS  39          3HB       LYS  39 -10.526 -11.941  -1.821
  312   1HG   LYS  39          2HG       LYS  39  -9.798 -11.684  -3.991
  313   2HG   LYS  39          3HG       LYS  39  -8.438 -12.788  -3.776
  314   1HD   LYS  39          2HD       LYS  39  -9.652 -14.526  -4.459
  315   2HD   LYS  39          3HD       LYS  39 -10.946 -14.139  -3.323
  316   1HE   LYS  39          2HE       LYS  39 -10.715 -12.422  -5.721
  317   2HE   LYS  39          3HE       LYS  39 -11.261 -14.077  -5.983
  318   1HZ   LYS  39          1HZ       LYS  39 -13.209 -13.688  -4.956
  319   2HZ   LYS  39          2HZ       LYS  39 -12.889 -12.074  -5.343
  320   3HZ   LYS  39          3HZ       LYS  39 -12.537 -12.658  -3.795
  321    H    MET  40           HN       MET  40  -6.029 -11.215  -0.892
  322    HA   MET  40           HA       MET  40  -5.061 -13.969  -0.903
  323   1HB   MET  40          2HB       MET  40  -3.999 -11.795  -2.712
  324   2HB   MET  40          3HB       MET  40  -3.162 -13.310  -2.404
  325   1HG   MET  40          2HG       MET  40  -4.771 -14.566  -3.530
  326   2HG   MET  40          3HG       MET  40  -5.962 -13.268  -3.461
  327   1HE   MET  40          1HE       MET  40  -3.046 -14.862  -4.856
  328   2HE   MET  40          2HE       MET  40  -3.017 -14.354  -6.545
  329   3HE   MET  40          3HE       MET  40  -2.078 -13.470  -5.341
  330    H    ASN  41           HN       ASN  41  -2.418 -13.629  -0.692
  331    HA   ASN  41           HA       ASN  41  -2.152 -12.452   1.924
  332   1HB   ASN  41          2HB       ASN  41  -1.073 -14.628   1.190
  333   2HB   ASN  41          3HB       ASN  41   0.045 -13.657   0.237
  334   1HD2  ASN  41          1HD2      ASN  41  -0.874 -14.698   3.390
  335   2HD2  ASN  41          2HD2      ASN  41   0.470 -14.021   4.239
  336    H    THR  42           HN       THR  42  -1.330 -11.603  -1.352
  337    HA   THR  42           HA       THR  42   0.223  -9.313  -0.368
  338    HB   THR  42           HB       THR  42   0.504  -9.169  -3.068
  339    HG1  THR  42           1HG      THR  42   0.081 -11.048  -3.931
  340   1HG2  THR  42          1HG2      THR  42   2.557  -9.094  -2.178
  341   2HG2  THR  42          2HG2      THR  42   2.569 -10.852  -2.317
  342   3HG2  THR  42          3HG2      THR  42   2.079 -10.092  -0.803
  343    H    HIS  43           HN       HIS  43  -0.303  -7.275  -0.819
  344    HA   HIS  43           HA       HIS  43  -2.553  -6.585  -2.534
  345   1HB   HIS  43          2HB       HIS  43  -3.443  -5.167  -0.542
  346   2HB   HIS  43          3HB       HIS  43  -3.817  -6.888  -0.561
  347    HD1  HIS  43           1HD      HIS  43  -2.115  -8.380   0.897
  348    HD2  HIS  43           2HD      HIS  43  -2.214  -4.320   1.750
  349    HE1  HIS  43           1HE      HIS  43  -1.063  -8.130   3.141
  350    HE2  HIS  43           2HE      HIS  43  -1.221  -5.688   3.692
  351    H    SER  44           HN       SER  44  -2.857  -3.966  -1.806
  352    HA   SER  44           HA       SER  44  -0.304  -2.738  -1.362
  353   1HB   SER  44          2HB       SER  44  -0.240  -1.427  -3.442
  354   2HB   SER  44          3HB       SER  44  -0.070  -3.161  -3.746
  355    HG   SER  44           HG       SER  44  -2.643  -2.049  -3.809
  356    H    CYS  45           HN       CYS  45  -1.409  -0.251  -2.763
  357    HA   CYS  45           HA       CYS  45  -3.520   0.344  -0.807
  358   1HB   CYS  45          2HB       CYS  45  -1.110   2.059  -1.433
  359   2HB   CYS  45          3HB       CYS  45  -2.500   2.598  -0.488
  360    H    ASP  46           HN       ASP  46  -5.019   1.966  -1.375
  361    HA   ASP  46           HA       ASP  46  -5.138   2.474  -4.278
  362   1HB   ASP  46          2HB       ASP  46  -6.894   0.978  -3.219
  363   2HB   ASP  46          3HB       ASP  46  -7.479   2.414  -2.380
  364    H    CYS  47           HN       CYS  47  -3.660   4.308  -3.192
  365    HA   CYS  47           HA       CYS  47  -4.897   6.500  -1.945
  366   1HB   CYS  47          2HB       CYS  47  -2.645   6.787  -3.909
  367   2HB   CYS  47          3HB       CYS  47  -2.941   7.706  -2.436
  368    H    LYS  48           HN       LYS  48  -4.834   5.379  -5.186
  369    HA   LYS  48           HA       LYS  48  -6.499   7.656  -6.002
  370   1HB   LYS  48          2HB       LYS  48  -4.019   7.607  -6.848
  371   2HB   LYS  48          3HB       LYS  48  -4.617   6.372  -7.948
  372   1HG   LYS  48          2HG       LYS  48  -6.330   8.708  -7.903
  373   2HG   LYS  48          3HG       LYS  48  -4.667   9.102  -8.349
  374   1HD   LYS  48          2HD       LYS  48  -4.705   7.663 -10.199
  375   2HD   LYS  48          3HD       LYS  48  -6.126   6.799  -9.609
  376   1HE   LYS  48          2HE       LYS  48  -7.372   9.004  -9.877
  377   2HE   LYS  48          3HE       LYS  48  -5.974   9.555 -10.797
  378   1HZ   LYS  48          1HZ       LYS  48  -6.604   8.381 -12.563
  379   2HZ   LYS  48          2HZ       LYS  48  -8.104   8.206 -11.802
  380   3HZ   LYS  48          3HZ       LYS  48  -6.936   6.993 -11.652
  381    H    SER  49           HN       SER  49  -7.817   7.211  -7.866
  382    HA   SER  49           HA       SER  49  -9.127   4.675  -7.622
  383   1HB   SER  49          2HB       SER  49 -10.062   7.087  -8.227
  384   2HB   SER  49          3HB       SER  49  -9.756   6.533  -9.872
  385    HG   SER  49           HG       SER  49 -11.795   5.877  -9.414
  386    H    CYS  50           HN       CYS  50  -6.980   3.602  -8.234
  387    HA   CYS  50           HA       CYS  50  -6.446   3.515 -11.086
  388   1HB   CYS  50          2HB       CYS  50  -5.099   1.652  -9.193
  389   2HB   CYS  50          3HB       CYS  50  -4.434   2.539 -10.560
  Start of MODEL    9
    1   1H    ASN   1          1H        ASN   1  -6.553  19.844  -8.390
    2   2H    ASN   1          2H        ASN   1  -6.788  20.653  -6.923
    3   3H    ASN   1          3H        ASN   1  -6.066  19.125  -6.938
    4    HA   ASN   1           HA       ASN   1  -4.915  21.568  -8.155
    5   1HB   ASN   1          2HB       ASN   1  -3.301  20.565  -6.064
    6   2HB   ASN   1          3HB       ASN   1  -4.211  22.072  -6.088
    7   1HD2  ASN   1          1HD2      ASN   1  -3.916  18.976  -4.737
    8   2HD2  ASN   1          2HD2      ASN   1  -5.325  19.015  -3.737
    9    H    LEU   2           HN       LEU   2  -4.427  18.185  -7.182
   10    HA   LEU   2           HA       LEU   2  -2.948  17.633  -9.577
   11   1HB   LEU   2          2HB       LEU   2  -1.534  18.344  -7.158
   12   2HB   LEU   2          3HB       LEU   2  -1.152  16.701  -7.638
   13    HG   LEU   2           HG       LEU   2  -1.050  18.609  -9.857
   14   1HD1  LEU   2          1HD1      LEU   2  -0.097  20.248  -8.625
   15   2HD1  LEU   2          2HD1      LEU   2   0.415  19.145  -7.348
   16   3HD1  LEU   2          3HD1      LEU   2   1.340  19.249  -8.846
   17   1HD2  LEU   2          1HD2      LEU   2  -0.111  16.603 -10.405
   18   2HD2  LEU   2          2HD2      LEU   2   1.328  17.450  -9.834
   19   3HD2  LEU   2          3HD2      LEU   2   0.494  16.314  -8.773
   20    H    MET   3           HN       MET   3  -2.041  15.298  -9.445
   21    HA   MET   3           HA       MET   3  -4.165  13.651  -8.291
   22   1HB   MET   3          2HB       MET   3  -3.320  11.882  -9.790
   23   2HB   MET   3          3HB       MET   3  -3.761  13.343 -10.664
   24   1HG   MET   3          2HG       MET   3  -1.302  13.963 -10.565
   25   2HG   MET   3          3HG       MET   3  -1.018  12.303 -10.039
   26   1HE   MET   3          1HE       MET   3  -0.502  10.343 -12.216
   27   2HE   MET   3          2HE       MET   3  -1.895  10.350 -11.134
   28   3HE   MET   3          3HE       MET   3  -2.127  10.128 -12.869
   29    H    LYS   4           HN       LYS   4  -3.297  11.324  -7.728
   30    HA   LYS   4           HA       LYS   4  -1.091  11.710  -5.817
   31   1HB   LYS   4          2HB       LYS   4  -2.859   9.367  -5.490
   32   2HB   LYS   4          3HB       LYS   4  -2.203  10.461  -4.282
   33   1HG   LYS   4          2HG       LYS   4  -4.401  11.005  -4.126
   34   2HG   LYS   4          3HG       LYS   4  -3.917  12.141  -5.387
   35   1HD   LYS   4          2HD       LYS   4  -4.847  10.817  -7.088
   36   2HD   LYS   4          3HD       LYS   4  -4.959   9.401  -6.039
   37   1HE   LYS   4          2HE       LYS   4  -7.095   9.986  -5.745
   38   2HE   LYS   4          3HE       LYS   4  -6.471  11.268  -4.709
   39   1HZ   LYS   4          1HZ       LYS   4  -7.698  11.443  -7.303
   40   2HZ   LYS   4          2HZ       LYS   4  -6.263  12.331  -7.188
   41   3HZ   LYS   4          3HZ       LYS   4  -7.528  12.626  -6.105
   42    H    ARG   5           HN       ARG   5  -0.847   8.881  -5.268
   43    HA   ARG   5           HA       ARG   5  -0.058   7.660  -7.778
   44   1HB   ARG   5          2HB       ARG   5   1.819   9.086  -6.173
   45   2HB   ARG   5          3HB       ARG   5   2.200   7.373  -6.070
   46   1HG   ARG   5          2HG       ARG   5   2.711   7.209  -8.298
   47   2HG   ARG   5          3HG       ARG   5   1.685   8.575  -8.744
   48   1HD   ARG   5          2HD       ARG   5   3.670   9.558  -6.992
   49   2HD   ARG   5          3HD       ARG   5   4.485   8.537  -8.176
   50    HE   ARG   5           HE       ARG   5   3.113  11.043  -8.673
   51   1HH1  ARG   5          2HH1      ARG   5   4.528   8.158 -10.017
   52   2HH1  ARG   5          1HH1      ARG   5   4.740   8.842 -11.595
   53   1HH2  ARG   5          2HH2      ARG   5   3.388  11.953 -10.747
   54   2HH2  ARG   5          1HH2      ARG   5   4.091  10.998 -12.010
   55    H    CYS   6           HN       CYS   6  -1.902   6.386  -6.782
   56    HA   CYS   6           HA       CYS   6  -1.736   4.896  -4.465
   57   1HB   CYS   6          2HB       CYS   6  -3.243   3.271  -5.574
   58   2HB   CYS   6          3HB       CYS   6  -3.753   4.936  -5.822
   59    H    THR   7           HN       THR   7  -0.396   3.363  -3.751
   60    HA   THR   7           HA       THR   7   1.190   1.747  -3.666
   61    HB   THR   7           HB       THR   7   0.954  -0.099  -4.998
   62    HG1  THR   7           1HG      THR   7  -0.012   1.140  -7.297
   63   1HG2  THR   7          1HG2      THR   7  -1.315   0.757  -4.210
   64   2HG2  THR   7          2HG2      THR   7  -1.323  -0.431  -5.515
   65   3HG2  THR   7          3HG2      THR   7  -1.573   1.278  -5.875
   66    H    ARG   8           HN       ARG   8   3.328   1.333  -4.186
   67    HA   ARG   8           HA       ARG   8   4.541   3.265  -6.027
   68   1HB   ARG   8          2HB       ARG   8   5.199   2.546  -3.432
   69   2HB   ARG   8          3HB       ARG   8   6.358   1.646  -4.400
   70   1HG   ARG   8          2HG       ARG   8   7.582   3.498  -4.381
   71   2HG   ARG   8          3HG       ARG   8   6.416   4.141  -5.539
   72   1HD   ARG   8          2HD       ARG   8   5.081   4.749  -3.358
   73   2HD   ARG   8          3HD       ARG   8   6.670   4.652  -2.614
   74    HE   ARG   8           HE       ARG   8   7.127   6.681  -3.527
   75   1HH1  ARG   8          2HH1      ARG   8   4.686   5.142  -5.486
   76   2HH1  ARG   8          1HH1      ARG   8   4.508   6.496  -6.552
   77   1HH2  ARG   8          2HH2      ARG   8   6.896   8.464  -4.925
   78   2HH2  ARG   8          1HH2      ARG   8   5.763   8.383  -6.234
   79    H    GLY   9           HN       GLY   9   3.166   1.004  -6.989
   80   1HA   GLY   9          1HA       GLY   9   3.956  -0.084  -9.055
   81   2HA   GLY   9          2HA       GLY   9   5.382  -0.566  -8.144
   82    H    PHE  10           HN       PHE  10   2.452  -0.609  -6.405
   83    HA   PHE  10           HA       PHE  10   1.201  -2.273  -5.493
   84   1HB   PHE  10          2HB       PHE  10   0.403  -2.615  -7.764
   85   2HB   PHE  10          3HB       PHE  10   1.822  -3.584  -8.142
   86    HD1  PHE  10           1HD      PHE  10   1.583  -5.861  -8.140
   87    HD2  PHE  10           2HD      PHE  10  -0.964  -3.518  -5.671
   88    HE1  PHE  10           1HE      PHE  10   0.378  -7.897  -7.463
   89    HE2  PHE  10           2HE      PHE  10  -2.177  -5.548  -4.987
   90    HZ   PHE  10           HZ       PHE  10  -1.505  -7.742  -5.882
   91    H    ARG  11           HN       ARG  11   2.708  -2.708  -3.806
   92    HA   ARG  11           HA       ARG  11   3.722  -5.369  -3.905
   93   1HB   ARG  11          2HB       ARG  11   6.091  -4.791  -3.459
   94   2HB   ARG  11          3HB       ARG  11   5.547  -4.323  -5.062
   95   1HG   ARG  11          2HG       ARG  11   6.185  -2.240  -4.690
   96   2HG   ARG  11          3HG       ARG  11   5.103  -2.138  -3.298
   97   1HD   ARG  11          2HD       ARG  11   6.854  -2.103  -1.939
   98   2HD   ARG  11          3HD       ARG  11   7.345  -3.688  -2.540
   99    HE   ARG  11           HE       ARG  11   8.179  -1.728  -4.366
  100   1HH1  ARG  11          2HH1      ARG  11   8.875  -2.840  -1.138
  101   2HH1  ARG  11          1HH1      ARG  11  10.529  -2.331  -1.181
  102   1HH2  ARG  11          2HH2      ARG  11  10.354  -1.054  -4.431
  103   2HH2  ARG  11          1HH2      ARG  11  11.369  -1.313  -3.051
  104    H    LYS  12           HN       LYS  12   1.933  -4.750  -2.162
  105    HA   LYS  12           HA       LYS  12   3.365  -4.313   0.378
  106   1HB   LYS  12          2HB       LYS  12   0.458  -3.795  -0.309
  107   2HB   LYS  12          3HB       LYS  12   1.106  -3.723   1.321
  108   1HG   LYS  12          2HG       LYS  12   0.897  -1.496   0.386
  109   2HG   LYS  12          3HG       LYS  12   2.594  -1.895   0.643
  110   1HD   LYS  12          2HD       LYS  12   3.018  -2.092  -1.628
  111   2HD   LYS  12          3HD       LYS  12   1.320  -2.369  -2.020
  112   1HE   LYS  12          2HE       LYS  12   0.945  -0.192  -2.304
  113   2HE   LYS  12          3HE       LYS  12   1.707   0.205  -0.763
  114   1HZ   LYS  12          1HZ       LYS  12   2.773   1.181  -2.795
  115   2HZ   LYS  12          2HZ       LYS  12   3.260  -0.382  -3.218
  116   3HZ   LYS  12          3HZ       LYS  12   3.816   0.316  -1.781
  117    H    LEU  13           HN       LEU  13   2.741  -5.810   2.153
  118    HA   LEU  13           HA       LEU  13   1.217  -8.151   1.269
  119   1HB   LEU  13          2HB       LEU  13   3.170  -9.553   2.300
  120   2HB   LEU  13          3HB       LEU  13   3.221  -9.020   0.630
  121    HG   LEU  13           HG       LEU  13   4.420  -6.974   2.178
  122   1HD1  LEU  13          1HD1      LEU  13   4.629  -9.329   3.594
  123   2HD1  LEU  13          2HD1      LEU  13   6.139  -9.263   2.685
  124   3HD1  LEU  13          3HD1      LEU  13   5.688  -7.928   3.744
  125   1HD2  LEU  13          1HD2      LEU  13   4.927  -7.534  -0.146
  126   2HD2  LEU  13          2HD2      LEU  13   6.384  -7.543   0.847
  127   3HD2  LEU  13          3HD2      LEU  13   5.631  -9.066   0.372
  128    H    GLY  14           HN       GLY  14   0.705  -9.692   2.916
  129   1HA   GLY  14          1HA       GLY  14   0.470 -10.400   5.159
  130   2HA   GLY  14          2HA       GLY  14   1.052  -8.831   5.694
  131    H    LYS  15           HN       LYS  15  -1.686 -10.100   3.764
  132    HA   LYS  15           HA       LYS  15  -3.754  -8.970   3.516
  133   1HB   LYS  15          2HB       LYS  15  -3.791 -10.385   6.186
  134   2HB   LYS  15          3HB       LYS  15  -5.190 -10.003   5.200
  135   1HG   LYS  15          2HG       LYS  15  -4.383 -11.463   3.435
  136   2HG   LYS  15          3HG       LYS  15  -2.946 -11.831   4.392
  137   1HD   LYS  15          2HD       LYS  15  -4.561 -12.638   6.196
  138   2HD   LYS  15          3HD       LYS  15  -5.805 -12.575   4.947
  139   1HE   LYS  15          2HE       LYS  15  -3.545 -13.921   3.878
  140   2HE   LYS  15          3HE       LYS  15  -3.901 -14.623   5.455
  141   1HZ   LYS  15          1HZ       LYS  15  -5.525 -14.601   3.018
  142   2HZ   LYS  15          2HZ       LYS  15  -6.330 -14.573   4.505
  143   3HZ   LYS  15          3HZ       LYS  15  -5.277 -15.845   4.138
  144    H    CYS  16           HN       CYS  16  -3.298  -6.745   3.632
  145    HA   CYS  16           HA       CYS  16  -3.380  -4.632   4.454
  146   1HB   CYS  16          2HB       CYS  16  -5.757  -5.848   5.105
  147   2HB   CYS  16          3HB       CYS  16  -5.223  -5.216   6.660
  148    H    THR  17           HN       THR  17  -1.173  -5.532   5.225
  149    HA   THR  17           HA       THR  17  -0.848  -5.728   8.079
  150    HB   THR  17           HB       THR  17   0.659  -6.430   5.770
  151    HG1  THR  17           1HG      THR  17   0.443  -7.851   7.449
  152   1HG2  THR  17          1HG2      THR  17   1.907  -4.347   6.031
  153   2HG2  THR  17          2HG2      THR  17   2.917  -5.733   6.445
  154   3HG2  THR  17          3HG2      THR  17   2.225  -4.732   7.722
  155    H    THR  18           HN       THR  18   0.654  -4.335   9.272
  156    HA   THR  18           HA       THR  18  -0.033  -1.647   9.174
  157    HB   THR  18           HB       THR  18   2.236  -3.115  10.478
  158    HG1  THR  18           1HG      THR  18   0.847  -1.670  12.169
  159   1HG2  THR  18          1HG2      THR  18   3.344  -1.249  11.158
  160   2HG2  THR  18          2HG2      THR  18   1.889  -0.253  11.155
  161   3HG2  THR  18          3HG2      THR  18   2.717  -0.608   9.639
  162    H    LEU  19           HN       LEU  19   3.097  -3.087   8.232
  163    HA   LEU  19           HA       LEU  19   4.339  -0.878   7.198
  164   1HB   LEU  19          2HB       LEU  19   4.901  -3.539   7.286
  165   2HB   LEU  19          3HB       LEU  19   4.668  -3.306   5.565
  166    HG   LEU  19           HG       LEU  19   7.049  -3.108   6.449
  167   1HD1  LEU  19          1HD1      LEU  19   7.388  -2.123   4.495
  168   2HD1  LEU  19          2HD1      LEU  19   5.671  -1.730   4.415
  169   3HD1  LEU  19          3HD1      LEU  19   6.804  -0.587   5.137
  170   1HD2  LEU  19          1HD2      LEU  19   6.019  -1.498   8.323
  171   2HD2  LEU  19          2HD2      LEU  19   7.695  -1.394   7.779
  172   3HD2  LEU  19          3HD2      LEU  19   6.484  -0.289   7.127
  173    H    GLU  20           HN       GLU  20   1.691  -2.639   5.853
  174    HA   GLU  20           HA       GLU  20   1.976  -1.552   3.212
  175   1HB   GLU  20          2HB       GLU  20   0.760  -3.415   2.872
  176   2HB   GLU  20          3HB       GLU  20   0.247  -3.483   4.550
  177   1HG   GLU  20          2HG       GLU  20  -1.742  -3.267   3.409
  178   2HG   GLU  20          3HG       GLU  20  -1.394  -1.608   3.893
  179    H    GLU  21           HN       GLU  21  -0.357  -1.016   5.878
  180    HA   GLU  21           HA       GLU  21  -1.694   1.139   4.636
  181   1HB   GLU  21          2HB       GLU  21  -2.668   1.589   6.759
  182   2HB   GLU  21          3HB       GLU  21  -2.467  -0.155   6.681
  183   1HG   GLU  21          2HG       GLU  21  -0.857  -0.183   8.290
  184   2HG   GLU  21          3HG       GLU  21  -0.300   1.447   7.919
  185    H    GLU  22           HN       GLU  22   1.305   0.803   6.269
  186    HA   GLU  22           HA       GLU  22   1.777   3.557   6.828
  187   1HB   GLU  22          2HB       GLU  22   3.254   1.007   7.023
  188   2HB   GLU  22          3HB       GLU  22   4.248   2.428   6.756
  189   1HG   GLU  22          2HG       GLU  22   2.448   3.154   8.759
  190   2HG   GLU  22          3HG       GLU  22   2.963   1.515   9.155
  191    H    LYS  23           HN       LYS  23   2.795   1.267   4.299
  192    HA   LYS  23           HA       LYS  23   4.444   2.908   2.820
  193   1HB   LYS  23          2HB       LYS  23   4.102   0.519   2.318
  194   2HB   LYS  23          3HB       LYS  23   2.476   0.874   1.752
  195   1HG   LYS  23          2HG       LYS  23   3.277   1.257  -0.282
  196   2HG   LYS  23          3HG       LYS  23   4.298   2.552   0.359
  197   1HD   LYS  23          2HD       LYS  23   5.693   0.945  -0.734
  198   2HD   LYS  23          3HD       LYS  23   5.971   0.828   0.999
  199   1HE   LYS  23          2HE       LYS  23   3.864  -0.938   0.372
  200   2HE   LYS  23          3HE       LYS  23   5.123  -1.192  -0.838
  201   1HZ   LYS  23          1HZ       LYS  23   5.638  -1.170   2.084
  202   2HZ   LYS  23          2HZ       LYS  23   6.703  -1.643   0.859
  203   3HZ   LYS  23          3HZ       LYS  23   5.337  -2.581   1.199
  204    H    CYS  24           HN       CYS  24   0.952   2.671   2.891
  205    HA   CYS  24           HA       CYS  24   0.397   4.382   0.733
  206   1HB   CYS  24          2HB       CYS  24  -1.318   3.981   3.182
  207   2HB   CYS  24          3HB       CYS  24  -1.847   4.417   1.559
  208    H    LYS  25           HN       LYS  25   0.564   5.051   4.230
  209    HA   LYS  25           HA       LYS  25   0.061   7.846   3.887
  210   1HB   LYS  25          2HB       LYS  25   0.642   6.030   6.139
  211   2HB   LYS  25          3HB       LYS  25   1.124   7.705   6.369
  212   1HG   LYS  25          2HG       LYS  25  -1.068   7.439   7.256
  213   2HG   LYS  25          3HG       LYS  25  -1.199   8.383   5.772
  214   1HD   LYS  25          2HD       LYS  25  -1.447   5.462   5.456
  215   2HD   LYS  25          3HD       LYS  25  -2.753   6.249   6.345
  216   1HE   LYS  25          2HE       LYS  25  -1.793   7.343   3.724
  217   2HE   LYS  25          3HE       LYS  25  -2.952   6.015   3.779
  218   1HZ   LYS  25          1HZ       LYS  25  -3.525   8.689   3.941
  219   2HZ   LYS  25          2HZ       LYS  25  -3.699   8.137   5.531
  220   3HZ   LYS  25          3HZ       LYS  25  -4.583   7.413   4.283
  221    H    THR  26           HN       THR  26   2.946   6.307   5.306
  222    HA   THR  26           HA       THR  26   4.647   8.425   5.285
  223    HB   THR  26           HB       THR  26   6.531   6.788   5.051
  224    HG1  THR  26           1HG      THR  26   5.259   4.519   5.283
  225   1HG2  THR  26          1HG2      THR  26   4.389   6.757   7.045
  226   2HG2  THR  26          2HG2      THR  26   6.136   6.851   7.261
  227   3HG2  THR  26          3HG2      THR  26   5.361   5.285   7.021
  228    H    LEU  27           HN       LEU  27   3.979   6.301   2.510
  229    HA   LEU  27           HA       LEU  27   5.948   7.606   0.859
  230   1HB   LEU  27          2HB       LEU  27   3.751   5.653   0.223
  231   2HB   LEU  27          3HB       LEU  27   4.803   6.329  -0.995
  232    HG   LEU  27           HG       LEU  27   5.349   4.010  -0.170
  233   1HD1  LEU  27          1HD1      LEU  27   7.371   4.357  -0.975
  234   2HD1  LEU  27          2HD1      LEU  27   6.926   6.064  -1.061
  235   3HD1  LEU  27          3HD1      LEU  27   7.802   5.449   0.343
  236   1HD2  LEU  27          1HD2      LEU  27   4.995   4.431   2.219
  237   2HD2  LEU  27          2HD2      LEU  27   6.604   3.791   1.881
  238   3HD2  LEU  27          3HD2      LEU  27   6.392   5.508   2.223
  239    H    TYR  28           HN       TYR  28   2.439   7.710   1.244
  240    HA   TYR  28           HA       TYR  28   2.404  10.092  -0.497
  241   1HB   TYR  28          2HB       TYR  28   0.053   8.254  -0.372
  242   2HB   TYR  28          3HB       TYR  28   0.596   9.288  -1.691
  243    HD1  TYR  28           1HD      TYR  28   0.590   5.993  -0.330
  244    HD2  TYR  28           2HD      TYR  28   2.729   8.552  -2.970
  245    HE1  TYR  28           1HE      TYR  28   1.630   4.036  -1.371
  246    HE2  TYR  28           2HE      TYR  28   3.768   6.593  -4.027
  247    HH   TYR  28           HH       TYR  28   2.780   3.326  -3.192
  248    HA   PRO  29           HA       PRO  29   0.252  11.651   3.150
  249   1HB   PRO  29          2HB       PRO  29   0.348  14.248   2.540
  250   2HB   PRO  29          3HB       PRO  29   1.814  13.373   3.000
  251   1HG   PRO  29          2HG       PRO  29   0.854  14.160   0.279
  252   2HG   PRO  29          3HG       PRO  29   2.495  14.214   0.945
  253   1HD   PRO  29          2HD       PRO  29   1.519  12.203  -0.685
  254   2HD   PRO  29          3HD       PRO  29   2.899  12.031   0.415
  255    H    ARG  30           HN       ARG  30  -1.278  10.469   1.082
  256    HA   ARG  30           HA       ARG  30  -3.219  12.323   0.081
  257   1HB   ARG  30          2HB       ARG  30  -2.468   9.664  -0.454
  258   2HB   ARG  30          3HB       ARG  30  -4.148   9.593   0.069
  259   1HG   ARG  30          2HG       ARG  30  -3.225  11.526  -2.037
  260   2HG   ARG  30          3HG       ARG  30  -3.685   9.867  -2.424
  261   1HD   ARG  30          2HD       ARG  30  -5.884  10.249  -2.052
  262   2HD   ARG  30          3HD       ARG  30  -5.574  11.378  -0.735
  263    HE   ARG  30           HE       ARG  30  -5.838  12.004  -3.550
  264   1HH1  ARG  30          2HH1      ARG  30  -4.802  13.085  -0.404
  265   2HH1  ARG  30          1HH1      ARG  30  -4.881  14.765  -0.814
  266   1HH2  ARG  30          2HH2      ARG  30  -5.945  14.213  -4.098
  267   2HH2  ARG  30          1HH2      ARG  30  -5.531  15.407  -2.913
  268    H    GLY  31           HN       GLY  31  -5.515  12.135   0.469
  269   1HA   GLY  31          1HA       GLY  31  -6.087  11.651   3.317
  270   2HA   GLY  31          2HA       GLY  31  -6.989  12.745   2.271
  271    H    GLN  32           HN       GLN  32  -6.482  10.333   0.278
  272    HA   GLN  32           HA       GLN  32  -8.767   8.719   1.185
  273   1HB   GLN  32          2HB       GLN  32  -8.281   9.189  -1.735
  274   2HB   GLN  32          3HB       GLN  32  -9.773   8.755  -0.910
  275   1HG   GLN  32          2HG       GLN  32  -9.689  11.075   0.129
  276   2HG   GLN  32          3HG       GLN  32  -8.448  11.439  -1.069
  277   1HE2  GLN  32          1HE2      GLN  32  -9.068  12.056  -3.031
  278   2HE2  GLN  32          2HE2      GLN  32 -10.684  11.998  -3.635
  279    H    CYS  33           HN       CYS  33  -5.732   8.456   1.166
  280    HA   CYS  33           HA       CYS  33  -5.455   6.021  -0.452
  281   1HB   CYS  33          2HB       CYS  33  -3.688   7.799  -0.599
  282   2HB   CYS  33          3HB       CYS  33  -3.309   7.494   1.092
  283    H    THR  34           HN       THR  34  -4.747   4.063   0.491
  284    HA   THR  34           HA       THR  34  -4.202   3.708   3.217
  285    HB   THR  34           HB       THR  34  -6.618   4.451   3.313
  286    HG1  THR  34           1HG      THR  34  -6.638   3.351   5.128
  287   1HG2  THR  34          1HG2      THR  34  -8.346   3.128   2.550
  288   2HG2  THR  34          2HG2      THR  34  -7.370   1.660   2.545
  289   3HG2  THR  34          3HG2      THR  34  -7.146   2.871   1.283
  290    H    CYS  35           HN       CYS  35  -5.449   1.161   3.601
  291    HA   CYS  35           HA       CYS  35  -3.840  -0.383   1.714
  292   1HB   CYS  35          2HB       CYS  35  -3.272  -1.106   3.829
  293   2HB   CYS  35          3HB       CYS  35  -4.893  -0.849   4.467
  294    H    SER  36           HN       SER  36  -4.670  -1.570   0.165
  295    HA   SER  36           HA       SER  36  -7.506  -2.333   0.292
  296   1HB   SER  36          2HB       SER  36  -6.857  -0.395  -1.325
  297   2HB   SER  36          3HB       SER  36  -6.175  -1.681  -2.321
  298    HG   SER  36           HG       SER  36  -8.614  -2.404  -1.509
  299    H    ASP  37           HN       ASP  37  -7.901  -4.411  -0.039
  300    HA   ASP  37           HA       ASP  37  -5.960  -6.060  -1.487
  301   1HB   ASP  37          2HB       ASP  37  -5.406  -6.311   0.886
  302   2HB   ASP  37          3HB       ASP  37  -7.080  -6.719   1.248
  303    H    SER  38           HN       SER  38  -6.848  -8.083  -2.254
  304    HA   SER  38           HA       SER  38  -9.732  -7.871  -2.732
  305   1HB   SER  38          2HB       SER  38  -9.049  -9.788  -4.441
  306   2HB   SER  38          3HB       SER  38  -8.793  -8.085  -4.823
  307    HG   SER  38           HG       SER  38  -6.764  -9.430  -3.460
  308    H    LYS  39           HN       LYS  39  -7.538 -10.667  -2.576
  309    HA   LYS  39           HA       LYS  39  -8.746 -11.800  -0.269
  310   1HB   LYS  39          2HB       LYS  39  -9.763 -13.778  -1.451
  311   2HB   LYS  39          3HB       LYS  39 -10.631 -12.264  -1.660
  312   1HG   LYS  39          2HG       LYS  39  -9.821 -12.001  -3.872
  313   2HG   LYS  39          3HG       LYS  39  -8.659 -13.313  -3.670
  314   1HD   LYS  39          2HD       LYS  39 -11.334 -14.221  -3.099
  315   2HD   LYS  39          3HD       LYS  39 -11.253 -13.485  -4.700
  316   1HE   LYS  39          2HE       LYS  39  -9.452 -15.673  -3.667
  317   2HE   LYS  39          3HE       LYS  39 -10.796 -15.888  -4.787
  318   1HZ   LYS  39          1HZ       LYS  39  -9.644 -14.438  -6.360
  319   2HZ   LYS  39          2HZ       LYS  39  -8.714 -15.797  -5.975
  320   3HZ   LYS  39          3HZ       LYS  39  -8.340 -14.296  -5.291
  321    H    MET  40           HN       MET  40  -6.133 -11.310  -0.938
  322    HA   MET  40           HA       MET  40  -5.052 -14.029  -1.026
  323   1HB   MET  40          2HB       MET  40  -3.904 -11.734  -2.626
  324   2HB   MET  40          3HB       MET  40  -3.262 -13.369  -2.544
  325   1HG   MET  40          2HG       MET  40  -6.020 -12.774  -3.562
  326   2HG   MET  40          3HG       MET  40  -4.598 -12.755  -4.603
  327   1HE   MET  40          1HE       MET  40  -3.455 -14.582  -5.529
  328   2HE   MET  40          2HE       MET  40  -2.797 -15.276  -4.048
  329   3HE   MET  40          3HE       MET  40  -3.663 -16.301  -5.191
  330    H    ASN  41           HN       ASN  41  -2.380 -13.438  -0.871
  331    HA   ASN  41           HA       ASN  41  -2.206 -12.382   1.832
  332   1HB   ASN  41          2HB       ASN  41  -1.061 -14.459   1.456
  333   2HB   ASN  41          3HB       ASN  41  -0.216 -13.803   0.057
  334   1HD2  ASN  41          1HD2      ASN  41  -0.383 -13.919   3.514
  335   2HD2  ASN  41          2HD2      ASN  41   1.145 -13.173   3.819
  336    H    THR  42           HN       THR  42  -1.334 -11.486  -1.421
  337    HA   THR  42           HA       THR  42   0.203  -9.206  -0.397
  338    HB   THR  42           HB       THR  42   0.399  -9.010  -3.121
  339    HG1  THR  42           1HG      THR  42   0.121 -10.919  -3.992
  340   1HG2  THR  42          1HG2      THR  42   2.068  -9.861  -0.898
  341   2HG2  THR  42          2HG2      THR  42   2.467  -8.848  -2.287
  342   3HG2  THR  42          3HG2      THR  42   2.550 -10.605  -2.424
  343    H    HIS  43           HN       HIS  43  -0.315  -7.149  -0.826
  344    HA   HIS  43           HA       HIS  43  -2.619  -6.431  -2.454
  345   1HB   HIS  43          2HB       HIS  43  -3.372  -5.023  -0.348
  346   2HB   HIS  43          3HB       HIS  43  -3.862  -6.710  -0.488
  347    HD1  HIS  43           1HD      HIS  43  -2.032  -8.391   0.703
  348    HD2  HIS  43           2HD      HIS  43  -2.233  -4.471   2.050
  349    HE1  HIS  43           1HE      HIS  43  -0.923  -8.384   2.935
  350    HE2  HIS  43           2HE      HIS  43  -0.970  -5.994   3.701
  351    H    SER  44           HN       SER  44  -2.888  -3.815  -1.877
  352    HA   SER  44           HA       SER  44  -0.323  -2.606  -1.381
  353   1HB   SER  44          2HB       SER  44  -0.152  -1.392  -3.503
  354   2HB   SER  44          3HB       SER  44  -0.049  -3.141  -3.748
  355    HG   SER  44           HG       SER  44  -1.461  -2.101  -5.252
  356    H    CYS  45           HN       CYS  45  -0.973  -0.069  -2.603
  357    HA   CYS  45           HA       CYS  45  -3.019   0.768  -0.679
  358   1HB   CYS  45          2HB       CYS  45  -0.984   2.415  -2.197
  359   2HB   CYS  45          3HB       CYS  45  -2.110   3.038  -0.994
  360    H    ASP  46           HN       ASP  46  -4.207   2.880  -1.493
  361    HA   ASP  46           HA       ASP  46  -4.929   2.731  -4.303
  362   1HB   ASP  46          2HB       ASP  46  -6.361   1.093  -2.854
  363   2HB   ASP  46          3HB       ASP  46  -7.183   2.559  -2.332
  364    H    CYS  47           HN       CYS  47  -3.621   4.802  -3.167
  365    HA   CYS  47           HA       CYS  47  -5.254   6.832  -2.076
  366   1HB   CYS  47          2HB       CYS  47  -2.997   7.690  -3.777
  367   2HB   CYS  47          3HB       CYS  47  -3.388   8.131  -2.119
  368    H    LYS  48           HN       LYS  48  -4.816   5.612  -5.232
  369    HA   LYS  48           HA       LYS  48  -6.667   7.627  -6.289
  370   1HB   LYS  48          2HB       LYS  48  -4.256   8.102  -6.950
  371   2HB   LYS  48          3HB       LYS  48  -4.307   6.604  -7.868
  372   1HG   LYS  48          2HG       LYS  48  -6.566   7.955  -8.702
  373   2HG   LYS  48          3HG       LYS  48  -5.352   9.224  -8.526
  374   1HD   LYS  48          2HD       LYS  48  -4.027   8.376 -10.180
  375   2HD   LYS  48          3HD       LYS  48  -4.541   6.713  -9.888
  376   1HE   LYS  48          2HE       LYS  48  -5.338   7.619 -12.051
  377   2HE   LYS  48          3HE       LYS  48  -6.645   7.116 -10.980
  378   1HZ   LYS  48          1HZ       LYS  48  -6.906   9.325 -12.159
  379   2HZ   LYS  48          2HZ       LYS  48  -5.727   9.925 -11.104
  380   3HZ   LYS  48          3HZ       LYS  48  -7.184   9.322 -10.490
  381    H    SER  49           HN       SER  49  -8.336   6.738  -7.263
  382    HA   SER  49           HA       SER  49  -8.981   4.098  -7.308
  383   1HB   SER  49          2HB       SER  49 -10.201   6.381  -8.175
  384   2HB   SER  49          3HB       SER  49  -9.943   5.528  -9.697
  385    HG   SER  49           HG       SER  49 -11.301   4.566  -7.399
  386    H    CYS  50           HN       CYS  50  -7.364   2.696  -7.914
  387    HA   CYS  50           HA       CYS  50  -6.907   2.476 -10.795
  388   1HB   CYS  50          2HB       CYS  50  -4.501   2.045 -10.440
  389   2HB   CYS  50          3HB       CYS  50  -4.956   3.675  -9.960
  Start of MODEL   10
    1   1H    ASN   1          1H        ASN   1  -5.651  14.707 -15.143
    2   2H    ASN   1          2H        ASN   1  -4.143  14.037 -14.776
    3   3H    ASN   1          3H        ASN   1  -4.670  15.424 -13.965
    4    HA   ASN   1           HA       ASN   1  -6.084  14.310 -12.611
    5   1HB   ASN   1          2HB       ASN   1  -6.896  13.187 -14.976
    6   2HB   ASN   1          3HB       ASN   1  -6.270  11.785 -14.113
    7   1HD2  ASN   1          1HD2      ASN   1  -6.916  12.281 -11.550
    8   2HD2  ASN   1          2HD2      ASN   1  -8.631  12.368 -11.361
    9    H    LEU   2           HN       LEU   2  -3.127  14.114 -13.071
   10    HA   LEU   2           HA       LEU   2  -2.597  11.543 -11.747
   11   1HB   LEU   2          2HB       LEU   2  -1.318  12.843 -13.881
   12   2HB   LEU   2          3HB       LEU   2  -0.225  12.991 -12.518
   13    HG   LEU   2           HG       LEU   2  -0.717  10.398 -12.281
   14   1HD1  LEU   2          1HD1      LEU   2  -0.607  10.032 -15.081
   15   2HD1  LEU   2          2HD1      LEU   2  -1.846   9.483 -13.951
   16   3HD1  LEU   2          3HD1      LEU   2  -2.000  11.057 -14.733
   17   1HD2  LEU   2          1HD2      LEU   2   1.488  11.274 -12.558
   18   2HD2  LEU   2          2HD2      LEU   2   1.261   9.998 -13.754
   19   3HD2  LEU   2          3HD2      LEU   2   1.170  11.690 -14.243
   20    H    MET   3           HN       MET   3  -3.713  13.290 -10.069
   21    HA   MET   3           HA       MET   3  -2.006  15.104  -8.773
   22   1HB   MET   3          2HB       MET   3  -4.539  13.701  -8.045
   23   2HB   MET   3          3HB       MET   3  -3.644  14.530  -6.778
   24   1HG   MET   3          2HG       MET   3  -3.753  16.606  -8.070
   25   2HG   MET   3          3HG       MET   3  -4.672  15.771  -9.320
   26   1HE   MET   3          1HE       MET   3  -6.406  18.429  -7.986
   27   2HE   MET   3          2HE       MET   3  -6.282  18.235  -6.236
   28   3HE   MET   3          3HE       MET   3  -4.824  18.238  -7.229
   29    H    LYS   4           HN       LYS   4  -2.884  11.766  -7.875
   30    HA   LYS   4           HA       LYS   4  -0.383  11.640  -6.321
   31   1HB   LYS   4          2HB       LYS   4  -2.234   9.681  -5.383
   32   2HB   LYS   4          3HB       LYS   4  -1.529  11.033  -4.507
   33   1HG   LYS   4          2HG       LYS   4  -3.635  11.735  -4.289
   34   2HG   LYS   4          3HG       LYS   4  -3.475  12.268  -5.964
   35   1HD   LYS   4          2HD       LYS   4  -4.144   9.671  -6.329
   36   2HD   LYS   4          3HD       LYS   4  -5.000  10.020  -4.824
   37   1HE   LYS   4          2HE       LYS   4  -6.558  10.572  -6.457
   38   2HE   LYS   4          3HE       LYS   4  -5.839  12.128  -6.045
   39   1HZ   LYS   4          1HZ       LYS   4  -5.375  12.367  -8.183
   40   2HZ   LYS   4          2HZ       LYS   4  -5.888  10.795  -8.542
   41   3HZ   LYS   4          3HZ       LYS   4  -4.287  11.076  -8.074
   42    H    ARG   5           HN       ARG   5  -0.416   8.933  -5.732
   43    HA   ARG   5           HA       ARG   5  -0.742   7.440  -8.183
   44   1HB   ARG   5          2HB       ARG   5   1.744   6.702  -8.002
   45   2HB   ARG   5          3HB       ARG   5   1.353   8.213  -8.811
   46   1HG   ARG   5          2HG       ARG   5   1.734   8.774  -6.057
   47   2HG   ARG   5          3HG       ARG   5   3.082   7.776  -6.610
   48   1HD   ARG   5          2HD       ARG   5   3.978   9.644  -7.428
   49   2HD   ARG   5          3HD       ARG   5   2.717   9.601  -8.658
   50    HE   ARG   5           HE       ARG   5   1.463  10.892  -6.703
   51   1HH1  ARG   5          2HH1      ARG   5   4.681  11.306  -7.978
   52   2HH1  ARG   5          1HH1      ARG   5   4.745  12.998  -7.616
   53   1HH2  ARG   5          2HH2      ARG   5   1.539  13.120  -6.226
   54   2HH2  ARG   5          1HH2      ARG   5   2.961  14.029  -6.621
   55    H    CYS   6           HN       CYS   6  -2.044   6.024  -7.075
   56    HA   CYS   6           HA       CYS   6  -1.556   4.936  -4.549
   57   1HB   CYS   6          2HB       CYS   6  -3.365   3.557  -4.945
   58   2HB   CYS   6          3HB       CYS   6  -3.656   4.817  -6.137
   59    H    THR   7           HN       THR   7  -0.355   3.263  -3.804
   60    HA   THR   7           HA       THR   7   1.254   1.668  -3.718
   61    HB   THR   7           HB       THR   7   0.990  -0.198  -5.010
   62    HG1  THR   7           1HG      THR   7   0.253   0.094  -7.320
   63   1HG2  THR   7          1HG2      THR   7  -1.417  -0.020  -6.130
   64   2HG2  THR   7          2HG2      THR   7  -1.472   1.456  -5.166
   65   3HG2  THR   7          3HG2      THR   7  -1.202  -0.100  -4.381
   66    H    ARG   8           HN       ARG   8   3.375   1.209  -4.301
   67    HA   ARG   8           HA       ARG   8   4.583   3.143  -6.148
   68   1HB   ARG   8          2HB       ARG   8   5.294   2.246  -3.574
   69   2HB   ARG   8          3HB       ARG   8   6.471   1.524  -4.664
   70   1HG   ARG   8          2HG       ARG   8   7.569   3.450  -4.420
   71   2HG   ARG   8          3HG       ARG   8   6.391   4.087  -5.569
   72   1HD   ARG   8          2HD       ARG   8   4.987   4.386  -3.322
   73   2HD   ARG   8          3HD       ARG   8   6.606   4.489  -2.640
   74    HE   ARG   8           HE       ARG   8   5.284   6.450  -4.253
   75   1HH1  ARG   8          2HH1      ARG   8   8.398   5.166  -3.358
   76   2HH1  ARG   8          1HH1      ARG   8   9.248   6.632  -3.717
   77   1HH2  ARG   8          2HH2      ARG   8   6.395   8.379  -4.732
   78   2HH2  ARG   8          1HH2      ARG   8   8.110   8.458  -4.497
   79    H    GLY   9           HN       GLY   9   3.132   0.955  -7.115
   80   1HA   GLY   9          1HA       GLY   9   3.783  -0.174  -9.186
   81   2HA   GLY   9          2HA       GLY   9   5.266  -0.656  -8.365
   82    H    PHE  10           HN       PHE  10   2.448  -0.649  -6.456
   83    HA   PHE  10           HA       PHE  10   1.246  -2.269  -5.431
   84   1HB   PHE  10          2HB       PHE  10   0.195  -2.732  -7.487
   85   2HB   PHE  10          3HB       PHE  10   1.633  -3.486  -8.159
   86    HD1  PHE  10           1HD      PHE  10  -0.291  -4.019  -5.009
   87    HD2  PHE  10           2HD      PHE  10   1.214  -5.692  -8.616
   88    HE1  PHE  10           1HE      PHE  10  -1.149  -6.228  -4.337
   89    HE2  PHE  10           2HE      PHE  10   0.361  -7.903  -7.954
   90    HZ   PHE  10           HZ       PHE  10  -0.823  -8.173  -5.811
   91    H    ARG  11           HN       ARG  11   2.634  -2.807  -3.754
   92    HA   ARG  11           HA       ARG  11   3.738  -5.416  -3.895
   93   1HB   ARG  11          2HB       ARG  11   6.105  -4.790  -3.487
   94   2HB   ARG  11          3HB       ARG  11   5.518  -4.333  -5.080
   95   1HG   ARG  11          2HG       ARG  11   6.177  -2.257  -4.713
   96   2HG   ARG  11          3HG       ARG  11   5.044  -2.142  -3.363
   97   1HD   ARG  11          2HD       ARG  11   6.690  -2.227  -1.868
   98   2HD   ARG  11          3HD       ARG  11   7.404  -3.643  -2.643
   99    HE   ARG  11           HE       ARG  11   7.984  -1.327  -4.147
  100   1HH1  ARG  11          2HH1      ARG  11   8.831  -2.900  -1.155
  101   2HH1  ARG  11          1HH1      ARG  11  10.420  -2.214  -1.096
  102   1HH2  ARG  11          2HH2      ARG  11  10.073  -0.419  -4.076
  103   2HH2  ARG  11          1HH2      ARG  11  11.125  -0.803  -2.755
  104    H    LYS  12           HN       LYS  12   1.941  -4.716  -2.130
  105    HA   LYS  12           HA       LYS  12   3.409  -4.314   0.394
  106   1HB   LYS  12          2HB       LYS  12   0.490  -3.815  -0.257
  107   2HB   LYS  12          3HB       LYS  12   1.153  -3.750   1.367
  108   1HG   LYS  12          2HG       LYS  12   0.909  -1.519   0.428
  109   2HG   LYS  12          3HG       LYS  12   2.606  -1.901   0.711
  110   1HD   LYS  12          2HD       LYS  12   3.060  -2.110  -1.561
  111   2HD   LYS  12          3HD       LYS  12   1.363  -2.363  -1.973
  112   1HE   LYS  12          2HE       LYS  12   0.947  -0.162  -2.117
  113   2HE   LYS  12          3HE       LYS  12   1.916   0.210  -0.692
  114   1HZ   LYS  12          1HZ       LYS  12   3.088  -0.428  -3.341
  115   2HZ   LYS  12          2HZ       LYS  12   3.887   0.191  -1.985
  116   3HZ   LYS  12          3HZ       LYS  12   2.770   1.150  -2.817
  117    H    LEU  13           HN       LEU  13   2.733  -5.790   2.201
  118    HA   LEU  13           HA       LEU  13   1.253  -8.153   1.319
  119   1HB   LEU  13          2HB       LEU  13   3.250  -9.518   2.359
  120   2HB   LEU  13          3HB       LEU  13   3.237  -9.039   0.673
  121    HG   LEU  13           HG       LEU  13   4.453  -6.951   2.206
  122   1HD1  LEU  13          1HD1      LEU  13   6.204  -9.291   2.464
  123   2HD1  LEU  13          2HD1      LEU  13   5.950  -7.932   3.560
  124   3HD1  LEU  13          3HD1      LEU  13   4.815  -9.283   3.552
  125   1HD2  LEU  13          1HD2      LEU  13   4.812  -8.397  -0.212
  126   2HD2  LEU  13          2HD2      LEU  13   5.556  -6.876   0.283
  127   3HD2  LEU  13          3HD2      LEU  13   6.340  -8.409   0.668
  128    H    GLY  14           HN       GLY  14   0.672  -9.640   2.953
  129   1HA   GLY  14          1HA       GLY  14   0.503 -10.359   5.214
  130   2HA   GLY  14          2HA       GLY  14   1.051  -8.773   5.733
  131    H    LYS  15           HN       LYS  15  -1.646 -10.014   3.725
  132    HA   LYS  15           HA       LYS  15  -3.734  -8.945   3.500
  133   1HB   LYS  15          2HB       LYS  15  -3.858 -10.305   6.192
  134   2HB   LYS  15          3HB       LYS  15  -5.175 -10.063   5.058
  135   1HG   LYS  15          2HG       LYS  15  -4.214 -11.585   3.493
  136   2HG   LYS  15          3HG       LYS  15  -2.744 -11.720   4.460
  137   1HD   LYS  15          2HD       LYS  15  -3.642 -13.348   5.681
  138   2HD   LYS  15          3HD       LYS  15  -5.030 -12.334   6.079
  139   1HE   LYS  15          2HE       LYS  15  -6.332 -13.539   4.745
  140   2HE   LYS  15          3HE       LYS  15  -5.268 -13.216   3.376
  141   1HZ   LYS  15          1HZ       LYS  15  -4.136 -15.169   3.676
  142   2HZ   LYS  15          2HZ       LYS  15  -5.686 -15.641   4.164
  143   3HZ   LYS  15          3HZ       LYS  15  -4.509 -15.281   5.323
  144    H    CYS  16           HN       CYS  16  -3.309  -6.717   3.631
  145    HA   CYS  16           HA       CYS  16  -3.404  -4.610   4.468
  146   1HB   CYS  16          2HB       CYS  16  -5.787  -5.837   5.085
  147   2HB   CYS  16          3HB       CYS  16  -5.273  -5.210   6.648
  148    H    THR  17           HN       THR  17  -1.218  -5.547   5.244
  149    HA   THR  17           HA       THR  17  -0.876  -5.810   8.079
  150    HB   THR  17           HB       THR  17   0.626  -6.385   5.735
  151    HG1  THR  17           1HG      THR  17   1.445  -7.854   7.085
  152   1HG2  THR  17          1HG2      THR  17   2.311  -4.890   7.743
  153   2HG2  THR  17          2HG2      THR  17   1.747  -4.176   6.233
  154   3HG2  THR  17          3HG2      THR  17   2.816  -5.579   6.199
  155    H    THR  18           HN       THR  18   0.603  -4.438   9.324
  156    HA   THR  18           HA       THR  18  -0.136  -1.750   9.311
  157    HB   THR  18           HB       THR  18   2.067  -3.278  10.643
  158    HG1  THR  18           1HG      THR  18  -0.350  -2.086  11.301
  159   1HG2  THR  18          1HG2      THR  18   1.781  -0.304  11.009
  160   2HG2  THR  18          2HG2      THR  18   2.939  -1.000   9.874
  161   3HG2  THR  18          3HG2      THR  18   3.062  -1.364  11.597
  162    H    LEU  19           HN       LEU  19   3.007  -3.154   8.380
  163    HA   LEU  19           HA       LEU  19   4.256  -0.903   7.428
  164   1HB   LEU  19          2HB       LEU  19   4.842  -3.565   7.484
  165   2HB   LEU  19          3HB       LEU  19   4.658  -3.295   5.763
  166    HG   LEU  19           HG       LEU  19   7.010  -3.098   6.715
  167   1HD1  LEU  19          1HD1      LEU  19   5.613  -1.391   4.817
  168   2HD1  LEU  19          2HD1      LEU  19   7.079  -0.655   5.465
  169   3HD1  LEU  19          3HD1      LEU  19   7.160  -2.226   4.669
  170   1HD2  LEU  19          1HD2      LEU  19   7.484  -1.614   8.299
  171   2HD2  LEU  19          2HD2      LEU  19   6.698  -0.315   7.399
  172   3HD2  LEU  19          3HD2      LEU  19   5.749  -1.342   8.472
  173    H    GLU  20           HN       GLU  20   1.650  -2.667   6.013
  174    HA   GLU  20           HA       GLU  20   1.976  -1.569   3.386
  175   1HB   GLU  20          2HB       GLU  20   0.751  -3.435   3.050
  176   2HB   GLU  20          3HB       GLU  20   0.183  -3.464   4.711
  177   1HG   GLU  20          2HG       GLU  20  -1.757  -3.239   3.468
  178   2HG   GLU  20          3HG       GLU  20  -1.414  -1.592   3.991
  179    H    GLU  21           HN       GLU  21  -0.376  -1.009   6.029
  180    HA   GLU  21           HA       GLU  21  -1.698   1.144   4.784
  181   1HB   GLU  21          2HB       GLU  21  -2.714   1.565   6.855
  182   2HB   GLU  21          3HB       GLU  21  -2.375  -0.158   6.910
  183   1HG   GLU  21          2HG       GLU  21  -0.259   0.448   8.157
  184   2HG   GLU  21          3HG       GLU  21  -0.933   2.070   8.301
  185    H    GLU  22           HN       GLU  22   1.292   0.843   6.492
  186    HA   GLU  22           HA       GLU  22   1.767   3.609   6.953
  187   1HB   GLU  22          2HB       GLU  22   3.206   1.076   7.285
  188   2HB   GLU  22          3HB       GLU  22   4.248   2.418   6.842
  189   1HG   GLU  22          2HG       GLU  22   2.422   3.232   8.896
  190   2HG   GLU  22          3HG       GLU  22   3.273   1.765   9.379
  191    H    LYS  23           HN       LYS  23   2.834   1.266   4.488
  192    HA   LYS  23           HA       LYS  23   4.450   2.896   2.967
  193   1HB   LYS  23          2HB       LYS  23   4.173   0.492   2.532
  194   2HB   LYS  23          3HB       LYS  23   2.530   0.779   1.972
  195   1HG   LYS  23          2HG       LYS  23   3.292   1.137  -0.084
  196   2HG   LYS  23          3HG       LYS  23   4.312   2.455   0.509
  197   1HD   LYS  23          2HD       LYS  23   5.705   0.830  -0.559
  198   2HD   LYS  23          3HD       LYS  23   6.004   0.760   1.174
  199   1HE   LYS  23          2HE       LYS  23   4.366  -1.144   1.264
  200   2HE   LYS  23          3HE       LYS  23   4.373  -1.138  -0.499
  201   1HZ   LYS  23          1HZ       LYS  23   6.838  -1.439  -0.346
  202   2HZ   LYS  23          2HZ       LYS  23   5.929  -2.755   0.203
  203   3HZ   LYS  23          3HZ       LYS  23   6.651  -1.704   1.314
  204    H    CYS  24           HN       CYS  24   0.967   2.647   3.096
  205    HA   CYS  24           HA       CYS  24   0.377   4.250   0.858
  206   1HB   CYS  24          2HB       CYS  24  -1.294   3.862   3.342
  207   2HB   CYS  24          3HB       CYS  24  -1.868   4.341   1.746
  208    H    LYS  25           HN       LYS  25   0.605   5.067   4.319
  209    HA   LYS  25           HA       LYS  25   0.056   7.840   3.838
  210   1HB   LYS  25          2HB       LYS  25   0.536   6.126   6.168
  211   2HB   LYS  25          3HB       LYS  25   1.153   7.763   6.345
  212   1HG   LYS  25          2HG       LYS  25  -1.056   7.715   7.222
  213   2HG   LYS  25          3HG       LYS  25  -1.102   8.608   5.700
  214   1HD   LYS  25          2HD       LYS  25  -1.583   5.710   5.486
  215   2HD   LYS  25          3HD       LYS  25  -2.822   6.622   6.351
  216   1HE   LYS  25          2HE       LYS  25  -1.798   7.197   3.571
  217   2HE   LYS  25          3HE       LYS  25  -3.349   6.463   3.976
  218   1HZ   LYS  25          1HZ       LYS  25  -3.911   8.654   3.663
  219   2HZ   LYS  25          2HZ       LYS  25  -2.471   9.249   4.320
  220   3HZ   LYS  25          3HZ       LYS  25  -3.668   8.624   5.338
  221    H    THR  26           HN       THR  26   2.959   6.325   5.264
  222    HA   THR  26           HA       THR  26   4.647   8.465   5.184
  223    HB   THR  26           HB       THR  26   6.534   6.806   4.944
  224    HG1  THR  26           1HG      THR  26   6.083   4.749   4.529
  225   1HG2  THR  26          1HG2      THR  26   6.067   5.701   7.101
  226   2HG2  THR  26          2HG2      THR  26   4.387   6.228   6.988
  227   3HG2  THR  26          3HG2      THR  26   5.678   7.421   7.132
  228    H    LEU  27           HN       LEU  27   3.987   6.230   2.492
  229    HA   LEU  27           HA       LEU  27   5.916   7.498   0.771
  230   1HB   LEU  27          2HB       LEU  27   3.743   5.489   0.249
  231   2HB   LEU  27          3HB       LEU  27   4.763   6.129  -1.015
  232    HG   LEU  27           HG       LEU  27   5.361   3.858  -0.094
  233   1HD1  LEU  27          1HD1      LEU  27   7.379   4.198  -0.930
  234   2HD1  LEU  27          2HD1      LEU  27   6.877   5.879  -1.130
  235   3HD1  LEU  27          3HD1      LEU  27   7.789   5.395   0.301
  236   1HD2  LEU  27          1HD2      LEU  27   5.036   4.453   2.290
  237   2HD2  LEU  27          2HD2      LEU  27   6.603   3.718   1.946
  238   3HD2  LEU  27          3HD2      LEU  27   6.481   5.460   2.193
  239    H    TYR  28           HN       TYR  28   2.401   7.546   1.140
  240    HA   TYR  28           HA       TYR  28   2.322   9.820  -0.737
  241   1HB   TYR  28          2HB       TYR  28  -0.019   7.996  -0.383
  242   2HB   TYR  28          3HB       TYR  28   0.464   8.936  -1.794
  243    HD1  TYR  28           1HD      TYR  28   2.573   8.145  -3.072
  244    HD2  TYR  28           2HD      TYR  28   0.535   5.745  -0.215
  245    HE1  TYR  28           1HE      TYR  28   3.624   6.132  -4.014
  246    HE2  TYR  28           2HE      TYR  28   1.581   3.732  -1.143
  247    HH   TYR  28           HH       TYR  28   3.407   3.050  -2.448
  248    HA   PRO  29           HA       PRO  29   0.279  11.695   2.801
  249   1HB   PRO  29          2HB       PRO  29   0.471  14.235   1.998
  250   2HB   PRO  29          3HB       PRO  29   1.901  13.335   2.517
  251   1HG   PRO  29          2HG       PRO  29   0.998  14.039  -0.234
  252   2HG   PRO  29          3HG       PRO  29   2.642  13.931   0.417
  253   1HD   PRO  29          2HD       PRO  29   1.320  11.968  -1.095
  254   2HD   PRO  29          3HD       PRO  29   2.807  11.739  -0.155
  255    H    ARG  30           HN       ARG  30  -1.387  10.407   1.001
  256    HA   ARG  30           HA       ARG  30  -3.291  12.314  -0.069
  257   1HB   ARG  30          2HB       ARG  30  -2.576   9.626  -0.615
  258   2HB   ARG  30          3HB       ARG  30  -4.267   9.616  -0.124
  259   1HG   ARG  30          2HG       ARG  30  -3.191  11.477  -2.232
  260   2HG   ARG  30          3HG       ARG  30  -3.811   9.865  -2.595
  261   1HD   ARG  30          2HD       ARG  30  -5.934  10.532  -2.408
  262   2HD   ARG  30          3HD       ARG  30  -5.612  11.401  -0.908
  263    HE   ARG  30           HE       ARG  30  -4.677  12.717  -3.305
  264   1HH1  ARG  30          2HH1      ARG  30  -7.295  12.325  -1.041
  265   2HH1  ARG  30          1HH1      ARG  30  -8.024  13.849  -1.422
  266   1HH2  ARG  30          2HH2      ARG  30  -5.628  14.728  -3.811
  267   2HH2  ARG  30          1HH2      ARG  30  -7.077  15.215  -2.996
  268    H    GLY  31           HN       GLY  31  -5.569  12.160   0.375
  269   1HA   GLY  31          1HA       GLY  31  -6.084  11.672   3.228
  270   2HA   GLY  31          2HA       GLY  31  -7.050  12.696   2.169
  271    H    GLN  32           HN       GLN  32  -6.617  10.411   0.134
  272    HA   GLN  32           HA       GLN  32  -8.784   8.685   1.131
  273   1HB   GLN  32          2HB       GLN  32  -8.313   8.991  -1.802
  274   2HB   GLN  32          3HB       GLN  32  -9.811   8.685  -0.931
  275   1HG   GLN  32          2HG       GLN  32  -8.395  11.326  -0.795
  276   2HG   GLN  32          3HG       GLN  32  -9.565  10.941  -2.057
  277   1HE2  GLN  32          1HE2      GLN  32  -9.211  12.413   0.830
  278   2HE2  GLN  32          2HE2      GLN  32 -10.831  12.313   1.421
  279    H    CYS  33           HN       CYS  33  -5.770   8.482   1.218
  280    HA   CYS  33           HA       CYS  33  -5.365   6.051  -0.373
  281   1HB   CYS  33          2HB       CYS  33  -3.639   7.877  -0.445
  282   2HB   CYS  33          3HB       CYS  33  -3.318   7.567   1.256
  283    H    THR  34           HN       THR  34  -4.708   4.110   0.574
  284    HA   THR  34           HA       THR  34  -4.216   3.725   3.303
  285    HB   THR  34           HB       THR  34  -6.640   4.492   3.332
  286    HG1  THR  34           1HG      THR  34  -5.363   2.618   4.728
  287   1HG2  THR  34          1HG2      THR  34  -7.394   1.687   2.642
  288   2HG2  THR  34          2HG2      THR  34  -7.108   2.832   1.331
  289   3HG2  THR  34          3HG2      THR  34  -8.344   3.169   2.542
  290    H    CYS  35           HN       CYS  35  -5.439   1.181   3.662
  291    HA   CYS  35           HA       CYS  35  -3.848  -0.346   1.745
  292   1HB   CYS  35          2HB       CYS  35  -3.262  -1.095   3.844
  293   2HB   CYS  35          3HB       CYS  35  -4.875  -0.840   4.502
  294    H    SER  36           HN       SER  36  -4.665  -1.639   0.260
  295    HA   SER  36           HA       SER  36  -7.493  -2.407   0.398
  296   1HB   SER  36          2HB       SER  36  -7.418  -0.516  -1.115
  297   2HB   SER  36          3HB       SER  36  -6.074  -1.231  -2.005
  298    HG   SER  36           HG       SER  36  -8.271  -2.861  -1.810
  299    H    ASP  37           HN       ASP  37  -7.897  -4.460  -0.131
  300    HA   ASP  37           HA       ASP  37  -5.918  -6.007  -1.625
  301   1HB   ASP  37          2HB       ASP  37  -5.438  -6.254   0.828
  302   2HB   ASP  37          3HB       ASP  37  -7.042  -6.957   1.017
  303    H    SER  38           HN       SER  38  -6.767  -8.088  -2.368
  304    HA   SER  38           HA       SER  38  -9.653  -7.906  -2.865
  305   1HB   SER  38          2HB       SER  38  -7.341  -8.846  -4.429
  306   2HB   SER  38          3HB       SER  38  -8.763  -9.883  -4.535
  307    HG   SER  38           HG       SER  38  -8.342  -7.658  -5.834
  308    H    LYS  39           HN       LYS  39  -7.408 -10.664  -2.756
  309    HA   LYS  39           HA       LYS  39  -8.585 -11.844  -0.457
  310   1HB   LYS  39          2HB       LYS  39 -10.223 -12.144  -2.561
  311   2HB   LYS  39          3HB       LYS  39  -9.167 -13.523  -2.839
  312   1HG   LYS  39          2HG       LYS  39  -9.631 -14.199  -0.451
  313   2HG   LYS  39          3HG       LYS  39 -10.893 -12.967  -0.445
  314   1HD   LYS  39          2HD       LYS  39 -11.735 -14.142  -2.584
  315   2HD   LYS  39          3HD       LYS  39 -10.722 -15.488  -2.058
  316   1HE   LYS  39          2HE       LYS  39 -12.032 -14.923   0.238
  317   2HE   LYS  39          3HE       LYS  39 -13.253 -14.468  -0.949
  318   1HZ   LYS  39          1HZ       LYS  39 -13.745 -16.645  -0.838
  319   2HZ   LYS  39          2HZ       LYS  39 -12.215 -17.092  -0.272
  320   3HZ   LYS  39          3HZ       LYS  39 -12.458 -16.815  -1.923
  321    H    MET  40           HN       MET  40  -6.030 -11.391  -0.801
  322    HA   MET  40           HA       MET  40  -4.886 -14.052  -1.007
  323   1HB   MET  40          2HB       MET  40  -4.367 -11.880  -2.947
  324   2HB   MET  40          3HB       MET  40  -2.947 -12.726  -2.352
  325   1HG   MET  40          2HG       MET  40  -4.962 -14.628  -3.043
  326   2HG   MET  40          3HG       MET  40  -4.716 -13.515  -4.387
  327   1HE   MET  40          1HE       MET  40  -3.758 -14.701  -6.111
  328   2HE   MET  40          2HE       MET  40  -2.410 -13.574  -5.949
  329   3HE   MET  40          3HE       MET  40  -2.098 -15.294  -6.181
  330    H    ASN  41           HN       ASN  41  -2.242 -13.495  -0.794
  331    HA   ASN  41           HA       ASN  41  -2.100 -12.375   1.881
  332   1HB   ASN  41          2HB       ASN  41  -0.973 -14.520   1.314
  333   2HB   ASN  41          3HB       ASN  41   0.082 -13.642   0.211
  334   1HD2  ASN  41          1HD2      ASN  41  -1.083 -13.170   3.532
  335   2HD2  ASN  41          2HD2      ASN  41   0.477 -12.892   4.219
  336    H    THR  42           HN       THR  42  -1.330 -11.452  -1.363
  337    HA   THR  42           HA       THR  42   0.259  -9.191  -0.360
  338    HB   THR  42           HB       THR  42   0.483  -9.003  -3.070
  339    HG1  THR  42           1HG      THR  42  -0.446 -10.927  -3.609
  340   1HG2  THR  42          1HG2      THR  42   2.110  -9.895  -0.841
  341   2HG2  THR  42          2HG2      THR  42   2.557  -8.920  -2.242
  342   3HG2  THR  42          3HG2      THR  42   2.576 -10.681  -2.349
  343    H    HIS  43           HN       HIS  43  -0.267  -7.136  -0.784
  344    HA   HIS  43           HA       HIS  43  -2.555  -6.426  -2.437
  345   1HB   HIS  43          2HB       HIS  43  -3.361  -5.019  -0.371
  346   2HB   HIS  43          3HB       HIS  43  -3.806  -6.720  -0.471
  347    HD1  HIS  43           1HD      HIS  43  -1.915  -8.312   0.779
  348    HD2  HIS  43           2HD      HIS  43  -2.295  -4.377   2.035
  349    HE1  HIS  43           1HE      HIS  43  -0.860  -8.215   3.035
  350    HE2  HIS  43           2HE      HIS  43  -0.982  -5.806   3.729
  351    H    SER  44           HN       SER  44  -2.850  -3.818  -1.855
  352    HA   SER  44           HA       SER  44  -0.307  -2.582  -1.332
  353   1HB   SER  44          2HB       SER  44  -0.175  -1.343  -3.477
  354   2HB   SER  44          3HB       SER  44   0.070  -3.084  -3.663
  355    HG   SER  44           HG       SER  44  -2.491  -1.932  -3.983
  356    H    CYS  45           HN       CYS  45  -0.930  -0.042  -2.509
  357    HA   CYS  45           HA       CYS  45  -3.059   0.749  -0.656
  358   1HB   CYS  45          2HB       CYS  45  -1.000   2.463  -2.062
  359   2HB   CYS  45          3HB       CYS  45  -2.143   3.012  -0.839
  360    H    ASP  46           HN       ASP  46  -4.239   2.853  -1.459
  361    HA   ASP  46           HA       ASP  46  -4.829   2.797  -4.303
  362   1HB   ASP  46          2HB       ASP  46  -6.304   1.085  -2.985
  363   2HB   ASP  46          3HB       ASP  46  -7.170   2.521  -2.448
  364    H    CYS  47           HN       CYS  47  -3.602   4.831  -3.059
  365    HA   CYS  47           HA       CYS  47  -5.257   6.809  -1.932
  366   1HB   CYS  47          2HB       CYS  47  -3.012   7.727  -3.618
  367   2HB   CYS  47          3HB       CYS  47  -3.408   8.137  -1.953
  368    H    LYS  48           HN       LYS  48  -4.763   5.721  -5.141
  369    HA   LYS  48           HA       LYS  48  -6.540   7.846  -6.138
  370   1HB   LYS  48          2HB       LYS  48  -4.107   8.038  -6.877
  371   2HB   LYS  48          3HB       LYS  48  -4.366   6.553  -7.783
  372   1HG   LYS  48          2HG       LYS  48  -6.479   8.292  -8.451
  373   2HG   LYS  48          3HG       LYS  48  -4.990   9.238  -8.511
  374   1HD   LYS  48          2HD       LYS  48  -4.367   8.247 -10.405
  375   2HD   LYS  48          3HD       LYS  48  -4.598   6.644  -9.704
  376   1HE   LYS  48          2HE       LYS  48  -6.987   6.768 -10.214
  377   2HE   LYS  48          3HE       LYS  48  -6.758   8.371 -10.910
  378   1HZ   LYS  48          1HZ       LYS  48  -6.834   6.416 -12.499
  379   2HZ   LYS  48          2HZ       LYS  48  -5.295   6.011 -11.927
  380   3HZ   LYS  48          3HZ       LYS  48  -5.548   7.499 -12.690
  381    H    SER  49           HN       SER  49  -8.072   7.256  -7.594
  382    HA   SER  49           HA       SER  49  -9.191   4.716  -7.405
  383   1HB   SER  49          2HB       SER  49 -10.093   7.051  -8.330
  384   2HB   SER  49          3HB       SER  49  -9.704   6.299  -9.877
  385    HG   SER  49           HG       SER  49 -11.796   5.752  -9.379
  386    H    CYS  50           HN       CYS  50  -7.494   3.219  -7.783
  387    HA   CYS  50           HA       CYS  50  -6.534   3.012 -10.546
  388   1HB   CYS  50          2HB       CYS  50  -5.587   1.547  -8.073
  389   2HB   CYS  50          3HB       CYS  50  -4.843   1.479  -9.667
  Start of MODEL   11
    1   1H    ASN   1          1H        ASN   1   0.443  20.023  -6.307
    2   2H    ASN   1          2H        ASN   1  -0.552  19.988  -4.939
    3   3H    ASN   1          3H        ASN   1  -1.239  20.023  -6.484
    4    HA   ASN   1           HA       ASN   1   0.289  17.845  -6.680
    5   1HB   ASN   1          2HB       ASN   1   0.306  18.471  -3.971
    6   2HB   ASN   1          3HB       ASN   1  -0.917  17.209  -4.099
    7   1HD2  ASN   1          1HD2      ASN   1  -0.070  15.487  -5.861
    8   2HD2  ASN   1          2HD2      ASN   1   1.481  14.840  -5.460
    9    H    LEU   2           HN       LEU   2  -1.144  17.217  -8.196
   10    HA   LEU   2           HA       LEU   2  -3.930  16.767  -7.349
   11   1HB   LEU   2          2HB       LEU   2  -3.403  16.735 -10.228
   12   2HB   LEU   2          3HB       LEU   2  -4.676  17.534  -9.326
   13    HG   LEU   2           HG       LEU   2  -2.064  18.796  -8.971
   14   1HD1  LEU   2          1HD1      LEU   2  -3.287  19.146 -11.676
   15   2HD1  LEU   2          2HD1      LEU   2  -1.671  19.572 -11.114
   16   3HD1  LEU   2          3HD1      LEU   2  -2.092  17.882 -11.389
   17   1HD2  LEU   2          1HD2      LEU   2  -4.888  19.485  -9.208
   18   2HD2  LEU   2          2HD2      LEU   2  -3.596  20.283  -8.311
   19   3HD2  LEU   2          3HD2      LEU   2  -3.817  20.623 -10.027
   20    H    MET   3           HN       MET   3  -1.148  15.157  -7.750
   21    HA   MET   3           HA       MET   3  -2.494  12.734  -8.755
   22   1HB   MET   3          2HB       MET   3  -0.580  13.741 -10.148
   23   2HB   MET   3          3HB       MET   3   0.480  13.177  -8.865
   24   1HG   MET   3          2HG       MET   3  -1.003  10.949  -9.402
   25   2HG   MET   3          3HG       MET   3  -0.852  11.692 -10.993
   26   1HE   MET   3          1HE       MET   3   1.466   9.971 -12.293
   27   2HE   MET   3          2HE       MET   3   1.474   8.769 -11.003
   28   3HE   MET   3          3HE       MET   3  -0.044   9.515 -11.502
   29    H    LYS   4           HN       LYS   4  -2.158  10.802  -7.670
   30    HA   LYS   4           HA       LYS   4  -0.803  11.034  -5.060
   31   1HB   LYS   4          2HB       LYS   4  -2.971   9.031  -5.417
   32   2HB   LYS   4          3HB       LYS   4  -2.512   9.948  -3.989
   33   1HG   LYS   4          2HG       LYS   4  -4.432  11.035  -4.408
   34   2HG   LYS   4          3HG       LYS   4  -3.429  11.941  -5.543
   35   1HD   LYS   4          2HD       LYS   4  -4.454  11.057  -7.338
   36   2HD   LYS   4          3HD       LYS   4  -4.527   9.446  -6.621
   37   1HE   LYS   4          2HE       LYS   4  -6.531   9.881  -5.539
   38   2HE   LYS   4          3HE       LYS   4  -6.300  11.628  -5.599
   39   1HZ   LYS   4          1HZ       LYS   4  -6.746  11.608  -7.944
   40   2HZ   LYS   4          2HZ       LYS   4  -8.015  10.824  -7.146
   41   3HZ   LYS   4          3HZ       LYS   4  -6.846   9.919  -7.966
   42    H    ARG   5           HN       ARG   5  -1.516   9.014  -7.835
   43    HA   ARG   5           HA       ARG   5  -0.551   7.135  -8.674
   44   1HB   ARG   5          2HB       ARG   5   1.439   8.704  -8.479
   45   2HB   ARG   5          3HB       ARG   5   1.856   7.847  -7.002
   46   1HG   ARG   5          2HG       ARG   5   2.268   5.838  -8.163
   47   2HG   ARG   5          3HG       ARG   5   1.503   6.445  -9.633
   48   1HD   ARG   5          2HD       ARG   5   3.567   8.252  -8.933
   49   2HD   ARG   5          3HD       ARG   5   4.233   6.623  -8.828
   50    HE   ARG   5           HE       ARG   5   2.967   6.575 -11.198
   51   1HH1  ARG   5          2HH1      ARG   5   5.230   8.824  -9.796
   52   2HH1  ARG   5          1HH1      ARG   5   5.897   9.301 -11.321
   53   1HH2  ARG   5          2HH2      ARG   5   3.840   7.197 -13.209
   54   2HH2  ARG   5          1HH2      ARG   5   5.107   8.377 -13.260
   55    H    CYS   6           HN       CYS   6  -2.138   5.959  -7.317
   56    HA   CYS   6           HA       CYS   6  -1.639   4.899  -4.807
   57   1HB   CYS   6          2HB       CYS   6  -3.444   3.503  -5.175
   58   2HB   CYS   6          3HB       CYS   6  -3.730   4.733  -6.399
   59    H    THR   7           HN       THR   7  -0.480   3.207  -4.003
   60    HA   THR   7           HA       THR   7   1.114   1.603  -3.856
   61    HB   THR   7           HB       THR   7   0.907  -0.267  -5.157
   62    HG1  THR   7           1HG      THR   7  -0.007   0.405  -7.523
   63   1HG2  THR   7          1HG2      THR   7  -1.306  -0.068  -4.511
   64   2HG2  THR   7          2HG2      THR   7  -1.456  -0.220  -6.262
   65   3HG2  THR   7          3HG2      THR   7  -1.576   1.367  -5.502
   66    H    ARG   8           HN       ARG   8   3.260   1.172  -4.331
   67    HA   ARG   8           HA       ARG   8   4.515   3.071  -6.181
   68   1HB   ARG   8          2HB       ARG   8   5.138   2.278  -3.558
   69   2HB   ARG   8          3HB       ARG   8   6.362   1.523  -4.571
   70   1HG   ARG   8          2HG       ARG   8   7.441   3.463  -4.395
   71   2HG   ARG   8          3HG       ARG   8   6.274   4.059  -5.576
   72   1HD   ARG   8          2HD       ARG   8   4.835   4.414  -3.363
   73   2HD   ARG   8          3HD       ARG   8   6.441   4.535  -2.656
   74    HE   ARG   8           HE       ARG   8   5.201   6.395  -4.503
   75   1HH1  ARG   8          2HH1      ARG   8   8.115   5.351  -2.901
   76   2HH1  ARG   8          1HH1      ARG   8   8.926   6.867  -3.113
   77   1HH2  ARG   8          2HH2      ARG   8   6.262   8.392  -4.786
   78   2HH2  ARG   8          1HH2      ARG   8   7.873   8.594  -4.184
   79    H    GLY   9           HN       GLY   9   3.143   0.774  -7.098
   80   1HA   GLY   9          1HA       GLY   9   3.943  -0.359  -9.138
   81   2HA   GLY   9          2HA       GLY   9   5.373  -0.807  -8.212
   82    H    PHE  10           HN       PHE  10   2.431  -0.823  -6.490
   83    HA   PHE  10           HA       PHE  10   1.200  -2.474  -5.524
   84   1HB   PHE  10          2HB       PHE  10   0.391  -2.875  -7.779
   85   2HB   PHE  10          3HB       PHE  10   1.816  -3.838  -8.147
   86    HD1  PHE  10           1HD      PHE  10  -0.805  -3.789  -5.487
   87    HD2  PHE  10           2HD      PHE  10   1.441  -6.084  -8.276
   88    HE1  PHE  10           1HE      PHE  10  -1.992  -5.820  -4.763
   89    HE2  PHE  10           2HE      PHE  10   0.259  -8.120  -7.561
   90    HZ   PHE  10           HZ       PHE  10  -1.460  -7.990  -5.802
   91    H    ARG  11           HN       ARG  11   2.776  -2.816  -3.856
   92    HA   ARG  11           HA       ARG  11   3.791  -5.489  -3.897
   93   1HB   ARG  11          2HB       ARG  11   6.153  -4.874  -3.454
   94   2HB   ARG  11          3HB       ARG  11   5.608  -4.443  -5.066
   95   1HG   ARG  11          2HG       ARG  11   6.224  -2.346  -4.730
   96   2HG   ARG  11          3HG       ARG  11   5.139  -2.228  -3.342
   97   1HD   ARG  11          2HD       ARG  11   6.899  -2.126  -1.999
   98   2HD   ARG  11          3HD       ARG  11   7.366  -3.744  -2.523
   99    HE   ARG  11           HE       ARG  11   8.537  -2.498  -4.413
  100   1HH1  ARG  11          2HH1      ARG  11   8.085  -1.177  -1.220
  101   2HH1  ARG  11          1HH1      ARG  11   9.500  -0.180  -1.293
  102   1HH2  ARG  11          2HH2      ARG  11  10.401  -1.187  -4.517
  103   2HH2  ARG  11          1HH2      ARG  11  10.817  -0.187  -3.165
  104    H    LYS  12           HN       LYS  12   1.973  -4.791  -2.171
  105    HA   LYS  12           HA       LYS  12   3.402  -4.332   0.367
  106   1HB   LYS  12          2HB       LYS  12   0.491  -3.833  -0.329
  107   2HB   LYS  12          3HB       LYS  12   1.141  -3.728   1.298
  108   1HG   LYS  12          2HG       LYS  12   0.886  -1.525   0.249
  109   2HG   LYS  12          3HG       LYS  12   2.566  -1.879   0.647
  110   1HD   LYS  12          2HD       LYS  12   3.148  -2.193  -1.591
  111   2HD   LYS  12          3HD       LYS  12   1.471  -2.429  -2.089
  112   1HE   LYS  12          2HE       LYS  12   1.181  -0.247  -2.434
  113   2HE   LYS  12          3HE       LYS  12   1.871   0.162  -0.865
  114   1HZ   LYS  12          1HZ       LYS  12   3.291   1.146  -2.402
  115   2HZ   LYS  12          2HZ       LYS  12   3.259  -0.182  -3.449
  116   3HZ   LYS  12          3HZ       LYS  12   4.099  -0.280  -1.986
  117    H    LEU  13           HN       LEU  13   2.799  -5.809   2.158
  118    HA   LEU  13           HA       LEU  13   1.242  -8.149   1.347
  119   1HB   LEU  13          2HB       LEU  13   3.210  -9.580   2.263
  120   2HB   LEU  13          3HB       LEU  13   3.235  -8.998   0.609
  121    HG   LEU  13           HG       LEU  13   4.486  -7.008   2.179
  122   1HD1  LEU  13          1HD1      LEU  13   4.985  -8.388   3.973
  123   2HD1  LEU  13          2HD1      LEU  13   5.218  -9.807   2.952
  124   3HD1  LEU  13          3HD1      LEU  13   6.426  -8.522   2.965
  125   1HD2  LEU  13          1HD2      LEU  13   5.847  -9.059   0.449
  126   2HD2  LEU  13          2HD2      LEU  13   4.875  -7.745  -0.214
  127   3HD2  LEU  13          3HD2      LEU  13   6.316  -7.384   0.737
  128    H    GLY  14           HN       GLY  14   0.662  -9.593   3.010
  129   1HA   GLY  14          1HA       GLY  14   0.652 -10.291   5.302
  130   2HA   GLY  14          2HA       GLY  14   1.134  -8.666   5.763
  131    H    LYS  15           HN       LYS  15  -1.510  -9.807   3.661
  132    HA   LYS  15           HA       LYS  15  -3.668  -8.932   3.555
  133   1HB   LYS  15          2HB       LYS  15  -3.221 -10.864   5.655
  134   2HB   LYS  15          3HB       LYS  15  -4.573  -9.815   6.063
  135   1HG   LYS  15          2HG       LYS  15  -5.432 -10.329   3.709
  136   2HG   LYS  15          3HG       LYS  15  -4.251 -11.639   3.712
  137   1HD   LYS  15          2HD       LYS  15  -6.181 -12.679   4.485
  138   2HD   LYS  15          3HD       LYS  15  -5.320 -12.287   5.975
  139   1HE   LYS  15          2HE       LYS  15  -6.697 -10.109   5.939
  140   2HE   LYS  15          3HE       LYS  15  -7.724 -10.952   4.779
  141   1HZ   LYS  15          1HZ       LYS  15  -8.482 -12.388   6.350
  142   2HZ   LYS  15          2HZ       LYS  15  -8.184 -11.055   7.347
  143   3HZ   LYS  15          3HZ       LYS  15  -7.068 -12.324   7.279
  144    H    CYS  16           HN       CYS  16  -3.227  -6.670   3.646
  145    HA   CYS  16           HA       CYS  16  -3.363  -4.557   4.459
  146   1HB   CYS  16          2HB       CYS  16  -5.719  -5.790   5.098
  147   2HB   CYS  16          3HB       CYS  16  -5.188  -5.211   6.675
  148    H    THR  17           HN       THR  17  -1.175  -5.714   5.276
  149    HA   THR  17           HA       THR  17  -0.802  -5.829   8.094
  150    HB   THR  17           HB       THR  17   0.751  -6.307   5.694
  151    HG1  THR  17           1HG      THR  17   1.915  -7.575   7.482
  152   1HG2  THR  17          1HG2      THR  17   2.983  -5.872   6.866
  153   2HG2  THR  17          2HG2      THR  17   2.088  -4.772   7.913
  154   3HG2  THR  17          3HG2      THR  17   2.153  -4.477   6.176
  155    H    THR  18           HN       THR  18   0.517  -4.397   9.370
  156    HA   THR  18           HA       THR  18  -0.167  -1.716   9.217
  157    HB   THR  18           HB       THR  18   2.038  -3.163  10.648
  158    HG1  THR  18           1HG      THR  18   0.719  -1.911  12.373
  159   1HG2  THR  18          1HG2      THR  18   2.962  -1.208  11.547
  160   2HG2  THR  18          2HG2      THR  18   1.617  -0.209  10.997
  161   3HG2  THR  18          3HG2      THR  18   2.786  -0.834   9.831
  162    H    LEU  19           HN       LEU  19   2.935  -3.228   8.324
  163    HA   LEU  19           HA       LEU  19   4.266  -1.016   7.370
  164   1HB   LEU  19          2HB       LEU  19   4.740  -3.722   7.426
  165   2HB   LEU  19          3HB       LEU  19   4.637  -3.401   5.707
  166    HG   LEU  19           HG       LEU  19   6.952  -3.319   6.761
  167   1HD1  LEU  19          1HD1      LEU  19   7.026  -2.466   4.663
  168   2HD1  LEU  19          2HD1      LEU  19   5.719  -1.321   4.960
  169   3HD1  LEU  19          3HD1      LEU  19   7.344  -0.978   5.555
  170   1HD2  LEU  19          1HD2      LEU  19   6.162  -2.013   8.757
  171   2HD2  LEU  19          2HD2      LEU  19   7.602  -1.375   7.962
  172   3HD2  LEU  19          3HD2      LEU  19   6.034  -0.611   7.696
  173    H    GLU  20           HN       GLU  20   1.612  -2.715   5.962
  174    HA   GLU  20           HA       GLU  20   1.991  -1.611   3.341
  175   1HB   GLU  20          2HB       GLU  20   0.653  -3.322   2.811
  176   2HB   GLU  20          3HB       GLU  20   0.365  -3.646   4.513
  177   1HG   GLU  20          2HG       GLU  20  -1.766  -3.350   3.747
  178   2HG   GLU  20          3HG       GLU  20  -1.379  -1.719   4.294
  179    H    GLU  21           HN       GLU  21  -0.321  -1.050   6.007
  180    HA   GLU  21           HA       GLU  21  -1.654   1.114   4.763
  181   1HB   GLU  21          2HB       GLU  21  -2.677   1.513   6.850
  182   2HB   GLU  21          3HB       GLU  21  -2.392  -0.220   6.826
  183   1HG   GLU  21          2HG       GLU  21  -0.707  -0.103   8.392
  184   2HG   GLU  21          3HG       GLU  21  -0.393   1.602   8.079
  185    H    GLU  22           HN       GLU  22   1.344   0.738   6.381
  186    HA   GLU  22           HA       GLU  22   1.839   3.494   6.951
  187   1HB   GLU  22          2HB       GLU  22   3.253   0.925   7.216
  188   2HB   GLU  22          3HB       GLU  22   4.298   2.295   6.878
  189   1HG   GLU  22          2HG       GLU  22   2.468   3.076   8.894
  190   2HG   GLU  22          3HG       GLU  22   3.141   1.509   9.340
  191    H    LYS  23           HN       LYS  23   2.804   1.176   4.437
  192    HA   LYS  23           HA       LYS  23   4.494   2.813   2.964
  193   1HB   LYS  23          2HB       LYS  23   4.265   0.437   2.469
  194   2HB   LYS  23          3HB       LYS  23   2.595   0.675   1.976
  195   1HG   LYS  23          2HG       LYS  23   3.259   1.091  -0.103
  196   2HG   LYS  23          3HG       LYS  23   4.273   2.421   0.470
  197   1HD   LYS  23          2HD       LYS  23   5.636   0.824  -0.695
  198   2HD   LYS  23          3HD       LYS  23   6.043   0.780   1.015
  199   1HE   LYS  23          2HE       LYS  23   3.931  -1.078   0.441
  200   2HE   LYS  23          3HE       LYS  23   5.298  -1.365  -0.636
  201   1HZ   LYS  23          1HZ       LYS  23   5.140  -1.618   2.276
  202   2HZ   LYS  23          2HZ       LYS  23   6.617  -1.138   1.606
  203   3HZ   LYS  23          3HZ       LYS  23   5.918  -2.608   1.147
  204    H    CYS  24           HN       CYS  24   1.005   2.586   3.065
  205    HA   CYS  24           HA       CYS  24   0.537   4.264   0.831
  206   1HB   CYS  24          2HB       CYS  24  -1.330   3.641   3.116
  207   2HB   CYS  24          3HB       CYS  24  -1.771   4.177   1.496
  208    H    LYS  25           HN       LYS  25   0.769   4.841   4.311
  209    HA   LYS  25           HA       LYS  25  -0.048   7.587   4.091
  210   1HB   LYS  25          2HB       LYS  25   0.722   5.741   6.245
  211   2HB   LYS  25          3HB       LYS  25   1.176   7.416   6.525
  212   1HG   LYS  25          2HG       LYS  25  -0.987   6.948   7.499
  213   2HG   LYS  25          3HG       LYS  25  -1.147   8.103   6.175
  214   1HD   LYS  25          2HD       LYS  25  -1.426   5.270   5.419
  215   2HD   LYS  25          3HD       LYS  25  -2.695   5.899   6.474
  216   1HE   LYS  25          2HE       LYS  25  -1.812   7.221   3.910
  217   2HE   LYS  25          3HE       LYS  25  -3.178   6.109   4.030
  218   1HZ   LYS  25          1HZ       LYS  25  -4.094   8.239   4.194
  219   2HZ   LYS  25          2HZ       LYS  25  -2.891   8.791   5.247
  220   3HZ   LYS  25          3HZ       LYS  25  -4.049   7.685   5.793
  221    H    THR  26           HN       THR  26   3.031   6.165   5.190
  222    HA   THR  26           HA       THR  26   4.525   8.491   5.143
  223    HB   THR  26           HB       THR  26   6.531   7.006   4.948
  224    HG1  THR  26           1HG      THR  26   4.685   5.307   3.986
  225   1HG2  THR  26          1HG2      THR  26   5.322   5.498   6.986
  226   2HG2  THR  26          2HG2      THR  26   4.519   7.068   6.998
  227   3HG2  THR  26          3HG2      THR  26   6.273   6.973   7.161
  228    H    LEU  27           HN       LEU  27   3.901   6.230   2.468
  229    HA   LEU  27           HA       LEU  27   5.767   7.557   0.719
  230   1HB   LEU  27          2HB       LEU  27   3.631   5.506   0.206
  231   2HB   LEU  27          3HB       LEU  27   4.627   6.177  -1.060
  232    HG   LEU  27           HG       LEU  27   5.267   3.905  -0.158
  233   1HD1  LEU  27          1HD1      LEU  27   6.696   5.797  -1.345
  234   2HD1  LEU  27          2HD1      LEU  27   7.611   5.656   0.158
  235   3HD1  LEU  27          3HD1      LEU  27   7.368   4.236  -0.863
  236   1HD2  LEU  27          1HD2      LEU  27   6.287   5.559   2.140
  237   2HD2  LEU  27          2HD2      LEU  27   5.000   4.354   2.212
  238   3HD2  LEU  27          3HD2      LEU  27   6.654   3.858   1.848
  239    H    TYR  28           HN       TYR  28   2.261   7.531   1.180
  240    HA   TYR  28           HA       TYR  28   2.092   9.816  -0.678
  241   1HB   TYR  28          2HB       TYR  28  -0.197   7.932  -0.299
  242   2HB   TYR  28          3HB       TYR  28   0.234   8.900  -1.707
  243    HD1  TYR  28           1HD      TYR  28   0.395   5.686  -0.185
  244    HD2  TYR  28           2HD      TYR  28   2.345   8.169  -3.033
  245    HE1  TYR  28           1HE      TYR  28   1.464   3.709  -1.162
  246    HE2  TYR  28           2HE      TYR  28   3.409   6.193  -4.030
  247    HH   TYR  28           HH       TYR  28   2.845   2.942  -2.703
  248    HA   PRO  29           HA       PRO  29   0.122  11.566   2.984
  249   1HB   PRO  29          2HB       PRO  29   0.375  14.134   2.319
  250   2HB   PRO  29          3HB       PRO  29   1.792  13.176   2.767
  251   1HG   PRO  29          2HG       PRO  29   0.836  13.996   0.057
  252   2HG   PRO  29          3HG       PRO  29   2.492  13.918   0.687
  253   1HD   PRO  29          2HD       PRO  29   1.274  11.974  -0.891
  254   2HD   PRO  29          3HD       PRO  29   2.708  11.722   0.124
  255    H    ARG  30           HN       ARG  30  -1.599  10.396   1.184
  256    HA   ARG  30           HA       ARG  30  -3.459  12.434   0.244
  257   1HB   ARG  30          2HB       ARG  30  -2.749   9.822  -0.595
  258   2HB   ARG  30          3HB       ARG  30  -4.443   9.766  -0.119
  259   1HG   ARG  30          2HG       ARG  30  -3.405  11.903  -1.950
  260   2HG   ARG  30          3HG       ARG  30  -3.880  10.316  -2.557
  261   1HD   ARG  30          2HD       ARG  30  -5.915  11.253  -2.739
  262   2HD   ARG  30          3HD       ARG  30  -6.015  10.934  -1.008
  263    HE   ARG  30           HE       ARG  30  -5.529  13.220  -0.595
  264   1HH1  ARG  30          2HH1      ARG  30  -5.938  12.460  -3.973
  265   2HH1  ARG  30          1HH1      ARG  30  -6.205  14.106  -4.442
  266   1HH2  ARG  30          2HH2      ARG  30  -5.883  15.387  -1.205
  267   2HH2  ARG  30          1HH2      ARG  30  -6.175  15.769  -2.870
  268    H    GLY  31           HN       GLY  31  -5.767  12.154   0.615
  269   1HA   GLY  31          1HA       GLY  31  -6.293  11.464   3.420
  270   2HA   GLY  31          2HA       GLY  31  -7.301  12.489   2.402
  271    H    GLN  32           HN       GLN  32  -6.830  10.423   0.212
  272    HA   GLN  32           HA       GLN  32  -8.906   8.534   1.092
  273   1HB   GLN  32          2HB       GLN  32  -8.390   8.828  -1.805
  274   2HB   GLN  32          3HB       GLN  32  -9.913   8.669  -0.943
  275   1HG   GLN  32          2HG       GLN  32  -9.688  11.043  -0.233
  276   2HG   GLN  32          3HG       GLN  32  -8.265  11.164  -1.268
  277   1HE2  GLN  32          1HE2      GLN  32  -9.357  12.807  -2.436
  278   2HE2  GLN  32          2HE2      GLN  32 -10.562  12.406  -3.608
  279    H    CYS  33           HN       CYS  33  -5.854   8.509   1.183
  280    HA   CYS  33           HA       CYS  33  -5.325   6.087  -0.388
  281   1HB   CYS  33          2HB       CYS  33  -3.692   7.960  -0.526
  282   2HB   CYS  33          3HB       CYS  33  -3.397   7.798   1.199
  283    H    THR  34           HN       THR  34  -4.705   4.161   0.581
  284    HA   THR  34           HA       THR  34  -4.104   3.849   3.304
  285    HB   THR  34           HB       THR  34  -6.521   4.583   3.420
  286    HG1  THR  34           1HG      THR  34  -6.723   3.370   5.203
  287   1HG2  THR  34          1HG2      THR  34  -7.347   1.800   2.781
  288   2HG2  THR  34          2HG2      THR  34  -7.014   2.881   1.427
  289   3HG2  THR  34          3HG2      THR  34  -8.239   3.313   2.620
  290    H    CYS  35           HN       CYS  35  -5.420   1.286   3.685
  291    HA   CYS  35           HA       CYS  35  -3.755  -0.275   1.863
  292   1HB   CYS  35          2HB       CYS  35  -3.301  -0.990   4.015
  293   2HB   CYS  35          3HB       CYS  35  -4.959  -0.748   4.558
  294    H    SER  36           HN       SER  36  -4.546  -1.386   0.240
  295    HA   SER  36           HA       SER  36  -7.400  -2.107   0.247
  296   1HB   SER  36          2HB       SER  36  -6.749  -0.229  -1.345
  297   2HB   SER  36          3HB       SER  36  -5.821  -1.435  -2.238
  298    HG   SER  36           HG       SER  36  -8.210  -0.938  -2.744
  299    H    ASP  37           HN       ASP  37  -7.788  -4.190   0.084
  300    HA   ASP  37           HA       ASP  37  -5.841  -5.938  -1.253
  301   1HB   ASP  37          2HB       ASP  37  -5.683  -5.989   1.303
  302   2HB   ASP  37          3HB       ASP  37  -7.272  -6.744   1.279
  303    H    SER  38           HN       SER  38  -6.730  -7.785  -2.244
  304    HA   SER  38           HA       SER  38  -9.606  -7.561  -2.762
  305   1HB   SER  38          2HB       SER  38  -7.525  -7.815  -4.514
  306   2HB   SER  38          3HB       SER  38  -8.047  -9.492  -4.350
  307    HG   SER  38           HG       SER  38  -9.626  -7.266  -5.119
  308    H    LYS  39           HN       LYS  39  -7.357 -10.321  -2.733
  309    HA   LYS  39           HA       LYS  39  -8.646 -11.638  -0.569
  310   1HB   LYS  39          2HB       LYS  39 -10.222 -11.835  -2.671
  311   2HB   LYS  39          3HB       LYS  39  -9.082 -13.085  -3.151
  312   1HG   LYS  39          2HG       LYS  39 -10.115 -14.535  -1.843
  313   2HG   LYS  39          3HG       LYS  39  -9.767 -13.527  -0.435
  314   1HD   LYS  39          2HD       LYS  39 -11.807 -12.146  -1.204
  315   2HD   LYS  39          3HD       LYS  39 -12.207 -13.561  -2.179
  316   1HE   LYS  39          2HE       LYS  39 -11.869 -13.456   0.816
  317   2HE   LYS  39          3HE       LYS  39 -13.376 -13.680  -0.072
  318   1HZ   LYS  39          1HZ       LYS  39 -11.637 -15.642   0.818
  319   2HZ   LYS  39          2HZ       LYS  39 -11.489 -15.626  -0.867
  320   3HZ   LYS  39          3HZ       LYS  39 -13.007 -15.847  -0.154
  321    H    MET  40           HN       MET  40  -6.025 -11.049  -0.992
  322    HA   MET  40           HA       MET  40  -4.851 -13.704  -1.067
  323   1HB   MET  40          2HB       MET  40  -4.294 -11.579  -3.081
  324   2HB   MET  40          3HB       MET  40  -2.946 -12.558  -2.521
  325   1HG   MET  40          2HG       MET  40  -4.798 -14.465  -3.063
  326   2HG   MET  40          3HG       MET  40  -5.180 -13.249  -4.281
  327   1HE   MET  40          1HE       MET  40  -3.571 -16.134  -5.894
  328   2HE   MET  40          2HE       MET  40  -4.946 -15.039  -5.746
  329   3HE   MET  40          3HE       MET  40  -3.641 -14.669  -6.874
  330    H    ASN  41           HN       ASN  41  -2.559 -13.669  -0.352
  331    HA   ASN  41           HA       ASN  41  -2.274 -12.248   2.045
  332   1HB   ASN  41          2HB       ASN  41  -1.147 -14.414   1.487
  333   2HB   ASN  41          3HB       ASN  41  -0.060 -13.522   0.426
  334   1HD2  ASN  41          1HD2      ASN  41   1.338 -11.946   1.371
  335   2HD2  ASN  41          2HD2      ASN  41   1.841 -12.108   3.017
  336    H    THR  42           HN       THR  42  -1.323 -11.484  -1.225
  337    HA   THR  42           HA       THR  42   0.213  -9.179  -0.270
  338    HB   THR  42           HB       THR  42   0.397  -9.067  -3.000
  339    HG1  THR  42           1HG      THR  42  -0.177 -10.981  -3.707
  340   1HG2  THR  42          1HG2      THR  42   2.471  -8.889  -2.182
  341   2HG2  THR  42          2HG2      THR  42   2.542 -10.650  -2.250
  342   3HG2  THR  42          3HG2      THR  42   2.069  -9.843  -0.755
  343    H    HIS  43           HN       HIS  43  -0.274  -7.128  -0.759
  344    HA   HIS  43           HA       HIS  43  -2.581  -6.423  -2.388
  345   1HB   HIS  43          2HB       HIS  43  -3.311  -4.942  -0.343
  346   2HB   HIS  43          3HB       HIS  43  -3.793  -6.636  -0.387
  347    HD1  HIS  43           1HD      HIS  43  -1.924  -8.240   0.872
  348    HD2  HIS  43           2HD      HIS  43  -2.156  -4.258   2.013
  349    HE1  HIS  43           1HE      HIS  43  -0.808  -8.104   3.099
  350    HE2  HIS  43           2HE      HIS  43  -0.963  -5.696   3.786
  351    H    SER  44           HN       SER  44  -2.796  -3.777  -1.833
  352    HA   SER  44           HA       SER  44  -0.198  -2.619  -1.428
  353   1HB   SER  44          2HB       SER  44  -0.064  -1.438  -3.587
  354   2HB   SER  44          3HB       SER  44   0.051  -3.193  -3.770
  355    HG   SER  44           HG       SER  44  -2.528  -2.385  -3.902
  356    H    CYS  45           HN       CYS  45  -0.857  -0.098  -2.737
  357    HA   CYS  45           HA       CYS  45  -2.781   0.843  -0.739
  358   1HB   CYS  45          2HB       CYS  45  -0.763   2.357  -2.409
  359   2HB   CYS  45          3HB       CYS  45  -1.831   3.089  -1.213
  360    H    ASP  46           HN       ASP  46  -4.068   2.851  -1.486
  361    HA   ASP  46           HA       ASP  46  -4.901   2.732  -4.268
  362   1HB   ASP  46          2HB       ASP  46  -6.234   1.005  -2.936
  363   2HB   ASP  46          3HB       ASP  46  -6.982   2.371  -2.115
  364    H    CYS  47           HN       CYS  47  -3.602   4.810  -3.204
  365    HA   CYS  47           HA       CYS  47  -5.308   6.788  -2.049
  366   1HB   CYS  47          2HB       CYS  47  -2.968   7.705  -3.594
  367   2HB   CYS  47          3HB       CYS  47  -3.442   8.085  -1.944
  368    H    LYS  48           HN       LYS  48  -4.709   5.617  -5.182
  369    HA   LYS  48           HA       LYS  48  -6.335   7.783  -6.338
  370   1HB   LYS  48          2HB       LYS  48  -3.916   7.889  -7.010
  371   2HB   LYS  48          3HB       LYS  48  -4.110   6.311  -7.760
  372   1HG   LYS  48          2HG       LYS  48  -6.176   7.980  -8.736
  373   2HG   LYS  48          3HG       LYS  48  -4.659   8.878  -8.838
  374   1HD   LYS  48          2HD       LYS  48  -3.826   7.529 -10.438
  375   2HD   LYS  48          3HD       LYS  48  -4.499   6.074  -9.700
  376   1HE   LYS  48          2HE       LYS  48  -5.991   6.063 -11.354
  377   2HE   LYS  48          3HE       LYS  48  -6.721   7.471 -10.585
  378   1HZ   LYS  48          1HZ       LYS  48  -4.464   8.144 -12.218
  379   2HZ   LYS  48          2HZ       LYS  48  -6.028   8.789 -12.221
  380   3HZ   LYS  48          3HZ       LYS  48  -5.693   7.383 -13.100
  381    H    SER  49           HN       SER  49  -7.987   7.182  -7.602
  382    HA   SER  49           HA       SER  49  -9.069   4.623  -7.427
  383   1HB   SER  49          2HB       SER  49  -9.923   7.061  -8.384
  384   2HB   SER  49          3HB       SER  49  -9.863   6.076  -9.846
  385    HG   SER  49           HG       SER  49 -11.857   6.078  -8.417
  386    H    CYS  50           HN       CYS  50  -7.430   3.134  -7.959
  387    HA   CYS  50           HA       CYS  50  -6.580   3.054 -10.763
  388   1HB   CYS  50          2HB       CYS  50  -5.572   1.459  -8.395
  389   2HB   CYS  50          3HB       CYS  50  -4.889   1.443 -10.016
  Start of MODEL   12
    1   1H    ASN   1          1H        ASN   1  -9.539   6.769 -16.672
    2   2H    ASN   1          2H        ASN   1  -8.418   7.445 -17.742
    3   3H    ASN   1          3H        ASN   1  -9.046   8.376 -16.478
    4    HA   ASN   1           HA       ASN   1  -8.010   6.246 -15.174
    5   1HB   ASN   1          2HB       ASN   1  -6.890   6.284 -17.761
    6   2HB   ASN   1          3HB       ASN   1  -5.644   6.916 -16.688
    7   1HD2  ASN   1          1HD2      ASN   1  -7.106   4.166 -17.903
    8   2HD2  ASN   1          2HD2      ASN   1  -6.425   3.007 -16.817
    9    H    LEU   2           HN       LEU   2  -7.824   7.448 -13.391
   10    HA   LEU   2           HA       LEU   2  -5.950   9.698 -13.427
   11   1HB   LEU   2          2HB       LEU   2  -7.839  10.565 -11.639
   12   2HB   LEU   2          3HB       LEU   2  -7.641  11.150 -13.279
   13    HG   LEU   2           HG       LEU   2  -9.263   9.158 -13.858
   14   1HD1  LEU   2          1HD1      LEU   2 -10.762   9.641 -11.473
   15   2HD1  LEU   2          2HD1      LEU   2 -10.224   8.109 -12.160
   16   3HD1  LEU   2          3HD1      LEU   2  -9.177   8.996 -11.051
   17   1HD2  LEU   2          1HD2      LEU   2  -9.589  11.681 -14.053
   18   2HD2  LEU   2          2HD2      LEU   2 -11.039  10.688 -13.911
   19   3HD2  LEU   2          3HD2      LEU   2 -10.435  11.572 -12.510
   20    H    MET   3           HN       MET   3  -4.562   9.643 -11.778
   21    HA   MET   3           HA       MET   3  -5.301   8.441  -9.244
   22   1HB   MET   3          2HB       MET   3  -3.348   6.921  -9.231
   23   2HB   MET   3          3HB       MET   3  -4.528   6.497 -10.463
   24   1HG   MET   3          2HG       MET   3  -3.054   6.751 -12.100
   25   2HG   MET   3          3HG       MET   3  -2.513   8.309 -11.477
   26   1HE   MET   3          1HE       MET   3  -0.988   5.004 -12.497
   27   2HE   MET   3          2HE       MET   3  -0.612   4.223 -10.960
   28   3HE   MET   3          3HE       MET   3  -2.290   4.551 -11.395
   29    H    LYS   4           HN       LYS   4  -3.583   8.740  -7.581
   30    HA   LYS   4           HA       LYS   4  -2.085  11.204  -8.129
   31   1HB   LYS   4          2HB       LYS   4  -3.407  11.784  -6.340
   32   2HB   LYS   4          3HB       LYS   4  -3.495  10.138  -5.729
   33   1HG   LYS   4          2HG       LYS   4  -0.870  11.497  -5.586
   34   2HG   LYS   4          3HG       LYS   4  -2.143  12.050  -4.492
   35   1HD   LYS   4          2HD       LYS   4  -2.452   9.753  -3.704
   36   2HD   LYS   4          3HD       LYS   4  -1.175   9.208  -4.793
   37   1HE   LYS   4          2HE       LYS   4  -0.939  10.998  -2.386
   38   2HE   LYS   4          3HE       LYS   4  -0.177   9.433  -2.657
   39   1HZ   LYS   4          1HZ       LYS   4   0.544  12.063  -3.735
   40   2HZ   LYS   4          2HZ       LYS   4   0.882  10.690  -4.665
   41   3HZ   LYS   4          3HZ       LYS   4   1.541  10.844  -3.115
   42    H    ARG   5           HN       ARG   5  -1.901   8.036  -6.568
   43    HA   ARG   5           HA       ARG   5   0.698   7.483  -7.414
   44   1HB   ARG   5          2HB       ARG   5   0.646   9.244  -5.193
   45   2HB   ARG   5          3HB       ARG   5   1.190   7.679  -4.603
   46   1HG   ARG   5          2HG       ARG   5   2.406   8.732  -7.096
   47   2HG   ARG   5          3HG       ARG   5   2.872   9.466  -5.560
   48   1HD   ARG   5          2HD       ARG   5   3.779   7.482  -4.747
   49   2HD   ARG   5          3HD       ARG   5   2.886   6.490  -5.900
   50    HE   ARG   5           HE       ARG   5   5.364   7.942  -6.385
   51   1HH1  ARG   5          2HH1      ARG   5   2.736   6.050  -7.681
   52   2HH1  ARG   5          1HH1      ARG   5   3.590   5.626  -9.128
   53   1HH2  ARG   5          2HH2      ARG   5   6.487   7.388  -8.285
   54   2HH2  ARG   5          1HH2      ARG   5   5.720   6.387  -9.472
   55    H    CYS   6           HN       CYS   6  -2.149   6.524  -6.406
   56    HA   CYS   6           HA       CYS   6  -2.072   4.634  -4.481
   57   1HB   CYS   6          2HB       CYS   6  -3.651   3.281  -5.880
   58   2HB   CYS   6          3HB       CYS   6  -4.080   4.982  -5.753
   59    H    THR   7           HN       THR   7  -0.772   2.990  -3.988
   60    HA   THR   7           HA       THR   7   0.676   1.259  -4.142
   61    HB   THR   7           HB       THR   7   0.353  -0.376  -5.737
   62    HG1  THR   7           1HG      THR   7   0.250   0.018  -7.842
   63   1HG2  THR   7          1HG2      THR   7  -1.779  -0.156  -4.792
   64   2HG2  THR   7          2HG2      THR   7  -2.082  -0.189  -6.529
   65   3HG2  THR   7          3HG2      THR   7  -2.108   1.345  -5.658
   66    H    ARG   8           HN       ARG   8   2.808   1.103  -4.438
   67    HA   ARG   8           HA       ARG   8   4.078   2.962  -6.318
   68   1HB   ARG   8          2HB       ARG   8   4.618   2.226  -3.639
   69   2HB   ARG   8          3HB       ARG   8   5.930   1.568  -4.605
   70   1HG   ARG   8          2HG       ARG   8   6.531   3.701  -5.416
   71   2HG   ARG   8          3HG       ARG   8   5.048   4.432  -4.794
   72   1HD   ARG   8          2HD       ARG   8   5.903   4.676  -2.735
   73   2HD   ARG   8          3HD       ARG   8   6.641   3.086  -2.752
   74    HE   ARG   8           HE       ARG   8   8.611   4.034  -3.438
   75   1HH1  ARG   8          2HH1      ARG   8   6.028   6.345  -3.817
   76   2HH1  ARG   8          1HH1      ARG   8   7.090   7.663  -4.184
   77   1HH2  ARG   8          2HH2      ARG   8  10.013   5.764  -3.925
   78   2HH2  ARG   8          1HH2      ARG   8   9.354   7.333  -4.249
   79    H    GLY   9           HN       GLY   9   2.832   0.635  -7.271
   80   1HA   GLY   9          1HA       GLY   9   3.759  -0.564  -9.200
   81   2HA   GLY   9          2HA       GLY   9   5.156  -0.936  -8.193
   82    H    PHE  10           HN       PHE  10   2.297  -0.976  -6.444
   83    HA   PHE  10           HA       PHE  10   1.079  -2.610  -5.444
   84   1HB   PHE  10          2HB       PHE  10   0.770  -3.025  -8.105
   85   2HB   PHE  10          3HB       PHE  10   1.465  -4.569  -7.629
   86    HD1  PHE  10           1HD      PHE  10   0.349  -5.522  -5.359
   87    HD2  PHE  10           2HD      PHE  10  -1.508  -2.909  -8.157
   88    HE1  PHE  10           1HE      PHE  10  -1.864  -6.282  -4.594
   89    HE2  PHE  10           2HE      PHE  10  -3.723  -3.661  -7.396
   90    HZ   PHE  10           HZ       PHE  10  -3.903  -5.349  -5.612
   91    H    ARG  11           HN       ARG  11   2.899  -2.833  -3.912
   92    HA   ARG  11           HA       ARG  11   3.850  -5.561  -3.960
   93   1HB   ARG  11          2HB       ARG  11   6.215  -4.802  -3.447
   94   2HB   ARG  11          3HB       ARG  11   5.673  -4.595  -5.104
   95   1HG   ARG  11          2HG       ARG  11   6.310  -2.480  -4.969
   96   2HG   ARG  11          3HG       ARG  11   4.998  -2.216  -3.818
   97   1HD   ARG  11          2HD       ARG  11   6.408  -2.035  -2.098
   98   2HD   ARG  11          3HD       ARG  11   7.318  -3.461  -2.600
   99    HE   ARG  11           HE       ARG  11   7.763  -0.893  -3.952
  100   1HH1  ARG  11          2HH1      ARG  11   8.929  -3.507  -1.963
  101   2HH1  ARG  11          1HH1      ARG  11  10.589  -3.028  -2.084
  102   1HH2  ARG  11          2HH2      ARG  11   9.945  -0.258  -4.118
  103   2HH2  ARG  11          1HH2      ARG  11  11.167  -1.183  -3.311
  104    H    LYS  12           HN       LYS  12   2.053  -4.911  -2.208
  105    HA   LYS  12           HA       LYS  12   3.481  -4.382   0.316
  106   1HB   LYS  12          2HB       LYS  12   0.561  -4.015  -0.405
  107   2HB   LYS  12          3HB       LYS  12   1.172  -3.909   1.238
  108   1HG   LYS  12          2HG       LYS  12   0.849  -1.703   0.197
  109   2HG   LYS  12          3HG       LYS  12   2.525  -1.994   0.659
  110   1HD   LYS  12          2HD       LYS  12   3.239  -2.126  -1.519
  111   2HD   LYS  12          3HD       LYS  12   1.664  -2.661  -2.112
  112   1HE   LYS  12          2HE       LYS  12   0.812  -0.351  -1.564
  113   2HE   LYS  12          3HE       LYS  12   2.492   0.116  -1.299
  114   1HZ   LYS  12          1HZ       LYS  12   1.282  -0.861  -3.823
  115   2HZ   LYS  12          2HZ       LYS  12   2.946  -0.655  -3.601
  116   3HZ   LYS  12          3HZ       LYS  12   1.911   0.679  -3.514
  117    H    LEU  13           HN       LEU  13   2.724  -5.780   2.195
  118    HA   LEU  13           HA       LEU  13   1.406  -8.254   1.378
  119   1HB   LEU  13          2HB       LEU  13   3.416  -9.458   2.597
  120   2HB   LEU  13          3HB       LEU  13   3.444  -9.104   0.880
  121    HG   LEU  13           HG       LEU  13   4.515  -6.886   2.393
  122   1HD1  LEU  13          1HD1      LEU  13   6.100  -7.797   3.697
  123   2HD1  LEU  13          2HD1      LEU  13   5.020  -9.191   3.715
  124   3HD1  LEU  13          3HD1      LEU  13   6.382  -9.146   2.594
  125   1HD2  LEU  13          1HD2      LEU  13   6.168  -8.590   0.613
  126   2HD2  LEU  13          2HD2      LEU  13   4.768  -7.782  -0.091
  127   3HD2  LEU  13          3HD2      LEU  13   6.030  -6.834   0.695
  128    H    GLY  14           HN       GLY  14   0.732  -9.625   3.056
  129   1HA   GLY  14          1HA       GLY  14   0.530 -10.238   5.352
  130   2HA   GLY  14          2HA       GLY  14   1.006  -8.610   5.801
  131    H    LYS  15           HN       LYS  15  -1.545  -9.831   3.619
  132    HA   LYS  15           HA       LYS  15  -3.684  -8.931   3.365
  133   1HB   LYS  15          2HB       LYS  15  -3.357 -10.794   5.535
  134   2HB   LYS  15          3HB       LYS  15  -4.703  -9.712   5.870
  135   1HG   LYS  15          2HG       LYS  15  -5.291 -10.314   3.348
  136   2HG   LYS  15          3HG       LYS  15  -4.390 -11.771   3.774
  137   1HD   LYS  15          2HD       LYS  15  -5.880 -12.299   5.527
  138   2HD   LYS  15          3HD       LYS  15  -6.614 -10.695   5.486
  139   1HE   LYS  15          2HE       LYS  15  -8.196 -11.980   4.400
  140   2HE   LYS  15          3HE       LYS  15  -7.257 -11.332   3.055
  141   1HZ   LYS  15          1HZ       LYS  15  -5.985 -13.419   3.037
  142   2HZ   LYS  15          2HZ       LYS  15  -7.630 -13.666   2.729
  143   3HZ   LYS  15          3HZ       LYS  15  -6.991 -14.038   4.250
  144    H    CYS  16           HN       CYS  16  -3.288  -6.660   3.379
  145    HA   CYS  16           HA       CYS  16  -3.425  -4.513   4.123
  146   1HB   CYS  16          2HB       CYS  16  -5.829  -5.648   4.555
  147   2HB   CYS  16          3HB       CYS  16  -5.421  -5.205   6.209
  148    H    THR  17           HN       THR  17  -1.312  -5.679   5.125
  149    HA   THR  17           HA       THR  17  -1.105  -5.761   7.946
  150    HB   THR  17           HB       THR  17   0.587  -6.214   5.646
  151    HG1  THR  17           1HG      THR  17   1.645  -7.545   7.350
  152   1HG2  THR  17          1HG2      THR  17   2.752  -5.670   6.687
  153   2HG2  THR  17          2HG2      THR  17   1.910  -4.845   7.997
  154   3HG2  THR  17          3HG2      THR  17   1.804  -4.222   6.352
  155    H    THR  18           HN       THR  18   0.248  -4.345   9.269
  156    HA   THR  18           HA       THR  18  -0.501  -1.669   9.157
  157    HB   THR  18           HB       THR  18   1.613  -3.160  10.648
  158    HG1  THR  18           1HG      THR  18   0.302  -1.641  12.250
  159   1HG2  THR  18          1HG2      THR  18   3.008  -1.413  10.708
  160   2HG2  THR  18          2HG2      THR  18   1.773  -0.572  11.646
  161   3HG2  THR  18          3HG2      THR  18   1.845  -0.366   9.895
  162    H    LEU  19           HN       LEU  19   2.653  -3.111   8.334
  163    HA   LEU  19           HA       LEU  19   3.941  -0.851   7.411
  164   1HB   LEU  19          2HB       LEU  19   4.499  -3.547   7.510
  165   2HB   LEU  19          3HB       LEU  19   4.466  -3.229   5.786
  166    HG   LEU  19           HG       LEU  19   6.728  -3.071   6.919
  167   1HD1  LEU  19          1HD1      LEU  19   7.340  -1.829   5.179
  168   2HD1  LEU  19          2HD1      LEU  19   5.625  -1.648   4.816
  169   3HD1  LEU  19          3HD1      LEU  19   6.457  -0.425   5.776
  170   1HD2  LEU  19          1HD2      LEU  19   6.440  -0.341   7.727
  171   2HD2  LEU  19          2HD2      LEU  19   5.307  -1.350   8.628
  172   3HD2  LEU  19          3HD2      LEU  19   7.031  -1.722   8.654
  173    H    GLU  20           HN       GLU  20   1.357  -2.616   5.992
  174    HA   GLU  20           HA       GLU  20   1.755  -1.607   3.336
  175   1HB   GLU  20          2HB       GLU  20   0.500  -3.426   2.954
  176   2HB   GLU  20          3HB       GLU  20   0.025  -3.526   4.641
  177   1HG   GLU  20          2HG       GLU  20  -1.974  -3.327   3.465
  178   2HG   GLU  20          3HG       GLU  20  -1.673  -1.712   4.106
  179    H    GLU  21           HN       GLU  21  -0.600  -0.968   5.941
  180    HA   GLU  21           HA       GLU  21  -1.890   1.176   4.607
  181   1HB   GLU  21          2HB       GLU  21  -2.981   1.615   6.659
  182   2HB   GLU  21          3HB       GLU  21  -2.735  -0.125   6.637
  183   1HG   GLU  21          2HG       GLU  21  -0.581   0.424   7.965
  184   2HG   GLU  21          3HG       GLU  21  -1.383   1.959   8.286
  185    H    GLU  22           HN       GLU  22   1.049   0.831   6.346
  186    HA   GLU  22           HA       GLU  22   1.483   3.621   6.864
  187   1HB   GLU  22          2HB       GLU  22   2.855   1.074   7.394
  188   2HB   GLU  22          3HB       GLU  22   3.933   2.426   7.083
  189   1HG   GLU  22          2HG       GLU  22   1.899   3.282   8.875
  190   2HG   GLU  22          3HG       GLU  22   2.578   1.767   9.467
  191    H    LYS  23           HN       LYS  23   2.443   1.236   4.454
  192    HA   LYS  23           HA       LYS  23   4.407   2.655   3.098
  193   1HB   LYS  23          2HB       LYS  23   4.004   0.362   2.532
  194   2HB   LYS  23          3HB       LYS  23   2.325   0.689   2.134
  195   1HG   LYS  23          2HG       LYS  23   2.890   0.958   0.010
  196   2HG   LYS  23          3HG       LYS  23   3.933   2.318   0.458
  197   1HD   LYS  23          2HD       LYS  23   5.814   0.913   0.688
  198   2HD   LYS  23          3HD       LYS  23   4.820  -0.543   0.700
  199   1HE   LYS  23          2HE       LYS  23   4.907  -0.712  -1.511
  200   2HE   LYS  23          3HE       LYS  23   4.390   0.963  -1.715
  201   1HZ   LYS  23          1HZ       LYS  23   7.037   1.012  -0.856
  202   2HZ   LYS  23          2HZ       LYS  23   6.433   1.445  -2.376
  203   3HZ   LYS  23          3HZ       LYS  23   6.951  -0.140  -2.092
  204    H    CYS  24           HN       CYS  24   0.901   2.652   2.722
  205    HA   CYS  24           HA       CYS  24   0.798   4.554   0.627
  206   1HB   CYS  24          2HB       CYS  24  -1.462   4.197   2.548
  207   2HB   CYS  24          3HB       CYS  24  -1.499   4.381   0.796
  208    H    LYS  25           HN       LYS  25   0.484   4.869   4.158
  209    HA   LYS  25           HA       LYS  25  -0.156   7.646   4.041
  210   1HB   LYS  25          2HB       LYS  25   0.292   5.635   6.127
  211   2HB   LYS  25          3HB       LYS  25   0.780   7.262   6.583
  212   1HG   LYS  25          2HG       LYS  25  -1.464   6.974   7.287
  213   2HG   LYS  25          3HG       LYS  25  -1.492   8.046   5.884
  214   1HD   LYS  25          2HD       LYS  25  -1.781   5.131   5.396
  215   2HD   LYS  25          3HD       LYS  25  -3.148   5.977   6.125
  216   1HE   LYS  25          2HE       LYS  25  -1.767   6.875   3.600
  217   2HE   LYS  25          3HE       LYS  25  -3.195   5.839   3.621
  218   1HZ   LYS  25          1HZ       LYS  25  -2.960   8.660   4.466
  219   2HZ   LYS  25          2HZ       LYS  25  -4.237   7.691   5.005
  220   3HZ   LYS  25          3HZ       LYS  25  -4.033   7.977   3.351
  221    H    THR  26           HN       THR  26   2.701   6.158   5.543
  222    HA   THR  26           HA       THR  26   4.232   8.411   5.791
  223    HB   THR  26           HB       THR  26   6.192   6.986   5.924
  224    HG1  THR  26           1HG      THR  26   5.570   4.602   5.533
  225   1HG2  THR  26          1HG2      THR  26   4.890   5.056   7.339
  226   2HG2  THR  26          2HG2      THR  26   3.668   6.326   7.273
  227   3HG2  THR  26          3HG2      THR  26   5.261   6.668   7.950
  228    H    LEU  27           HN       LEU  27   4.095   6.277   2.909
  229    HA   LEU  27           HA       LEU  27   6.066   7.926   1.584
  230   1HB   LEU  27          2HB       LEU  27   4.539   5.483   0.770
  231   2HB   LEU  27          3HB       LEU  27   5.496   6.391  -0.384
  232    HG   LEU  27           HG       LEU  27   7.399   6.085   1.392
  233   1HD1  LEU  27          1HD1      LEU  27   5.616   3.733   1.996
  234   2HD1  LEU  27          2HD1      LEU  27   7.247   4.001   2.613
  235   3HD1  LEU  27          3HD1      LEU  27   5.938   5.084   3.084
  236   1HD2  LEU  27          1HD2      LEU  27   7.430   3.559   0.284
  237   2HD2  LEU  27          2HD2      LEU  27   6.465   4.504  -0.850
  238   3HD2  LEU  27          3HD2      LEU  27   8.096   5.025  -0.434
  239    H    TYR  28           HN       TYR  28   2.560   7.363   1.301
  240    HA   TYR  28           HA       TYR  28   2.486   9.523  -0.704
  241   1HB   TYR  28          2HB       TYR  28   0.100   7.816  -0.135
  242   2HB   TYR  28          3HB       TYR  28   0.565   8.613  -1.626
  243    HD1  TYR  28           1HD      TYR  28   3.530   7.282  -1.303
  244    HD2  TYR  28           2HD      TYR  28  -0.472   5.839  -1.455
  245    HE1  TYR  28           1HE      TYR  28   4.330   5.135  -2.147
  246    HE2  TYR  28           2HE      TYR  28   0.334   3.683  -2.306
  247    HH   TYR  28           HH       TYR  28   3.111   2.517  -2.020
  248    HA   PRO  29           HA       PRO  29   0.429  11.840   2.533
  249   1HB   PRO  29          2HB       PRO  29   0.717  14.258   1.470
  250   2HB   PRO  29          3HB       PRO  29   2.122  13.348   2.040
  251   1HG   PRO  29          2HG       PRO  29   1.182  13.836  -0.741
  252   2HG   PRO  29          3HG       PRO  29   2.834  13.673  -0.124
  253   1HD   PRO  29          2HD       PRO  29   1.280  11.666  -1.381
  254   2HD   PRO  29          3HD       PRO  29   2.839  11.450  -0.563
  255    H    ARG  30           HN       ARG  30  -1.277  10.492   0.551
  256    HA   ARG  30           HA       ARG  30  -3.114  12.471  -0.457
  257   1HB   ARG  30          2HB       ARG  30  -2.569   9.795  -1.045
  258   2HB   ARG  30          3HB       ARG  30  -4.194   9.775  -0.364
  259   1HG   ARG  30          2HG       ARG  30  -3.505  11.784  -2.463
  260   2HG   ARG  30          3HG       ARG  30  -3.824  10.114  -2.936
  261   1HD   ARG  30          2HD       ARG  30  -5.934  10.438  -1.393
  262   2HD   ARG  30          3HD       ARG  30  -5.655  12.142  -1.746
  263    HE   ARG  30           HE       ARG  30  -6.566  10.102  -3.586
  264   1HH1  ARG  30          2HH1      ARG  30  -5.228  13.296  -3.199
  265   2HH1  ARG  30          1HH1      ARG  30  -5.756  13.845  -4.754
  266   1HH2  ARG  30          2HH2      ARG  30  -7.264  10.816  -5.634
  267   2HH2  ARG  30          1HH2      ARG  30  -6.912  12.435  -6.139
  268    H    GLY  31           HN       GLY  31  -5.060  13.069   0.346
  269   1HA   GLY  31          1HA       GLY  31  -5.580  12.557   3.129
  270   2HA   GLY  31          2HA       GLY  31  -6.574  13.522   2.039
  271    H    GLN  32           HN       GLN  32  -6.251  10.983   0.251
  272    HA   GLN  32           HA       GLN  32  -8.379   9.393   1.514
  273   1HB   GLN  32          2HB       GLN  32  -8.307   9.498  -1.444
  274   2HB   GLN  32          3HB       GLN  32  -9.685   9.430  -0.354
  275   1HG   GLN  32          2HG       GLN  32  -8.747  11.913   0.168
  276   2HG   GLN  32          3HG       GLN  32  -8.314  11.740  -1.532
  277   1HE2  GLN  32          1HE2      GLN  32  -9.819  12.193  -2.981
  278   2HE2  GLN  32          2HE2      GLN  32 -11.514  12.322  -2.672
  279    H    CYS  33           HN       CYS  33  -5.601   8.903   1.680
  280    HA   CYS  33           HA       CYS  33  -5.116   6.673  -0.170
  281   1HB   CYS  33          2HB       CYS  33  -3.400   8.573   0.542
  282   2HB   CYS  33          3HB       CYS  33  -3.143   7.508   1.918
  283    H    THR  34           HN       THR  34  -4.523   4.582   0.668
  284    HA   THR  34           HA       THR  34  -4.554   3.929   3.400
  285    HB   THR  34           HB       THR  34  -6.969   4.706   2.883
  286    HG1  THR  34           1HG      THR  34  -7.628   3.397   4.546
  287   1HG2  THR  34          1HG2      THR  34  -7.181   1.844   1.930
  288   2HG2  THR  34          2HG2      THR  34  -7.195   3.248   0.863
  289   3HG2  THR  34          3HG2      THR  34  -8.480   3.032   2.051
  290    H    CYS  35           HN       CYS  35  -5.623   1.401   3.436
  291    HA   CYS  35           HA       CYS  35  -3.825  -0.010   1.611
  292   1HB   CYS  35          2HB       CYS  35  -3.375  -0.815   3.723
  293   2HB   CYS  35          3HB       CYS  35  -5.034  -0.607   4.272
  294    H    SER  36           HN       SER  36  -4.479  -1.724   0.320
  295    HA   SER  36           HA       SER  36  -7.328  -2.329   0.133
  296   1HB   SER  36          2HB       SER  36  -7.252  -0.608  -1.479
  297   2HB   SER  36          3HB       SER  36  -5.675  -1.121  -2.077
  298    HG   SER  36           HG       SER  36  -6.596  -2.752  -3.165
  299    H    ASP  37           HN       ASP  37  -7.673  -4.425  -0.187
  300    HA   ASP  37           HA       ASP  37  -5.608  -6.055  -1.484
  301   1HB   ASP  37          2HB       ASP  37  -5.212  -6.317   0.900
  302   2HB   ASP  37          3HB       ASP  37  -6.914  -6.674   1.176
  303    H    SER  38           HN       SER  38  -6.427  -8.191  -2.167
  304    HA   SER  38           HA       SER  38  -9.275  -8.017  -2.887
  305   1HB   SER  38          2HB       SER  38  -8.254  -9.950  -4.530
  306   2HB   SER  38          3HB       SER  38  -8.389  -8.245  -4.959
  307    HG   SER  38           HG       SER  38  -6.239  -9.421  -5.129
  308    H    LYS  39           HN       LYS  39  -7.081 -10.797  -2.861
  309    HA   LYS  39           HA       LYS  39  -8.344 -12.027  -0.598
  310   1HB   LYS  39          2HB       LYS  39  -9.410 -12.505  -3.239
  311   2HB   LYS  39          3HB       LYS  39  -8.763 -13.994  -2.562
  312   1HG   LYS  39          2HG       LYS  39 -10.571 -14.233  -1.316
  313   2HG   LYS  39          3HG       LYS  39 -10.269 -12.675  -0.543
  314   1HD   LYS  39          2HD       LYS  39 -12.246 -12.108  -1.461
  315   2HD   LYS  39          3HD       LYS  39 -11.288 -11.879  -2.927
  316   1HE   LYS  39          2HE       LYS  39 -12.472 -13.455  -3.944
  317   2HE   LYS  39          3HE       LYS  39 -11.941 -14.630  -2.743
  318   1HZ   LYS  39          1HZ       LYS  39 -14.120 -14.755  -2.296
  319   2HZ   LYS  39          2HZ       LYS  39 -14.474 -13.252  -2.986
  320   3HZ   LYS  39          3HZ       LYS  39 -13.866 -13.336  -1.410
  321    H    MET  40           HN       MET  40  -5.717 -11.374  -1.093
  322    HA   MET  40           HA       MET  40  -4.482 -14.016  -1.043
  323   1HB   MET  40          2HB       MET  40  -3.828 -11.848  -3.010
  324   2HB   MET  40          3HB       MET  40  -2.578 -12.966  -2.480
  325   1HG   MET  40          2HG       MET  40  -4.080 -14.836  -3.203
  326   2HG   MET  40          3HG       MET  40  -5.133 -13.619  -3.921
  327   1HE   MET  40          1HE       MET  40  -1.702 -15.641  -5.860
  328   2HE   MET  40          2HE       MET  40  -1.500 -15.307  -4.140
  329   3HE   MET  40          3HE       MET  40  -2.919 -16.188  -4.707
  330    H    ASN  41           HN       ASN  41  -2.140 -13.840  -0.363
  331    HA   ASN  41           HA       ASN  41  -1.978 -12.385   2.051
  332   1HB   ASN  41          2HB       ASN  41  -0.796 -14.507   1.716
  333   2HB   ASN  41          3HB       ASN  41   0.209 -13.763   0.475
  334   1HD2  ASN  41          1HD2      ASN  41  -0.739 -13.319   3.863
  335   2HD2  ASN  41          2HD2      ASN  41   0.818 -12.807   4.409
  336    H    THR  42           HN       THR  42  -1.045 -11.646  -1.214
  337    HA   THR  42           HA       THR  42   0.436  -9.291  -0.275
  338    HB   THR  42           HB       THR  42   0.706  -9.268  -3.007
  339    HG1  THR  42           1HG      THR  42   1.413 -11.872  -2.607
  340   1HG2  THR  42          1HG2      THR  42   2.324  -9.773  -0.685
  341   2HG2  THR  42          2HG2      THR  42   2.776  -9.029  -2.219
  342   3HG2  THR  42          3HG2      THR  42   2.859 -10.782  -2.030
  343    H    HIS  43           HN       HIS  43  -0.094  -7.270  -0.846
  344    HA   HIS  43           HA       HIS  43  -2.345  -6.688  -2.596
  345   1HB   HIS  43          2HB       HIS  43  -3.215  -5.166  -0.640
  346   2HB   HIS  43          3HB       HIS  43  -3.644  -6.874  -0.651
  347    HD1  HIS  43           1HD      HIS  43  -1.799  -8.377   0.755
  348    HD2  HIS  43           2HD      HIS  43  -2.183  -4.366   1.738
  349    HE1  HIS  43           1HE      HIS  43  -0.795  -8.134   3.023
  350    HE2  HIS  43           2HE      HIS  43  -0.918  -5.684   3.552
  351    H    SER  44           HN       SER  44  -2.670  -4.023  -1.961
  352    HA   SER  44           HA       SER  44  -0.094  -2.809  -1.600
  353   1HB   SER  44          2HB       SER  44  -0.052  -1.575  -3.723
  354   2HB   SER  44          3HB       SER  44   0.075  -3.321  -3.971
  355    HG   SER  44           HG       SER  44  -2.500  -2.294  -3.987
  356    H    CYS  45           HN       CYS  45  -0.930  -0.285  -2.867
  357    HA   CYS  45           HA       CYS  45  -2.736   0.548  -0.723
  358   1HB   CYS  45          2HB       CYS  45  -0.874   2.114  -2.507
  359   2HB   CYS  45          3HB       CYS  45  -1.952   2.851  -1.323
  360    H    ASP  46           HN       ASP  46  -3.990   2.640  -1.386
  361    HA   ASP  46           HA       ASP  46  -5.198   2.442  -4.028
  362   1HB   ASP  46          2HB       ASP  46  -6.454   0.972  -2.282
  363   2HB   ASP  46          3HB       ASP  46  -7.020   2.509  -1.635
  364    H    CYS  47           HN       CYS  47  -3.487   4.324  -2.947
  365    HA   CYS  47           HA       CYS  47  -4.476   6.569  -1.730
  366   1HB   CYS  47          2HB       CYS  47  -2.216   5.891  -3.299
  367   2HB   CYS  47          3HB       CYS  47  -2.873   7.389  -3.952
  368    H    LYS  48           HN       LYS  48  -5.057   5.383  -4.907
  369    HA   LYS  48           HA       LYS  48  -7.093   7.395  -5.320
  370   1HB   LYS  48          2HB       LYS  48  -4.586   7.776  -6.437
  371   2HB   LYS  48          3HB       LYS  48  -5.534   7.087  -7.747
  372   1HG   LYS  48          2HG       LYS  48  -6.531   9.405  -6.127
  373   2HG   LYS  48          3HG       LYS  48  -5.484   9.624  -7.531
  374   1HD   LYS  48          2HD       LYS  48  -7.107   9.022  -9.006
  375   2HD   LYS  48          3HD       LYS  48  -7.851   7.880  -7.884
  376   1HE   LYS  48          2HE       LYS  48  -8.228  10.363  -6.699
  377   2HE   LYS  48          3HE       LYS  48  -8.505  10.652  -8.416
  378   1HZ   LYS  48          1HZ       LYS  48 -10.302   9.266  -8.455
  379   2HZ   LYS  48          2HZ       LYS  48 -10.427   9.846  -6.872
  380   3HZ   LYS  48          3HZ       LYS  48  -9.762   8.318  -7.161
  381    H    SER  49           HN       SER  49  -8.690   6.788  -6.715
  382    HA   SER  49           HA       SER  49  -9.178   4.032  -6.988
  383   1HB   SER  49          2HB       SER  49 -10.712   6.289  -7.128
  384   2HB   SER  49          3HB       SER  49 -10.662   5.795  -8.821
  385    HG   SER  49           HG       SER  49 -12.322   4.660  -8.024
  386    H    CYS  50           HN       CYS  50  -7.367   3.170  -8.077
  387    HA   CYS  50           HA       CYS  50  -7.341   3.700 -10.976
  388   1HB   CYS  50          2HB       CYS  50  -4.922   2.956 -10.879
  389   2HB   CYS  50          3HB       CYS  50  -5.270   4.508 -10.124
  Start of MODEL   13
    1   1H    ASN   1          1H        ASN   1  -4.619  17.212  -7.028
    2   2H    ASN   1          2H        ASN   1  -3.687  18.624  -7.011
    3   3H    ASN   1          3H        ASN   1  -5.352  18.706  -6.720
    4    HA   ASN   1           HA       ASN   1  -3.954  18.909  -4.696
    5   1HB   ASN   1          2HB       ASN   1  -5.315  17.000  -3.524
    6   2HB   ASN   1          3HB       ASN   1  -6.169  18.355  -4.257
    7   1HD2  ASN   1          1HD2      ASN   1  -8.035  17.412  -4.822
    8   2HD2  ASN   1          2HD2      ASN   1  -8.174  16.080  -5.912
    9    H    LEU   2           HN       LEU   2  -1.925  17.931  -6.112
   10    HA   LEU   2           HA       LEU   2  -0.035  16.682  -5.964
   11   1HB   LEU   2          2HB       LEU   2  -1.156  16.644  -3.311
   12   2HB   LEU   2          3HB       LEU   2  -0.362  15.119  -3.651
   13    HG   LEU   2           HG       LEU   2   1.538  16.837  -4.513
   14   1HD1  LEU   2          1HD1      LEU   2   0.193  18.786  -3.821
   15   2HD1  LEU   2          2HD1      LEU   2   0.247  18.202  -2.157
   16   3HD1  LEU   2          3HD1      LEU   2   1.736  18.681  -2.973
   17   1HD2  LEU   2          1HD2      LEU   2   1.709  16.468  -1.637
   18   2HD2  LEU   2          2HD2      LEU   2   1.223  14.999  -2.483
   19   3HD2  LEU   2          3HD2      LEU   2   2.722  15.816  -2.924
   20    H    MET   3           HN       MET   3   0.270  15.062  -7.315
   21    HA   MET   3           HA       MET   3  -1.652  13.107  -7.914
   22   1HB   MET   3          2HB       MET   3   1.292  13.315  -8.523
   23   2HB   MET   3          3HB       MET   3   0.311  11.973  -9.096
   24   1HG   MET   3          2HG       MET   3   0.257  13.388 -10.895
   25   2HG   MET   3          3HG       MET   3  -1.218  13.845 -10.046
   26   1HE   MET   3          1HE       MET   3  -1.393  16.799  -9.059
   27   2HE   MET   3          2HE       MET   3  -0.986  17.274 -10.708
   28   3HE   MET   3          3HE       MET   3  -1.872  15.777 -10.413
   29    H    LYS   4           HN       LYS   4  -1.827  10.944  -7.407
   30    HA   LYS   4           HA       LYS   4  -0.200  10.027  -5.127
   31   1HB   LYS   4          2HB       LYS   4  -2.904   8.873  -5.621
   32   2HB   LYS   4          3HB       LYS   4  -2.045   9.106  -4.104
   33   1HG   LYS   4          2HG       LYS   4  -3.262  10.909  -3.725
   34   2HG   LYS   4          3HG       LYS   4  -2.550  11.671  -5.149
   35   1HD   LYS   4          2HD       LYS   4  -4.464   9.917  -6.158
   36   2HD   LYS   4          3HD       LYS   4  -5.225  10.653  -4.744
   37   1HE   LYS   4          2HE       LYS   4  -5.019  12.812  -5.612
   38   2HE   LYS   4          3HE       LYS   4  -3.794  12.322  -6.782
   39   1HZ   LYS   4          1HZ       LYS   4  -5.345  11.539  -8.217
   40   2HZ   LYS   4          2HZ       LYS   4  -6.297  12.714  -7.460
   41   3HZ   LYS   4          3HZ       LYS   4  -6.435  11.091  -7.002
   42    H    ARG   5           HN       ARG   5  -2.167   8.864  -7.851
   43    HA   ARG   5           HA       ARG   5  -1.883   7.191  -9.346
   44   1HB   ARG   5          2HB       ARG   5   0.184   6.976 -10.183
   45   2HB   ARG   5          3HB       ARG   5   0.653   8.153  -8.968
   46   1HG   ARG   5          2HG       ARG   5   2.138   6.656  -8.279
   47   2HG   ARG   5          3HG       ARG   5   0.780   5.745  -7.619
   48   1HD   ARG   5          2HD       ARG   5   1.025   4.121  -9.129
   49   2HD   ARG   5          3HD       ARG   5   1.114   5.276 -10.458
   50    HE   ARG   5           HE       ARG   5   3.551   5.343  -9.106
   51   1HH1  ARG   5          2HH1      ARG   5   1.672   3.121 -11.023
   52   2HH1  ARG   5          1HH1      ARG   5   3.057   2.273 -11.628
   53   1HH2  ARG   5          2HH2      ARG   5   5.377   4.233  -9.895
   54   2HH2  ARG   5          1HH2      ARG   5   5.162   2.902 -10.983
   55    H    CYS   6           HN       CYS   6  -1.633   6.760  -6.054
   56    HA   CYS   6           HA       CYS   6  -2.077   5.030  -4.654
   57   1HB   CYS   6          2HB       CYS   6  -3.728   3.646  -5.320
   58   2HB   CYS   6          3HB       CYS   6  -3.716   4.611  -6.790
   59    H    THR   7           HN       THR   7  -0.911   3.439  -3.682
   60    HA   THR   7           HA       THR   7   1.024   2.310  -3.254
   61    HB   THR   7           HB       THR   7  -0.549   0.609  -4.143
   62    HG1  THR   7           1HG      THR   7   1.311  -0.863  -4.797
   63   1HG2  THR   7          1HG2      THR   7   0.823   1.313  -6.705
   64   2HG2  THR   7          2HG2      THR   7  -0.896   1.083  -6.384
   65   3HG2  THR   7          3HG2      THR   7   0.184  -0.311  -6.452
   66    H    ARG   8           HN       ARG   8   2.776   0.915  -4.929
   67    HA   ARG   8           HA       ARG   8   3.959   2.945  -6.671
   68   1HB   ARG   8          2HB       ARG   8   6.204   1.978  -5.512
   69   2HB   ARG   8          3HB       ARG   8   5.394   3.445  -4.984
   70   1HG   ARG   8          2HG       ARG   8   4.130   1.340  -3.629
   71   2HG   ARG   8          3HG       ARG   8   5.855   1.010  -3.550
   72   1HD   ARG   8          2HD       ARG   8   5.634   3.735  -3.053
   73   2HD   ARG   8          3HD       ARG   8   4.289   3.008  -2.175
   74    HE   ARG   8           HE       ARG   8   5.809   2.276  -0.659
   75   1HH1  ARG   8          2HH1      ARG   8   7.443   2.603  -3.724
   76   2HH1  ARG   8          1HH1      ARG   8   8.983   2.120  -3.096
   77   1HH2  ARG   8          2HH2      ARG   8   7.832   1.643   0.171
   78   2HH2  ARG   8          1HH2      ARG   8   9.204   1.574  -0.884
   79    H    GLY   9           HN       GLY   9   2.544   0.750  -7.465
   80   1HA   GLY   9          1HA       GLY   9   3.155  -0.587  -9.403
   81   2HA   GLY   9          2HA       GLY   9   4.657  -0.983  -8.576
   82    H    PHE  10           HN       PHE  10   1.905  -0.879  -6.583
   83    HA   PHE  10           HA       PHE  10   0.783  -2.462  -5.401
   84   1HB   PHE  10          2HB       PHE  10   0.183  -2.948  -7.965
   85   2HB   PHE  10          3HB       PHE  10   1.000  -4.461  -7.596
   86    HD1  PHE  10           1HD      PHE  10  -2.092  -2.966  -7.764
   87    HD2  PHE  10           2HD      PHE  10   0.214  -5.454  -5.193
   88    HE1  PHE  10           1HE      PHE  10  -4.161  -3.828  -6.747
   89    HE2  PHE  10           2HE      PHE  10  -1.851  -6.319  -4.172
   90    HZ   PHE  10           HZ       PHE  10  -4.041  -5.507  -4.949
   91    H    ARG  11           HN       ARG  11   2.777  -2.607  -4.060
   92    HA   ARG  11           HA       ARG  11   3.720  -5.354  -4.096
   93   1HB   ARG  11          2HB       ARG  11   6.077  -4.667  -3.797
   94   2HB   ARG  11          3HB       ARG  11   5.424  -4.217  -5.363
   95   1HG   ARG  11          2HG       ARG  11   6.017  -2.118  -5.015
   96   2HG   ARG  11          3HG       ARG  11   4.987  -2.053  -3.582
   97   1HD   ARG  11          2HD       ARG  11   6.815  -1.890  -2.333
   98   2HD   ARG  11          3HD       ARG  11   7.257  -3.518  -2.846
   99    HE   ARG  11           HE       ARG  11   8.281  -2.207  -4.843
  100   1HH1  ARG  11          2HH1      ARG  11   8.235  -1.212  -1.502
  101   2HH1  ARG  11          1HH1      ARG  11   9.709  -0.309  -1.618
  102   1HH2  ARG  11          2HH2      ARG  11  10.222  -1.024  -5.002
  103   2HH2  ARG  11          1HH2      ARG  11  10.837  -0.200  -3.607
  104    H    LYS  12           HN       LYS  12   1.958  -4.650  -2.294
  105    HA   LYS  12           HA       LYS  12   3.504  -4.238   0.181
  106   1HB   LYS  12          2HB       LYS  12   0.592  -3.599  -0.379
  107   2HB   LYS  12          3HB       LYS  12   1.336  -3.501   1.207
  108   1HG   LYS  12          2HG       LYS  12   1.181  -1.296   0.250
  109   2HG   LYS  12          3HG       LYS  12   2.874  -1.771   0.353
  110   1HD   LYS  12          2HD       LYS  12   2.302  -2.611  -2.139
  111   2HD   LYS  12          3HD       LYS  12   1.173  -1.264  -2.004
  112   1HE   LYS  12          2HE       LYS  12   3.964  -0.807  -1.113
  113   2HE   LYS  12          3HE       LYS  12   3.678  -0.955  -2.848
  114   1HZ   LYS  12          1HZ       LYS  12   2.656   1.018  -2.923
  115   2HZ   LYS  12          2HZ       LYS  12   3.420   1.321  -1.446
  116   3HZ   LYS  12          3HZ       LYS  12   1.820   0.775  -1.472
  117    H    LEU  13           HN       LEU  13   2.817  -5.653   2.021
  118    HA   LEU  13           HA       LEU  13   1.166  -7.934   1.241
  119   1HB   LEU  13          2HB       LEU  13   3.152  -9.381   2.214
  120   2HB   LEU  13          3HB       LEU  13   3.051  -8.952   0.516
  121    HG   LEU  13           HG       LEU  13   4.449  -6.841   1.720
  122   1HD1  LEU  13          1HD1      LEU  13   5.566  -9.488   2.634
  123   2HD1  LEU  13          2HD1      LEU  13   6.263  -7.889   2.894
  124   3HD1  LEU  13          3HD1      LEU  13   4.747  -8.328   3.680
  125   1HD2  LEU  13          1HD2      LEU  13   5.242  -9.184   0.010
  126   2HD2  LEU  13          2HD2      LEU  13   4.945  -7.516  -0.478
  127   3HD2  LEU  13          3HD2      LEU  13   6.383  -7.916   0.460
  128    H    GLY  14           HN       GLY  14   0.691  -9.439   2.940
  129   1HA   GLY  14          1HA       GLY  14   0.722 -10.092   5.242
  130   2HA   GLY  14          2HA       GLY  14   1.162  -8.448   5.671
  131    H    LYS  15           HN       LYS  15  -1.473  -9.640   3.589
  132    HA   LYS  15           HA       LYS  15  -3.646  -8.797   3.514
  133   1HB   LYS  15          2HB       LYS  15  -3.155 -10.760   5.587
  134   2HB   LYS  15          3HB       LYS  15  -4.553  -9.764   5.973
  135   1HG   LYS  15          2HG       LYS  15  -5.027 -10.326   3.369
  136   2HG   LYS  15          3HG       LYS  15  -4.187 -11.790   3.887
  137   1HD   LYS  15          2HD       LYS  15  -6.233 -10.826   5.757
  138   2HD   LYS  15          3HD       LYS  15  -6.856 -11.336   4.186
  139   1HE   LYS  15          2HE       LYS  15  -5.062 -13.321   4.812
  140   2HE   LYS  15          3HE       LYS  15  -5.765 -12.922   6.379
  141   1HZ   LYS  15          1HZ       LYS  15  -6.955 -14.242   4.113
  142   2HZ   LYS  15          2HZ       LYS  15  -7.927 -13.025   4.773
  143   3HZ   LYS  15          3HZ       LYS  15  -7.386 -14.297   5.748
  144    H    CYS  16           HN       CYS  16  -3.298  -6.533   3.655
  145    HA   CYS  16           HA       CYS  16  -3.468  -4.443   4.528
  146   1HB   CYS  16          2HB       CYS  16  -5.776  -5.779   5.189
  147   2HB   CYS  16          3HB       CYS  16  -5.238  -5.174   6.755
  148    H    THR  17           HN       THR  17  -1.239  -5.543   5.278
  149    HA   THR  17           HA       THR  17  -0.815  -5.746   8.081
  150    HB   THR  17           HB       THR  17   0.726  -6.050   5.636
  151    HG1  THR  17           1HG      THR  17   1.290  -7.015   8.255
  152   1HG2  THR  17          1HG2      THR  17   2.143  -4.812   8.004
  153   2HG2  THR  17          2HG2      THR  17   1.968  -4.104   6.398
  154   3HG2  THR  17          3HG2      THR  17   2.940  -5.559   6.619
  155    H    THR  18           HN       THR  18   0.442  -4.324   9.407
  156    HA   THR  18           HA       THR  18  -0.296  -1.644   9.320
  157    HB   THR  18           HB       THR  18   1.800  -3.163  10.805
  158    HG1  THR  18           1HG      THR  18   0.571  -2.491  12.528
  159   1HG2  THR  18          1HG2      THR  18   2.832  -0.976  10.007
  160   2HG2  THR  18          2HG2      THR  18   2.820  -1.250  11.751
  161   3HG2  THR  18          3HG2      THR  18   1.638  -0.164  11.020
  162    H    LEU  19           HN       LEU  19   2.849  -3.095   8.497
  163    HA   LEU  19           HA       LEU  19   4.168  -0.850   7.596
  164   1HB   LEU  19          2HB       LEU  19   4.740  -3.505   7.702
  165   2HB   LEU  19          3HB       LEU  19   4.580  -3.276   5.971
  166    HG   LEU  19           HG       LEU  19   6.919  -3.073   6.946
  167   1HD1  LEU  19          1HD1      LEU  19   5.796  -0.774   5.351
  168   2HD1  LEU  19          2HD1      LEU  19   7.503  -1.203   5.474
  169   3HD1  LEU  19          3HD1      LEU  19   6.368  -2.313   4.707
  170   1HD2  LEU  19          1HD2      LEU  19   6.282  -0.265   7.641
  171   2HD2  LEU  19          2HD2      LEU  19   5.842  -1.510   8.809
  172   3HD2  LEU  19          3HD2      LEU  19   7.520  -1.342   8.289
  173    H    GLU  20           HN       GLU  20   1.626  -2.651   6.083
  174    HA   GLU  20           HA       GLU  20   2.019  -1.562   3.473
  175   1HB   GLU  20          2HB       GLU  20   0.711  -3.321   3.024
  176   2HB   GLU  20          3HB       GLU  20   0.259  -3.485   4.712
  177   1HG   GLU  20          2HG       GLU  20  -1.769  -3.187   3.653
  178   2HG   GLU  20          3HG       GLU  20  -1.389  -1.566   4.232
  179    H    GLU  21           HN       GLU  21  -0.350  -0.922   6.069
  180    HA   GLU  21           HA       GLU  21  -1.633   1.217   4.763
  181   1HB   GLU  21          2HB       GLU  21  -2.716   1.651   6.796
  182   2HB   GLU  21          3HB       GLU  21  -2.381  -0.073   6.860
  183   1HG   GLU  21          2HG       GLU  21  -0.219   0.705   8.108
  184   2HG   GLU  21          3HG       GLU  21  -1.171   2.156   8.411
  185    H    GLU  22           HN       GLU  22   1.260   0.994   6.707
  186    HA   GLU  22           HA       GLU  22   1.667   3.796   7.023
  187   1HB   GLU  22          2HB       GLU  22   3.077   1.311   7.688
  188   2HB   GLU  22          3HB       GLU  22   4.150   2.638   7.272
  189   1HG   GLU  22          2HG       GLU  22   2.089   3.543   9.052
  190   2HG   GLU  22          3HG       GLU  22   2.915   2.140   9.724
  191    H    LYS  23           HN       LYS  23   2.653   1.340   4.700
  192    HA   LYS  23           HA       LYS  23   4.590   2.745   3.286
  193   1HB   LYS  23          2HB       LYS  23   4.125   0.389   2.839
  194   2HB   LYS  23          3HB       LYS  23   2.518   0.794   2.249
  195   1HG   LYS  23          2HG       LYS  23   3.358   0.977   0.198
  196   2HG   LYS  23          3HG       LYS  23   4.357   2.323   0.770
  197   1HD   LYS  23          2HD       LYS  23   5.703   0.550  -0.253
  198   2HD   LYS  23          3HD       LYS  23   6.105   0.778   1.445
  199   1HE   LYS  23          2HE       LYS  23   4.160  -1.120   1.584
  200   2HE   LYS  23          3HE       LYS  23   4.947  -1.536   0.062
  201   1HZ   LYS  23          1HZ       LYS  23   6.840  -2.144   1.101
  202   2HZ   LYS  23          2HZ       LYS  23   5.798  -2.410   2.406
  203   3HZ   LYS  23          3HZ       LYS  23   6.697  -0.980   2.321
  204    H    CYS  24           HN       CYS  24   1.087   2.652   2.899
  205    HA   CYS  24           HA       CYS  24   0.945   4.446   0.733
  206   1HB   CYS  24          2HB       CYS  24  -1.252   4.135   2.749
  207   2HB   CYS  24          3HB       CYS  24  -1.368   4.327   1.001
  208    H    LYS  25           HN       LYS  25   0.961   4.916   4.218
  209    HA   LYS  25           HA       LYS  25   0.193   7.658   4.129
  210   1HB   LYS  25          2HB       LYS  25   0.805   5.705   6.137
  211   2HB   LYS  25          3HB       LYS  25   1.688   7.185   6.481
  212   1HG   LYS  25          2HG       LYS  25  -0.419   7.242   7.620
  213   2HG   LYS  25          3HG       LYS  25  -0.434   8.443   6.328
  214   1HD   LYS  25          2HD       LYS  25  -1.425   5.779   5.571
  215   2HD   LYS  25          3HD       LYS  25  -2.407   6.631   6.764
  216   1HE   LYS  25          2HE       LYS  25  -1.501   8.207   4.433
  217   2HE   LYS  25          3HE       LYS  25  -2.689   6.946   4.111
  218   1HZ   LYS  25          1HZ       LYS  25  -3.234   9.453   5.008
  219   2HZ   LYS  25          2HZ       LYS  25  -3.343   8.520   6.413
  220   3HZ   LYS  25          3HZ       LYS  25  -4.292   8.133   5.068
  221    H    THR  26           HN       THR  26   3.318   6.332   5.211
  222    HA   THR  26           HA       THR  26   4.769   8.665   5.090
  223    HB   THR  26           HB       THR  26   6.798   7.236   4.857
  224    HG1  THR  26           1HG      THR  26   6.573   5.291   4.072
  225   1HG2  THR  26          1HG2      THR  26   6.420   5.944   6.952
  226   2HG2  THR  26          2HG2      THR  26   4.708   6.354   6.850
  227   3HG2  THR  26          3HG2      THR  26   5.908   7.628   7.062
  228    H    LEU  27           HN       LEU  27   3.993   6.462   2.447
  229    HA   LEU  27           HA       LEU  27   5.798   7.756   0.604
  230   1HB   LEU  27          2HB       LEU  27   3.665   5.665   0.277
  231   2HB   LEU  27          3HB       LEU  27   4.495   6.360  -1.094
  232    HG   LEU  27           HG       LEU  27   5.268   4.090  -0.120
  233   1HD1  LEU  27          1HD1      LEU  27   6.604   6.216  -1.456
  234   2HD1  LEU  27          2HD1      LEU  27   7.745   5.361  -0.415
  235   3HD1  LEU  27          3HD1      LEU  27   6.817   4.471  -1.623
  236   1HD2  LEU  27          1HD2      LEU  27   6.982   4.228   1.574
  237   2HD2  LEU  27          2HD2      LEU  27   6.721   5.966   1.723
  238   3HD2  LEU  27          3HD2      LEU  27   5.448   4.842   2.192
  239    H    TYR  28           HN       TYR  28   2.293   7.666   1.149
  240    HA   TYR  28           HA       TYR  28   2.057  10.108  -0.471
  241   1HB   TYR  28          2HB       TYR  28  -0.080   8.006  -0.554
  242   2HB   TYR  28          3HB       TYR  28   0.291   9.265  -1.732
  243    HD1  TYR  28           1HD      TYR  28   0.980   5.850  -0.670
  244    HD2  TYR  28           2HD      TYR  28   2.273   9.028  -3.197
  245    HE1  TYR  28           1HE      TYR  28   2.379   4.270  -1.947
  246    HE2  TYR  28           2HE      TYR  28   3.642   7.453  -4.491
  247    HH   TYR  28           HH       TYR  28   4.082   5.287  -4.871
  248    HA   PRO  29           HA       PRO  29  -0.048  11.086   3.447
  249   1HB   PRO  29          2HB       PRO  29   0.366  13.856   2.632
  250   2HB   PRO  29          3HB       PRO  29   1.015  13.006   4.036
  251   1HG   PRO  29          2HG       PRO  29   2.563  13.800   1.958
  252   2HG   PRO  29          3HG       PRO  29   2.920  12.359   2.925
  253   1HD   PRO  29          2HD       PRO  29   1.616  12.559   0.233
  254   2HD   PRO  29          3HD       PRO  29   2.832  11.400   0.811
  255    H    ARG  30           HN       ARG  30  -1.887  10.214   2.047
  256    HA   ARG  30           HA       ARG  30  -3.592  12.434   1.121
  257   1HB   ARG  30          2HB       ARG  30  -3.861   9.567   0.236
  258   2HB   ARG  30          3HB       ARG  30  -4.555  11.006  -0.504
  259   1HG   ARG  30          2HG       ARG  30  -1.607  10.404  -0.406
  260   2HG   ARG  30          3HG       ARG  30  -2.661  10.035  -1.772
  261   1HD   ARG  30          2HD       ARG  30  -2.051  12.763  -0.641
  262   2HD   ARG  30          3HD       ARG  30  -1.496  12.112  -2.181
  263    HE   ARG  30           HE       ARG  30  -3.994  12.024  -2.717
  264   1HH1  ARG  30          2HH1      ARG  30  -2.515  14.409  -0.652
  265   2HH1  ARG  30          1HH1      ARG  30  -3.695  15.628  -0.997
  266   1HH2  ARG  30          2HH2      ARG  30  -5.555  13.624  -3.176
  267   2HH2  ARG  30          1HH2      ARG  30  -5.425  15.181  -2.428
  268    H    GLY  31           HN       GLY  31  -5.978  11.544   0.996
  269   1HA   GLY  31          1HA       GLY  31  -6.618  10.589   3.709
  270   2HA   GLY  31          2HA       GLY  31  -7.678  11.572   2.703
  271    H    GLN  32           HN       GLN  32  -6.670   9.753   0.418
  272    HA   GLN  32           HA       GLN  32  -8.521   7.534   0.952
  273   1HB   GLN  32          2HB       GLN  32  -7.895   8.377  -1.843
  274   2HB   GLN  32          3HB       GLN  32  -9.356   7.640  -1.201
  275   1HG   GLN  32          2HG       GLN  32  -9.116  10.153   0.038
  276   2HG   GLN  32          3HG       GLN  32  -8.780  10.394  -1.676
  277   1HE2  GLN  32          1HE2      GLN  32 -11.100  11.044   0.157
  278   2HE2  GLN  32          2HE2      GLN  32 -12.484  10.459  -0.696
  279    H    CYS  33           HN       CYS  33  -5.462   8.094   1.044
  280    HA   CYS  33           HA       CYS  33  -4.568   5.812  -0.572
  281   1HB   CYS  33          2HB       CYS  33  -3.303   7.946  -0.786
  282   2HB   CYS  33          3HB       CYS  33  -2.899   7.850   0.923
  283    H    THR  34           HN       THR  34  -5.096   4.034   0.602
  284    HA   THR  34           HA       THR  34  -3.682   3.701   3.130
  285    HB   THR  34           HB       THR  34  -5.981   4.517   3.636
  286    HG1  THR  34           1HG      THR  34  -4.643   2.830   4.895
  287   1HG2  THR  34          1HG2      THR  34  -6.913   1.821   2.652
  288   2HG2  THR  34          2HG2      THR  34  -7.061   3.304   1.710
  289   3HG2  THR  34          3HG2      THR  34  -7.898   3.154   3.256
  290    H    CYS  35           HN       CYS  35  -5.317   1.180   3.572
  291    HA   CYS  35           HA       CYS  35  -3.735  -0.471   1.755
  292   1HB   CYS  35          2HB       CYS  35  -3.337  -1.373   3.807
  293   2HB   CYS  35          3HB       CYS  35  -4.874  -0.824   4.466
  294    H    SER  36           HN       SER  36  -4.564  -1.657   0.191
  295    HA   SER  36           HA       SER  36  -7.451  -2.187   0.149
  296   1HB   SER  36          2HB       SER  36  -6.945  -0.250  -1.331
  297   2HB   SER  36          3HB       SER  36  -5.842  -1.274  -2.249
  298    HG   SER  36           HG       SER  36  -8.127  -2.571  -2.087
  299    H    ASP  37           HN       ASP  37  -7.890  -4.253  -0.155
  300    HA   ASP  37           HA       ASP  37  -6.093  -5.930  -1.736
  301   1HB   ASP  37          2HB       ASP  37  -5.411  -6.134   0.661
  302   2HB   ASP  37          3HB       ASP  37  -7.030  -6.720   1.030
  303    H    SER  38           HN       SER  38  -7.073  -7.929  -2.431
  304    HA   SER  38           HA       SER  38  -9.987  -7.687  -2.638
  305   1HB   SER  38          2HB       SER  38  -9.053  -9.763  -4.317
  306   2HB   SER  38          3HB       SER  38  -9.629  -8.168  -4.796
  307    HG   SER  38           HG       SER  38  -7.635  -7.532  -5.103
  308    H    LYS  39           HN       LYS  39  -7.623 -10.349  -2.450
  309    HA   LYS  39           HA       LYS  39  -8.744 -11.533  -0.153
  310   1HB   LYS  39          2HB       LYS  39 -10.276 -12.002  -2.429
  311   2HB   LYS  39          3HB       LYS  39  -9.308 -13.460  -2.260
  312   1HG   LYS  39          2HG       LYS  39 -10.348 -14.100  -0.355
  313   2HG   LYS  39          3HG       LYS  39 -10.617 -12.442   0.186
  314   1HD   LYS  39          2HD       LYS  39 -12.092 -13.019  -2.235
  315   2HD   LYS  39          3HD       LYS  39 -12.493 -14.159  -0.949
  316   1HE   LYS  39          2HE       LYS  39 -13.617 -12.612   0.203
  317   2HE   LYS  39          3HE       LYS  39 -12.331 -11.422   0.008
  318   1HZ   LYS  39          1HZ       LYS  39 -13.460 -11.596  -2.467
  319   2HZ   LYS  39          2HZ       LYS  39 -13.737 -10.370  -1.335
  320   3HZ   LYS  39          3HZ       LYS  39 -14.791 -11.690  -1.426
  321    H    MET  40           HN       MET  40  -6.175 -10.903  -1.010
  322    HA   MET  40           HA       MET  40  -4.956 -13.569  -1.032
  323   1HB   MET  40          2HB       MET  40  -4.103 -11.275  -2.808
  324   2HB   MET  40          3HB       MET  40  -3.237 -12.796  -2.631
  325   1HG   MET  40          2HG       MET  40  -5.167 -13.996  -3.531
  326   2HG   MET  40          3HG       MET  40  -6.023 -12.467  -3.722
  327   1HE   MET  40          1HE       MET  40  -3.096 -14.496  -6.386
  328   2HE   MET  40          2HE       MET  40  -3.912 -15.034  -4.917
  329   3HE   MET  40          3HE       MET  40  -4.834 -14.797  -6.401
  330    H    ASN  41           HN       ASN  41  -2.617 -13.480  -0.426
  331    HA   ASN  41           HA       ASN  41  -2.293 -12.090   2.002
  332   1HB   ASN  41          2HB       ASN  41  -1.183 -14.271   1.289
  333   2HB   ASN  41          3HB       ASN  41  -0.051 -13.281   0.372
  334   1HD2  ASN  41          1HD2      ASN  41   1.369 -14.541   1.909
  335   2HD2  ASN  41          2HD2      ASN  41   1.743 -13.777   3.412
  336    H    THR  42           HN       THR  42  -1.399 -11.314  -1.289
  337    HA   THR  42           HA       THR  42   0.144  -9.012  -0.335
  338    HB   THR  42           HB       THR  42   0.256  -8.892  -3.083
  339    HG1  THR  42           1HG      THR  42   0.233 -10.878  -3.877
  340   1HG2  THR  42          1HG2      THR  42   2.448 -10.452  -2.208
  341   2HG2  THR  42          2HG2      THR  42   1.996  -9.391  -0.874
  342   3HG2  THR  42          3HG2      THR  42   2.382  -8.706  -2.453
  343    H    HIS  43           HN       HIS  43  -0.356  -6.973  -0.781
  344    HA   HIS  43           HA       HIS  43  -2.663  -6.237  -2.392
  345   1HB   HIS  43          2HB       HIS  43  -3.414  -4.794  -0.347
  346   2HB   HIS  43          3HB       HIS  43  -3.862  -6.496  -0.380
  347    HD1  HIS  43           1HD      HIS  43  -1.898  -8.038   0.861
  348    HD2  HIS  43           2HD      HIS  43  -2.333  -4.081   2.028
  349    HE1  HIS  43           1HE      HIS  43  -0.811  -7.866   3.097
  350    HE2  HIS  43           2HE      HIS  43  -1.153  -5.492   3.832
  351    H    SER  44           HN       SER  44  -2.856  -3.604  -1.911
  352    HA   SER  44           HA       SER  44  -0.261  -2.479  -1.395
  353   1HB   SER  44          2HB       SER  44   0.078  -1.383  -3.522
  354   2HB   SER  44          3HB       SER  44   0.004  -3.134  -3.748
  355    HG   SER  44           HG       SER  44  -2.337  -1.592  -4.012
  356    H    CYS  45           HN       CYS  45  -0.619   0.004  -2.614
  357    HA   CYS  45           HA       CYS  45  -2.719   1.093  -0.892
  358   1HB   CYS  45          2HB       CYS  45  -0.431   2.511  -2.271
  359   2HB   CYS  45          3HB       CYS  45  -1.497   3.201  -1.048
  360    H    ASP  46           HN       ASP  46  -4.430   2.204  -1.661
  361    HA   ASP  46           HA       ASP  46  -4.585   2.583  -4.582
  362   1HB   ASP  46          2HB       ASP  46  -6.124   0.841  -3.416
  363   2HB   ASP  46          3HB       ASP  46  -7.009   2.247  -2.831
  364    H    CYS  47           HN       CYS  47  -3.427   4.580  -3.316
  365    HA   CYS  47           HA       CYS  47  -5.031   6.564  -2.159
  366   1HB   CYS  47          2HB       CYS  47  -2.809   7.433  -3.911
  367   2HB   CYS  47          3HB       CYS  47  -3.166   7.878  -2.246
  368    H    LYS  48           HN       LYS  48  -4.630   5.520  -5.401
  369    HA   LYS  48           HA       LYS  48  -6.582   7.508  -6.292
  370   1HB   LYS  48          2HB       LYS  48  -4.001   7.969  -6.847
  371   2HB   LYS  48          3HB       LYS  48  -4.377   6.892  -8.185
  372   1HG   LYS  48          2HG       LYS  48  -6.410   8.919  -7.851
  373   2HG   LYS  48          3HG       LYS  48  -4.808   9.624  -8.076
  374   1HD   LYS  48          2HD       LYS  48  -4.673   7.812  -9.995
  375   2HD   LYS  48          3HD       LYS  48  -6.431   7.950  -9.924
  376   1HE   LYS  48          2HE       LYS  48  -6.327  10.302 -10.362
  377   2HE   LYS  48          3HE       LYS  48  -4.569  10.300 -10.224
  378   1HZ   LYS  48          1HZ       LYS  48  -6.103   9.894 -12.509
  379   2HZ   LYS  48          2HZ       LYS  48  -5.351   8.419 -12.164
  380   3HZ   LYS  48          3HZ       LYS  48  -4.418   9.815 -12.365
  381    H    SER  49           HN       SER  49  -8.053   6.743  -7.635
  382    HA   SER  49           HA       SER  49  -8.705   4.122  -7.883
  383   1HB   SER  49          2HB       SER  49  -9.581   6.559  -9.046
  384   2HB   SER  49          3HB       SER  49  -9.453   5.373 -10.346
  385    HG   SER  49           HG       SER  49 -11.359   5.590  -8.527
  386    H    CYS  50           HN       CYS  50  -7.157   2.648  -8.372
  387    HA   CYS  50           HA       CYS  50  -5.998   2.797 -11.076
  388   1HB   CYS  50          2HB       CYS  50  -4.078   1.430 -10.043
  389   2HB   CYS  50          3HB       CYS  50  -4.147   3.149  -9.674
  Start of MODEL   14
    1   1H    ASN   1          1H        ASN   1  -6.561  16.944  -6.363
    2   2H    ASN   1          2H        ASN   1  -6.376  15.451  -7.135
    3   3H    ASN   1          3H        ASN   1  -7.920  15.999  -6.715
    4    HA   ASN   1           HA       ASN   1  -8.014  17.543  -8.384
    5   1HB   ASN   1          2HB       ASN   1  -5.555  18.217  -7.592
    6   2HB   ASN   1          3HB       ASN   1  -5.116  17.362  -9.069
    7   1HD2  ASN   1          1HD2      ASN   1  -6.520  18.007 -10.998
    8   2HD2  ASN   1          2HD2      ASN   1  -6.775  19.703 -11.206
    9    H    LEU   2           HN       LEU   2  -5.224  15.500  -9.244
   10    HA   LEU   2           HA       LEU   2  -6.821  13.669 -10.762
   11   1HB   LEU   2          2HB       LEU   2  -6.519  15.859 -12.155
   12   2HB   LEU   2          3HB       LEU   2  -4.895  15.255 -12.418
   13    HG   LEU   2           HG       LEU   2  -6.147  13.072 -13.176
   14   1HD1  LEU   2          1HD1      LEU   2  -8.228  15.170 -13.761
   15   2HD1  LEU   2          2HD1      LEU   2  -8.284  13.460 -14.187
   16   3HD1  LEU   2          3HD1      LEU   2  -8.369  13.951 -12.495
   17   1HD2  LEU   2          1HD2      LEU   2  -6.543  14.678 -15.416
   18   2HD2  LEU   2          2HD2      LEU   2  -5.242  15.460 -14.519
   19   3HD2  LEU   2          3HD2      LEU   2  -5.089  13.771 -15.001
   20    H    MET   3           HN       MET   3  -5.858  11.824 -10.285
   21    HA   MET   3           HA       MET   3  -4.292  10.202 -10.024
   22   1HB   MET   3          2HB       MET   3  -3.013  12.065 -11.927
   23   2HB   MET   3          3HB       MET   3  -1.920  10.977 -11.083
   24   1HG   MET   3          2HG       MET   3  -2.391   9.617 -12.802
   25   2HG   MET   3          3HG       MET   3  -3.810   9.228 -11.831
   26   1HE   MET   3          1HE       MET   3  -5.155   8.547 -14.683
   27   2HE   MET   3          2HE       MET   3  -4.260   9.526 -15.846
   28   3HE   MET   3          3HE       MET   3  -3.393   8.603 -14.620
   29    H    LYS   4           HN       LYS   4  -3.320   9.684  -8.187
   30    HA   LYS   4           HA       LYS   4  -1.862  11.795  -6.746
   31   1HB   LYS   4          2HB       LYS   4  -3.191   9.333  -5.600
   32   2HB   LYS   4          3HB       LYS   4  -2.409  10.613  -4.684
   33   1HG   LYS   4          2HG       LYS   4  -4.528  11.341  -4.475
   34   2HG   LYS   4          3HG       LYS   4  -4.189  12.074  -6.044
   35   1HD   LYS   4          2HD       LYS   4  -4.996   9.482  -6.641
   36   2HD   LYS   4          3HD       LYS   4  -6.078   9.995  -5.344
   37   1HE   LYS   4          2HE       LYS   4  -5.930  12.200  -7.019
   38   2HE   LYS   4          3HE       LYS   4  -5.981  10.827  -8.123
   39   1HZ   LYS   4          1HZ       LYS   4  -7.981  11.675  -6.132
   40   2HZ   LYS   4          2HZ       LYS   4  -7.924  10.064  -6.643
   41   3HZ   LYS   4          3HZ       LYS   4  -8.197  11.296  -7.767
   42    H    ARG   5           HN       ARG   5  -1.765   8.363  -5.972
   43    HA   ARG   5           HA       ARG   5   0.602   7.693  -7.309
   44   1HB   ARG   5          2HB       ARG   5   1.013   9.353  -5.028
   45   2HB   ARG   5          3HB       ARG   5   1.609   7.743  -4.645
   46   1HG   ARG   5          2HG       ARG   5   3.306   7.867  -6.130
   47   2HG   ARG   5          3HG       ARG   5   2.379   8.837  -7.277
   48   1HD   ARG   5          2HD       ARG   5   2.602  10.597  -5.258
   49   2HD   ARG   5          3HD       ARG   5   4.086   9.677  -5.016
   50    HE   ARG   5           HE       ARG   5   3.412  11.333  -7.326
   51   1HH1  ARG   5          2HH1      ARG   5   5.653   9.180  -5.745
   52   2HH1  ARG   5          1HH1      ARG   5   6.988   9.620  -6.757
   53   1HH2  ARG   5          2HH2      ARG   5   5.164  11.915  -8.663
   54   2HH2  ARG   5          1HH2      ARG   5   6.710  11.173  -8.416
   55    H    CYS   6           HN       CYS   6  -1.910   6.509  -6.646
   56    HA   CYS   6           HA       CYS   6  -2.030   4.744  -4.569
   57   1HB   CYS   6          2HB       CYS   6  -3.497   3.387  -5.905
   58   2HB   CYS   6          3HB       CYS   6  -3.765   5.068  -6.350
   59    H    THR   7           HN       THR   7  -0.495   3.418  -3.796
   60    HA   THR   7           HA       THR   7   1.145   1.857  -3.665
   61    HB   THR   7           HB       THR   7   0.833  -0.086  -4.820
   62    HG1  THR   7           1HG      THR   7   1.509   0.396  -6.843
   63   1HG2  THR   7          1HG2      THR   7  -1.694   1.262  -5.745
   64   2HG2  THR   7          2HG2      THR   7  -1.407   0.838  -4.057
   65   3HG2  THR   7          3HG2      THR   7  -1.460  -0.425  -5.288
   66    H    ARG   8           HN       ARG   8   3.202   1.155  -4.475
   67    HA   ARG   8           HA       ARG   8   4.385   3.077  -6.357
   68   1HB   ARG   8          2HB       ARG   8   5.428   1.515  -4.038
   69   2HB   ARG   8          3HB       ARG   8   6.540   1.851  -5.357
   70   1HG   ARG   8          2HG       ARG   8   6.650   4.060  -4.886
   71   2HG   ARG   8          3HG       ARG   8   4.979   4.136  -4.322
   72   1HD   ARG   8          2HD       ARG   8   6.322   4.472  -2.408
   73   2HD   ARG   8          3HD       ARG   8   5.736   2.814  -2.306
   74    HE   ARG   8           HE       ARG   8   7.895   2.083  -2.468
   75   1HH1  ARG   8          2HH1      ARG   8   7.752   5.400  -3.530
   76   2HH1  ARG   8          1HH1      ARG   8   9.470   5.561  -3.673
   77   1HH2  ARG   8          2HH2      ARG   8  10.158   2.290  -2.651
   78   2HH2  ARG   8          1HH2      ARG   8  10.837   3.796  -3.173
   79    H    GLY   9           HN       GLY   9   2.762   0.843  -7.121
   80   1HA   GLY   9          1HA       GLY   9   3.198  -0.253  -9.285
   81   2HA   GLY   9          2HA       GLY   9   4.746  -0.756  -8.614
   82    H    PHE  10           HN       PHE  10   2.116  -0.770  -6.448
   83    HA   PHE  10           HA       PHE  10   0.941  -2.410  -5.396
   84   1HB   PHE  10          2HB       PHE  10   0.499  -2.867  -8.032
   85   2HB   PHE  10          3HB       PHE  10   1.249  -4.391  -7.575
   86    HD1  PHE  10           1HD      PHE  10  -1.778  -2.822  -7.991
   87    HD2  PHE  10           2HD      PHE  10   0.270  -5.314  -5.215
   88    HE1  PHE  10           1HE      PHE  10  -3.937  -3.610  -7.113
   89    HE2  PHE  10           2HE      PHE  10  -1.886  -6.106  -4.332
   90    HZ   PHE  10           HZ       PHE  10  -3.992  -5.253  -5.281
   91    H    ARG  11           HN       ARG  11   2.658  -2.712  -3.855
   92    HA   ARG  11           HA       ARG  11   3.763  -5.366  -4.020
   93   1HB   ARG  11          2HB       ARG  11   6.100  -4.605  -3.589
   94   2HB   ARG  11          3HB       ARG  11   5.494  -4.199  -5.186
   95   1HG   ARG  11          2HG       ARG  11   6.102  -2.105  -4.818
   96   2HG   ARG  11          3HG       ARG  11   4.861  -2.010  -3.565
   97   1HD   ARG  11          2HD       ARG  11   6.399  -1.928  -1.966
   98   2HD   ARG  11          3HD       ARG  11   7.167  -3.394  -2.575
   99    HE   ARG  11           HE       ARG  11   7.950  -0.653  -3.125
  100   1HH1  ARG  11          2HH1      ARG  11   8.285  -4.027  -3.922
  101   2HH1  ARG  11          1HH1      ARG  11   9.816  -3.823  -4.706
  102   1HH2  ARG  11          2HH2      ARG  11   9.965  -0.373  -4.156
  103   2HH2  ARG  11          1HH2      ARG  11  10.772  -1.745  -4.838
  104    H    LYS  12           HN       LYS  12   1.936  -4.697  -2.234
  105    HA   LYS  12           HA       LYS  12   3.422  -4.341   0.288
  106   1HB   LYS  12          2HB       LYS  12   0.503  -3.796  -0.335
  107   2HB   LYS  12          3HB       LYS  12   1.191  -3.730   1.277
  108   1HG   LYS  12          2HG       LYS  12   0.918  -1.502   0.255
  109   2HG   LYS  12          3HG       LYS  12   2.597  -1.867   0.652
  110   1HD   LYS  12          2HD       LYS  12   3.164  -2.195  -1.606
  111   2HD   LYS  12          3HD       LYS  12   1.474  -2.326  -2.096
  112   1HE   LYS  12          2HE       LYS  12   1.279  -0.118  -2.348
  113   2HE   LYS  12          3HE       LYS  12   2.048   0.203  -0.794
  114   1HZ   LYS  12          1HZ       LYS  12   3.690  -0.614  -3.095
  115   2HZ   LYS  12          2HZ       LYS  12   4.125   0.307  -1.744
  116   3HZ   LYS  12          3HZ       LYS  12   3.174   0.992  -2.964
  117    H    LEU  13           HN       LEU  13   2.735  -5.825   2.084
  118    HA   LEU  13           HA       LEU  13   1.198  -8.151   1.201
  119   1HB   LEU  13          2HB       LEU  13   3.155  -9.574   2.218
  120   2HB   LEU  13          3HB       LEU  13   3.168  -9.067   0.540
  121    HG   LEU  13           HG       LEU  13   4.434  -7.039   2.102
  122   1HD1  LEU  13          1HD1      LEU  13   6.399  -8.442   2.832
  123   2HD1  LEU  13          2HD1      LEU  13   4.939  -8.592   3.809
  124   3HD1  LEU  13          3HD1      LEU  13   5.353  -9.850   2.645
  125   1HD2  LEU  13          1HD2      LEU  13   6.175  -7.308   0.551
  126   2HD2  LEU  13          2HD2      LEU  13   5.763  -8.997   0.251
  127   3HD2  LEU  13          3HD2      LEU  13   4.707  -7.714  -0.339
  128    H    GLY  14           HN       GLY  14   0.586  -9.629   2.838
  129   1HA   GLY  14          1HA       GLY  14   0.375 -10.346   5.088
  130   2HA   GLY  14          2HA       GLY  14   1.010  -8.797   5.618
  131    H    LYS  15           HN       LYS  15  -1.781  -9.992   3.716
  132    HA   LYS  15           HA       LYS  15  -3.800  -8.749   3.474
  133   1HB   LYS  15          2HB       LYS  15  -3.824 -10.357   6.026
  134   2HB   LYS  15          3HB       LYS  15  -5.260  -9.751   5.221
  135   1HG   LYS  15          2HG       LYS  15  -5.259 -11.398   3.734
  136   2HG   LYS  15          3HG       LYS  15  -3.532 -11.218   3.422
  137   1HD   LYS  15          2HD       LYS  15  -2.969 -12.850   4.875
  138   2HD   LYS  15          3HD       LYS  15  -4.224 -12.392   6.030
  139   1HE   LYS  15          2HE       LYS  15  -5.041 -13.629   3.449
  140   2HE   LYS  15          3HE       LYS  15  -4.345 -14.664   4.695
  141   1HZ   LYS  15          1HZ       LYS  15  -6.795 -14.504   4.781
  142   2HZ   LYS  15          2HZ       LYS  15  -6.659 -12.856   5.135
  143   3HZ   LYS  15          3HZ       LYS  15  -6.048 -14.006   6.215
  144    H    CYS  16           HN       CYS  16  -3.392  -6.541   3.664
  145    HA   CYS  16           HA       CYS  16  -3.429  -4.458   4.581
  146   1HB   CYS  16          2HB       CYS  16  -5.815  -5.448   5.074
  147   2HB   CYS  16          3HB       CYS  16  -5.259  -5.437   6.745
  148    H    THR  17           HN       THR  17  -1.194  -5.342   5.205
  149    HA   THR  17           HA       THR  17  -0.729  -5.765   8.011
  150    HB   THR  17           HB       THR  17   0.751  -6.034   5.519
  151    HG1  THR  17           1HG      THR  17   1.548  -7.773   6.613
  152   1HG2  THR  17          1HG2      THR  17   2.183  -4.819   7.884
  153   2HG2  THR  17          2HG2      THR  17   2.136  -4.225   6.224
  154   3HG2  THR  17          3HG2      THR  17   3.008  -5.710   6.605
  155    H    THR  18           HN       THR  18   0.665  -4.420   9.311
  156    HA   THR  18           HA       THR  18  -0.034  -1.736   9.365
  157    HB   THR  18           HB       THR  18   2.280  -3.236  10.567
  158    HG1  THR  18           1HG      THR  18   0.201  -3.430  11.522
  159   1HG2  THR  18          1HG2      THR  18   3.193  -1.341  11.558
  160   2HG2  THR  18          2HG2      THR  18   1.751  -0.369  11.262
  161   3HG2  THR  18          3HG2      THR  18   2.829  -0.775   9.926
  162    H    LEU  19           HN       LEU  19   3.245  -2.906   8.639
  163    HA   LEU  19           HA       LEU  19   4.349  -0.670   7.576
  164   1HB   LEU  19          2HB       LEU  19   5.008  -3.377   7.669
  165   2HB   LEU  19          3HB       LEU  19   5.088  -2.964   5.967
  166    HG   LEU  19           HG       LEU  19   7.257  -2.760   7.200
  167   1HD1  LEU  19          1HD1      LEU  19   7.592  -1.522   5.374
  168   2HD1  LEU  19          2HD1      LEU  19   5.994  -0.784   5.474
  169   3HD1  LEU  19          3HD1      LEU  19   7.328  -0.128   6.422
  170   1HD2  LEU  19          1HD2      LEU  19   7.331  -1.693   9.141
  171   2HD2  LEU  19          2HD2      LEU  19   6.872  -0.195   8.329
  172   3HD2  LEU  19          3HD2      LEU  19   5.628  -1.262   8.983
  173    H    GLU  20           HN       GLU  20   1.888  -2.611   6.123
  174    HA   GLU  20           HA       GLU  20   2.284  -1.637   3.460
  175   1HB   GLU  20          2HB       GLU  20   1.224  -3.738   3.611
  176   2HB   GLU  20          3HB       GLU  20   0.105  -3.180   4.844
  177   1HG   GLU  20          2HG       GLU  20   0.025  -1.970   2.127
  178   2HG   GLU  20          3HG       GLU  20  -0.690  -3.546   2.422
  179    H    GLU  21           HN       GLU  21  -0.388  -1.193   5.760
  180    HA   GLU  21           HA       GLU  21  -1.638   0.955   4.492
  181   1HB   GLU  21          2HB       GLU  21  -2.715   1.418   6.607
  182   2HB   GLU  21          3HB       GLU  21  -2.597  -0.323   6.398
  183   1HG   GLU  21          2HG       GLU  21  -0.958  -0.537   8.020
  184   2HG   GLU  21          3HG       GLU  21  -0.534   1.173   7.956
  185    H    GLU  22           HN       GLU  22   1.216   0.789   6.456
  186    HA   GLU  22           HA       GLU  22   1.457   3.606   6.926
  187   1HB   GLU  22          2HB       GLU  22   2.965   1.157   7.570
  188   2HB   GLU  22          3HB       GLU  22   3.952   2.589   7.338
  189   1HG   GLU  22          2HG       GLU  22   1.682   3.197   8.985
  190   2HG   GLU  22          3HG       GLU  22   2.573   1.822   9.637
  191    H    LYS  23           HN       LYS  23   2.788   1.240   4.665
  192    HA   LYS  23           HA       LYS  23   4.721   2.762   3.399
  193   1HB   LYS  23          2HB       LYS  23   4.644   0.532   2.720
  194   2HB   LYS  23          3HB       LYS  23   2.901   0.552   2.499
  195   1HG   LYS  23          2HG       LYS  23   3.190   0.890   0.325
  196   2HG   LYS  23          3HG       LYS  23   4.061   2.390   0.669
  197   1HD   LYS  23          2HD       LYS  23   5.590   1.120  -0.529
  198   2HD   LYS  23          3HD       LYS  23   6.071   0.869   1.144
  199   1HE   LYS  23          2HE       LYS  23   4.102  -1.072   0.335
  200   2HE   LYS  23          3HE       LYS  23   5.481  -1.085  -0.764
  201   1HZ   LYS  23          1HZ       LYS  23   6.677  -0.980   1.637
  202   2HZ   LYS  23          2HZ       LYS  23   6.384  -2.407   0.780
  203   3HZ   LYS  23          3HZ       LYS  23   5.315  -1.918   1.995
  204    H    CYS  24           HN       CYS  24   1.257   2.553   2.817
  205    HA   CYS  24           HA       CYS  24   1.188   4.409   0.677
  206   1HB   CYS  24          2HB       CYS  24  -1.158   3.845   2.456
  207   2HB   CYS  24          3HB       CYS  24  -1.122   4.121   0.717
  208    H    LYS  25           HN       LYS  25   0.765   4.733   4.178
  209    HA   LYS  25           HA       LYS  25  -0.132   7.444   4.011
  210   1HB   LYS  25          2HB       LYS  25   0.276   5.472   6.082
  211   2HB   LYS  25          3HB       LYS  25   0.885   7.044   6.584
  212   1HG   LYS  25          2HG       LYS  25  -1.370   6.899   7.297
  213   2HG   LYS  25          3HG       LYS  25  -1.327   8.014   5.931
  214   1HD   LYS  25          2HD       LYS  25  -1.838   5.145   5.358
  215   2HD   LYS  25          3HD       LYS  25  -3.132   6.070   6.121
  216   1HE   LYS  25          2HE       LYS  25  -1.725   6.758   3.540
  217   2HE   LYS  25          3HE       LYS  25  -3.353   6.098   3.694
  218   1HZ   LYS  25          1HZ       LYS  25  -3.418   8.301   5.275
  219   2HZ   LYS  25          2HZ       LYS  25  -4.002   8.215   3.691
  220   3HZ   LYS  25          3HZ       LYS  25  -2.444   8.804   3.986
  221    H    THR  26           HN       THR  26   2.817   6.195   5.558
  222    HA   THR  26           HA       THR  26   4.163   8.565   5.820
  223    HB   THR  26           HB       THR  26   6.270   7.227   5.807
  224    HG1  THR  26           1HG      THR  26   5.625   4.815   5.772
  225   1HG2  THR  26          1HG2      THR  26   4.433   5.580   7.423
  226   2HG2  THR  26          2HG2      THR  26   4.318   7.321   7.677
  227   3HG2  THR  26          3HG2      THR  26   5.860   6.496   7.908
  228    H    LEU  27           HN       LEU  27   4.195   6.420   2.953
  229    HA   LEU  27           HA       LEU  27   6.053   8.185   1.623
  230   1HB   LEU  27          2HB       LEU  27   4.685   5.637   0.843
  231   2HB   LEU  27          3HB       LEU  27   5.570   6.592  -0.332
  232    HG   LEU  27           HG       LEU  27   7.497   6.427   1.457
  233   1HD1  LEU  27          1HD1      LEU  27   6.144   5.306   3.142
  234   2HD1  LEU  27          2HD1      LEU  27   5.848   3.969   2.028
  235   3HD1  LEU  27          3HD1      LEU  27   7.482   4.283   2.617
  236   1HD2  LEU  27          1HD2      LEU  27   6.783   4.070  -0.278
  237   2HD2  LEU  27          2HD2      LEU  27   7.496   5.570  -0.873
  238   3HD2  LEU  27          3HD2      LEU  27   8.392   4.556   0.258
  239    H    TYR  28           HN       TYR  28   2.599   7.378   1.367
  240    HA   TYR  28           HA       TYR  28   2.349   9.540  -0.626
  241   1HB   TYR  28          2HB       TYR  28   0.137   7.589  -0.139
  242   2HB   TYR  28          3HB       TYR  28   0.558   8.448  -1.610
  243    HD1  TYR  28           1HD      TYR  28  -0.175   5.543  -1.376
  244    HD2  TYR  28           2HD      TYR  28   3.617   7.469  -1.321
  245    HE1  TYR  28           1HE      TYR  28   0.870   3.492  -2.222
  246    HE2  TYR  28           2HE      TYR  28   4.671   5.420  -2.166
  247    HH   TYR  28           HH       TYR  28   3.753   2.665  -1.981
  248    HA   PRO  29           HA       PRO  29   0.277  11.381   3.015
  249   1HB   PRO  29          2HB       PRO  29   0.729  13.953   2.341
  250   2HB   PRO  29          3HB       PRO  29   1.970  12.950   3.101
  251   1HG   PRO  29          2HG       PRO  29   1.626  13.678   0.220
  252   2HG   PRO  29          3HG       PRO  29   3.110  13.603   1.187
  253   1HD   PRO  29          2HD       PRO  29   2.320  11.626  -0.528
  254   2HD   PRO  29          3HD       PRO  29   3.320  11.337   0.909
  255    H    ARG  30           HN       ARG  30  -1.579  10.374   1.702
  256    HA   ARG  30           HA       ARG  30  -3.111  12.483   0.331
  257   1HB   ARG  30          2HB       ARG  30  -2.532   9.753  -0.372
  258   2HB   ARG  30          3HB       ARG  30  -4.269   9.975  -0.220
  259   1HG   ARG  30          2HG       ARG  30  -2.403  11.554  -1.978
  260   2HG   ARG  30          3HG       ARG  30  -3.582  10.350  -2.500
  261   1HD   ARG  30          2HD       ARG  30  -4.793  12.416  -0.866
  262   2HD   ARG  30          3HD       ARG  30  -3.986  13.089  -2.282
  263    HE   ARG  30           HE       ARG  30  -5.556  10.880  -3.048
  264   1HH1  ARG  30          2HH1      ARG  30  -5.871  14.173  -1.953
  265   2HH1  ARG  30          1HH1      ARG  30  -7.374  14.437  -2.771
  266   1HH2  ARG  30          2HH2      ARG  30  -7.536  11.220  -4.128
  267   2HH2  ARG  30          1HH2      ARG  30  -8.321  12.759  -4.006
  268    H    GLY  31           HN       GLY  31  -5.562  11.672   0.291
  269   1HA   GLY  31          1HA       GLY  31  -6.327  11.301   3.118
  270   2HA   GLY  31          2HA       GLY  31  -7.253  12.244   1.955
  271    H    GLN  32           HN       GLN  32  -6.902  10.340  -0.200
  272    HA   GLN  32           HA       GLN  32  -8.877   8.361   0.668
  273   1HB   GLN  32          2HB       GLN  32  -8.166   8.576  -2.204
  274   2HB   GLN  32          3HB       GLN  32  -9.739   8.371  -1.446
  275   1HG   GLN  32          2HG       GLN  32  -8.638  10.963  -0.844
  276   2HG   GLN  32          3HG       GLN  32  -8.700  10.685  -2.584
  277   1HE2  GLN  32          1HE2      GLN  32 -10.476  11.429  -3.462
  278   2HE2  GLN  32          2HE2      GLN  32 -12.047  11.448  -2.745
  279    H    CYS  33           HN       CYS  33  -5.798   8.454   0.838
  280    HA   CYS  33           HA       CYS  33  -5.193   5.901  -0.481
  281   1HB   CYS  33          2HB       CYS  33  -3.665   7.897  -0.786
  282   2HB   CYS  33          3HB       CYS  33  -3.261   7.755   0.920
  283    H    THR  34           HN       THR  34  -4.383   4.142   0.683
  284    HA   THR  34           HA       THR  34  -3.663   4.041   3.340
  285    HB   THR  34           HB       THR  34  -5.946   4.898   3.774
  286    HG1  THR  34           1HG      THR  34  -4.740   3.365   5.208
  287   1HG2  THR  34          1HG2      THR  34  -7.639   2.776   3.586
  288   2HG2  THR  34          2HG2      THR  34  -6.676   2.574   2.122
  289   3HG2  THR  34          3HG2      THR  34  -7.542   4.084   2.406
  290    H    CYS  35           HN       CYS  35  -5.503   1.573   3.791
  291    HA   CYS  35           HA       CYS  35  -3.791  -0.254   2.290
  292   1HB   CYS  35          2HB       CYS  35  -3.703  -1.074   4.404
  293   2HB   CYS  35          3HB       CYS  35  -5.239  -0.348   4.860
  294    H    SER  36           HN       SER  36  -4.496  -1.588   0.746
  295    HA   SER  36           HA       SER  36  -7.364  -2.035   0.399
  296   1HB   SER  36          2HB       SER  36  -5.957  -0.185  -1.164
  297   2HB   SER  36          3HB       SER  36  -6.100  -1.622  -2.177
  298    HG   SER  36           HG       SER  36  -8.292  -1.514  -2.025
  299    H    ASP  37           HN       ASP  37  -7.671  -4.146   0.261
  300    HA   ASP  37           HA       ASP  37  -5.680  -5.788  -1.157
  301   1HB   ASP  37          2HB       ASP  37  -5.348  -6.175   1.210
  302   2HB   ASP  37          3HB       ASP  37  -7.073  -6.433   1.450
  303    H    SER  38           HN       SER  38  -6.519  -7.767  -2.076
  304    HA   SER  38           HA       SER  38  -9.324  -7.473  -2.875
  305   1HB   SER  38          2HB       SER  38  -6.944  -8.831  -4.112
  306   2HB   SER  38          3HB       SER  38  -8.580  -9.275  -4.601
  307    HG   SER  38           HG       SER  38  -8.583  -6.693  -4.658
  308    H    LYS  39           HN       LYS  39  -7.272 -10.361  -2.640
  309    HA   LYS  39           HA       LYS  39  -8.687 -11.512  -0.464
  310   1HB   LYS  39          2HB       LYS  39 -10.096 -11.683  -2.813
  311   2HB   LYS  39          3HB       LYS  39  -9.215 -13.204  -2.805
  312   1HG   LYS  39          2HG       LYS  39 -10.099 -13.345  -0.341
  313   2HG   LYS  39          3HG       LYS  39 -11.317 -12.219  -0.946
  314   1HD   LYS  39          2HD       LYS  39 -12.385 -13.835  -2.052
  315   2HD   LYS  39          3HD       LYS  39 -10.887 -14.427  -2.774
  316   1HE   LYS  39          2HE       LYS  39 -10.393 -15.663  -0.714
  317   2HE   LYS  39          3HE       LYS  39 -11.899 -15.078  -0.006
  318   1HZ   LYS  39          1HZ       LYS  39 -11.484 -17.293  -1.711
  319   2HZ   LYS  39          2HZ       LYS  39 -12.562 -16.215  -2.443
  320   3HZ   LYS  39          3HZ       LYS  39 -12.895 -16.825  -0.900
  321    H    MET  40           HN       MET  40  -5.995 -11.084  -1.139
  322    HA   MET  40           HA       MET  40  -5.030 -13.847  -1.085
  323   1HB   MET  40          2HB       MET  40  -4.350 -11.769  -3.088
  324   2HB   MET  40          3HB       MET  40  -3.008 -12.716  -2.460
  325   1HG   MET  40          2HG       MET  40  -4.256 -14.776  -3.084
  326   2HG   MET  40          3HG       MET  40  -5.466 -13.750  -3.851
  327   1HE   MET  40          1HE       MET  40  -5.021 -12.060  -5.448
  328   2HE   MET  40          2HE       MET  40  -3.367 -11.497  -5.696
  329   3HE   MET  40          3HE       MET  40  -4.160 -12.476  -6.931
  330    H    ASN  41           HN       ASN  41  -2.389 -13.498  -0.820
  331    HA   ASN  41           HA       ASN  41  -2.183 -12.331   1.808
  332   1HB   ASN  41          2HB       ASN  41  -1.053 -14.503   0.879
  333   2HB   ASN  41          3HB       ASN  41   0.169 -13.389   0.277
  334   1HD2  ASN  41          1HD2      ASN  41   1.344 -14.921   1.826
  335   2HD2  ASN  41          2HD2      ASN  41   1.516 -14.356   3.450
  336    H    THR  42           HN       THR  42  -1.290 -11.464  -1.450
  337    HA   THR  42           HA       THR  42   0.244  -9.180  -0.427
  338    HB   THR  42           HB       THR  42   0.493  -9.005  -3.139
  339    HG1  THR  42           1HG      THR  42   1.186 -11.504  -3.276
  340   1HG2  THR  42          1HG2      THR  42   2.137 -10.099  -0.931
  341   2HG2  THR  42          2HG2      THR  42   2.473  -8.774  -2.047
  342   3HG2  THR  42          3HG2      THR  42   2.676 -10.446  -2.573
  343    H    HIS  43           HN       HIS  43  -0.284  -7.139  -0.836
  344    HA   HIS  43           HA       HIS  43  -2.525  -6.415  -2.546
  345   1HB   HIS  43          2HB       HIS  43  -3.421  -5.029  -0.531
  346   2HB   HIS  43          3HB       HIS  43  -3.805  -6.747  -0.588
  347    HD1  HIS  43           1HD      HIS  43  -1.929  -8.243   0.772
  348    HD2  HIS  43           2HD      HIS  43  -2.382  -4.265   1.861
  349    HE1  HIS  43           1HE      HIS  43  -0.916  -8.039   3.041
  350    HE2  HIS  43           2HE      HIS  43  -1.104  -5.610   3.644
  351    H    SER  44           HN       SER  44  -2.823  -3.807  -1.873
  352    HA   SER  44           HA       SER  44  -0.283  -2.593  -1.321
  353   1HB   SER  44          2HB       SER  44  -0.110  -1.331  -3.431
  354   2HB   SER  44          3HB       SER  44   0.072  -3.073  -3.672
  355    HG   SER  44           HG       SER  44  -2.429  -2.771  -3.986
  356    H    CYS  45           HN       CYS  45  -1.306  -0.153  -2.872
  357    HA   CYS  45           HA       CYS  45  -3.229   0.683  -0.809
  358   1HB   CYS  45          2HB       CYS  45  -1.606   2.604  -2.445
  359   2HB   CYS  45          3HB       CYS  45  -2.322   2.834  -0.851
  360    H    ASP  46           HN       ASP  46  -4.459   2.769  -1.668
  361    HA   ASP  46           HA       ASP  46  -5.274   2.518  -4.443
  362   1HB   ASP  46          2HB       ASP  46  -6.655   0.916  -2.907
  363   2HB   ASP  46          3HB       ASP  46  -7.459   2.395  -2.388
  364    H    CYS  47           HN       CYS  47  -3.931   4.572  -3.115
  365    HA   CYS  47           HA       CYS  47  -5.508   6.653  -2.131
  366   1HB   CYS  47          2HB       CYS  47  -3.298   7.469  -3.895
  367   2HB   CYS  47          3HB       CYS  47  -3.607   7.891  -2.215
  368    H    LYS  48           HN       LYS  48  -5.030   5.440  -5.305
  369    HA   LYS  48           HA       LYS  48  -6.851   7.495  -6.348
  370   1HB   LYS  48          2HB       LYS  48  -4.426   7.827  -7.039
  371   2HB   LYS  48          3HB       LYS  48  -4.581   6.333  -7.952
  372   1HG   LYS  48          2HG       LYS  48  -6.752   7.716  -8.820
  373   2HG   LYS  48          3HG       LYS  48  -5.590   9.014  -8.539
  374   1HD   LYS  48          2HD       LYS  48  -4.128   8.233 -10.136
  375   2HD   LYS  48          3HD       LYS  48  -4.709   6.573 -10.007
  376   1HE   LYS  48          2HE       LYS  48  -6.190   8.881 -11.263
  377   2HE   LYS  48          3HE       LYS  48  -5.375   7.579 -12.128
  378   1HZ   LYS  48          1HZ       LYS  48  -7.952   7.597 -10.840
  379   2HZ   LYS  48          2HZ       LYS  48  -7.020   6.234 -10.472
  380   3HZ   LYS  48          3HZ       LYS  48  -7.371   6.609 -12.084
  381    H    SER  49           HN       SER  49  -8.205   6.851  -8.007
  382    HA   SER  49           HA       SER  49  -9.165   4.192  -7.820
  383   1HB   SER  49          2HB       SER  49 -10.202   6.577  -8.687
  384   2HB   SER  49          3HB       SER  49  -9.985   5.704 -10.205
  385    HG   SER  49           HG       SER  49 -11.076   3.912  -8.959
  386    H    CYS  50           HN       CYS  50  -7.146   3.065  -8.320
  387    HA   CYS  50           HA       CYS  50  -6.669   2.850 -11.220
  388   1HB   CYS  50          2HB       CYS  50  -4.583   1.858  -9.368
  389   2HB   CYS  50          3HB       CYS  50  -4.419   2.724 -10.892
  Start of MODEL   15
    1   1H    ASN   1          1H        ASN   1  -3.336  16.797 -12.796
    2   2H    ASN   1          2H        ASN   1  -4.726  17.651 -13.242
    3   3H    ASN   1          3H        ASN   1  -4.772  16.589 -11.927
    4    HA   ASN   1           HA       ASN   1  -2.928  18.882 -11.942
    5   1HB   ASN   1          2HB       ASN   1  -5.690  19.130 -12.193
    6   2HB   ASN   1          3HB       ASN   1  -5.400  19.326 -10.466
    7   1HD2  ASN   1          1HD2      ASN   1  -6.392  21.397 -11.903
    8   2HD2  ASN   1          2HD2      ASN   1  -5.200  22.638 -12.062
    9    H    LEU   2           HN       LEU   2  -1.501  17.899 -10.583
   10    HA   LEU   2           HA       LEU   2  -0.607  17.081  -8.662
   11   1HB   LEU   2          2HB       LEU   2  -3.063  18.369  -7.473
   12   2HB   LEU   2          3HB       LEU   2  -1.701  17.776  -6.543
   13    HG   LEU   2           HG       LEU   2  -1.174  19.783  -8.682
   14   1HD1  LEU   2          1HD1      LEU   2  -1.687  21.031  -6.125
   15   2HD1  LEU   2          2HD1      LEU   2  -2.261  21.473  -7.733
   16   3HD1  LEU   2          3HD1      LEU   2  -3.136  20.270  -6.784
   17   1HD2  LEU   2          1HD2      LEU   2   0.217  18.579  -6.495
   18   2HD2  LEU   2          2HD2      LEU   2   0.830  19.670  -7.738
   19   3HD2  LEU   2          3HD2      LEU   2   0.142  20.324  -6.251
   20    H    MET   3           HN       MET   3  -2.312  15.335 -10.193
   21    HA   MET   3           HA       MET   3  -4.064  13.836  -8.586
   22   1HB   MET   3          2HB       MET   3  -2.424  12.801 -10.904
   23   2HB   MET   3          3HB       MET   3  -3.933  12.135 -10.294
   24   1HG   MET   3          2HG       MET   3  -5.202  13.866 -11.174
   25   2HG   MET   3          3HG       MET   3  -3.811  14.936 -11.330
   26   1HE   MET   3          1HE       MET   3  -6.022  12.901 -14.200
   27   2HE   MET   3          2HE       MET   3  -5.206  11.440 -13.644
   28   3HE   MET   3          3HE       MET   3  -6.044  12.476 -12.488
   29    H    LYS   4           HN       LYS   4  -3.674  11.498  -7.982
   30    HA   LYS   4           HA       LYS   4  -1.083  11.320  -6.609
   31   1HB   LYS   4          2HB       LYS   4  -2.978   9.307  -5.788
   32   2HB   LYS   4          3HB       LYS   4  -2.188  10.548  -4.828
   33   1HG   LYS   4          2HG       LYS   4  -4.269  11.305  -4.520
   34   2HG   LYS   4          3HG       LYS   4  -4.059  12.017  -6.121
   35   1HD   LYS   4          2HD       LYS   4  -4.882   9.575  -6.843
   36   2HD   LYS   4          3HD       LYS   4  -5.675   9.686  -5.270
   37   1HE   LYS   4          2HE       LYS   4  -7.194  10.495  -6.936
   38   2HE   LYS   4          3HE       LYS   4  -6.639  11.866  -5.978
   39   1HZ   LYS   4          1HZ       LYS   4  -6.658  11.832  -8.639
   40   2HZ   LYS   4          2HZ       LYS   4  -5.082  11.286  -8.355
   41   3HZ   LYS   4          3HZ       LYS   4  -5.586  12.773  -7.726
   42    H    ARG   5           HN       ARG   5  -0.848   8.700  -6.069
   43    HA   ARG   5           HA       ARG   5  -1.166   7.153  -8.502
   44   1HB   ARG   5          2HB       ARG   5   1.362   6.561  -8.341
   45   2HB   ARG   5          3HB       ARG   5   0.874   8.038  -9.159
   46   1HG   ARG   5          2HG       ARG   5   1.318   9.266  -7.026
   47   2HG   ARG   5          3HG       ARG   5   2.002   7.771  -6.384
   48   1HD   ARG   5          2HD       ARG   5   3.711   7.755  -8.057
   49   2HD   ARG   5          3HD       ARG   5   2.955   9.096  -8.916
   50    HE   ARG   5           HE       ARG   5   3.538  10.495  -6.978
   51   1HH1  ARG   5          2HH1      ARG   5   5.219   7.474  -7.424
   52   2HH1  ARG   5          1HH1      ARG   5   6.615   7.970  -6.527
   53   1HH2  ARG   5          2HH2      ARG   5   5.372  11.156  -5.795
   54   2HH2  ARG   5          1HH2      ARG   5   6.702  10.065  -5.601
   55    H    CYS   6           HN       CYS   6  -2.505   5.933  -7.078
   56    HA   CYS   6           HA       CYS   6  -1.926   4.828  -4.648
   57   1HB   CYS   6          2HB       CYS   6  -3.318   2.827  -5.482
   58   2HB   CYS   6          3HB       CYS   6  -4.078   4.415  -5.495
   59    H    THR   7           HN       THR   7  -0.721   3.171  -3.841
   60    HA   THR   7           HA       THR   7   0.909   1.609  -3.683
   61    HB   THR   7           HB       THR   7   0.665  -0.274  -4.919
   62    HG1  THR   7           1HG      THR   7   0.768  -0.319  -7.103
   63   1HG2  THR   7          1HG2      THR   7  -1.556  -0.569  -5.676
   64   2HG2  THR   7          2HG2      THR   7  -1.721   1.136  -6.097
   65   3HG2  THR   7          3HG2      THR   7  -1.643   0.647  -4.403
   66    H    ARG   8           HN       ARG   8   3.046   1.150  -4.184
   67    HA   ARG   8           HA       ARG   8   4.323   3.076  -5.991
   68   1HB   ARG   8          2HB       ARG   8   4.914   2.431  -3.398
   69   2HB   ARG   8          3HB       ARG   8   6.013   1.374  -4.273
   70   1HG   ARG   8          2HG       ARG   8   7.400   3.062  -4.582
   71   2HG   ARG   8          3HG       ARG   8   6.145   3.949  -5.451
   72   1HD   ARG   8          2HD       ARG   8   5.271   4.477  -3.048
   73   2HD   ARG   8          3HD       ARG   8   6.921   4.085  -2.571
   74    HE   ARG   8           HE       ARG   8   6.032   6.449  -3.911
   75   1HH1  ARG   8          2HH1      ARG   8   8.737   4.287  -3.508
   76   2HH1  ARG   8          1HH1      ARG   8   9.918   5.482  -3.930
   77   1HH2  ARG   8          2HH2      ARG   8   7.581   8.026  -4.473
   78   2HH2  ARG   8          1HH2      ARG   8   9.262   7.605  -4.478
   79    H    GLY   9           HN       GLY   9   2.930   0.824  -6.972
   80   1HA   GLY   9          1HA       GLY   9   3.681  -0.317  -9.006
   81   2HA   GLY   9          2HA       GLY   9   5.147  -0.747  -8.127
   82    H    PHE  10           HN       PHE  10   2.325  -0.791  -6.262
   83    HA   PHE  10           HA       PHE  10   1.129  -2.433  -5.250
   84   1HB   PHE  10          2HB       PHE  10   0.753  -2.839  -7.884
   85   2HB   PHE  10          3HB       PHE  10   1.526  -4.365  -7.470
   86    HD1  PHE  10           1HD      PHE  10   0.520  -5.375  -5.147
   87    HD2  PHE  10           2HD      PHE  10  -1.524  -2.859  -7.904
   88    HE1  PHE  10           1HE      PHE  10  -1.634  -6.243  -4.334
   89    HE2  PHE  10           2HE      PHE  10  -3.683  -3.720  -7.094
   90    HZ   PHE  10           HZ       PHE  10  -3.740  -5.413  -5.307
   91    H    ARG  11           HN       ARG  11   2.876  -2.700  -3.685
   92    HA   ARG  11           HA       ARG  11   3.896  -5.396  -3.798
   93   1HB   ARG  11          2HB       ARG  11   6.226  -4.778  -3.387
   94   2HB   ARG  11          3HB       ARG  11   5.657  -4.149  -4.925
   95   1HG   ARG  11          2HG       ARG  11   6.282  -2.114  -4.327
   96   2HG   ARG  11          3HG       ARG  11   5.183  -2.172  -2.945
   97   1HD   ARG  11          2HD       ARG  11   6.914  -2.275  -1.562
   98   2HD   ARG  11          3HD       ARG  11   7.449  -3.765  -2.340
   99    HE   ARG  11           HE       ARG  11   8.383  -1.878  -4.010
  100   1HH1  ARG  11          2HH1      ARG  11   8.590  -2.248  -0.549
  101   2HH1  ARG  11          1HH1      ARG  11  10.124  -1.452  -0.429
  102   1HH2  ARG  11          2HH2      ARG  11  10.401  -0.834  -3.860
  103   2HH2  ARG  11          1HH2      ARG  11  11.155  -0.651  -2.311
  104    H    LYS  12           HN       LYS  12   2.013  -4.660  -2.086
  105    HA   LYS  12           HA       LYS  12   3.397  -4.328   0.496
  106   1HB   LYS  12          2HB       LYS  12   0.502  -3.811  -0.248
  107   2HB   LYS  12          3HB       LYS  12   1.112  -3.761   1.395
  108   1HG   LYS  12          2HG       LYS  12   0.857  -1.526   0.362
  109   2HG   LYS  12          3HG       LYS  12   2.504  -1.869   0.886
  110   1HD   LYS  12          2HD       LYS  12   3.262  -2.139  -1.312
  111   2HD   LYS  12          3HD       LYS  12   1.628  -2.355  -1.943
  112   1HE   LYS  12          2HE       LYS  12   1.289  -0.146  -2.147
  113   2HE   LYS  12          3HE       LYS  12   2.058   0.209  -0.601
  114   1HZ   LYS  12          1HZ       LYS  12   3.282   1.174  -2.445
  115   2HZ   LYS  12          2HZ       LYS  12   3.482  -0.351  -3.147
  116   3HZ   LYS  12          3HZ       LYS  12   4.216  -0.002  -1.665
  117    H    LEU  13           HN       LEU  13   2.683  -5.828   2.255
  118    HA   LEU  13           HA       LEU  13   1.214  -8.176   1.308
  119   1HB   LEU  13          2HB       LEU  13   3.279  -9.413   2.587
  120   2HB   LEU  13          3HB       LEU  13   3.097  -9.268   0.849
  121    HG   LEU  13           HG       LEU  13   4.399  -6.933   1.980
  122   1HD1  LEU  13          1HD1      LEU  13   5.822  -7.850   3.409
  123   2HD1  LEU  13          2HD1      LEU  13   5.145  -9.450   3.107
  124   3HD1  LEU  13          3HD1      LEU  13   6.460  -8.845   2.100
  125   1HD2  LEU  13          1HD2      LEU  13   4.652  -7.158  -0.291
  126   2HD2  LEU  13          2HD2      LEU  13   6.165  -7.860   0.281
  127   3HD2  LEU  13          3HD2      LEU  13   4.836  -8.909  -0.209
  128    H    GLY  14           HN       GLY  14   0.558  -9.670   2.915
  129   1HA   GLY  14          1HA       GLY  14   0.267 -10.392   5.157
  130   2HA   GLY  14          2HA       GLY  14   0.827  -8.821   5.710
  131    H    LYS  15           HN       LYS  15  -1.823 -10.058   3.639
  132    HA   LYS  15           HA       LYS  15  -3.872  -8.919   3.319
  133   1HB   LYS  15          2HB       LYS  15  -4.071 -10.353   5.969
  134   2HB   LYS  15          3HB       LYS  15  -5.393  -9.993   4.871
  135   1HG   LYS  15          2HG       LYS  15  -4.257 -11.392   3.150
  136   2HG   LYS  15          3HG       LYS  15  -3.101 -11.871   4.394
  137   1HD   LYS  15          2HD       LYS  15  -4.880 -12.834   5.725
  138   2HD   LYS  15          3HD       LYS  15  -6.087 -12.269   4.568
  139   1HE   LYS  15          2HE       LYS  15  -5.175 -13.715   2.856
  140   2HE   LYS  15          3HE       LYS  15  -3.870 -14.214   3.934
  141   1HZ   LYS  15          1HZ       LYS  15  -6.441 -15.311   3.683
  142   2HZ   LYS  15          2HZ       LYS  15  -6.288 -14.682   5.246
  143   3HZ   LYS  15          3HZ       LYS  15  -5.172 -15.820   4.680
  144    H    CYS  16           HN       CYS  16  -3.390  -6.707   3.488
  145    HA   CYS  16           HA       CYS  16  -3.502  -4.603   4.311
  146   1HB   CYS  16          2HB       CYS  16  -5.925  -5.758   4.792
  147   2HB   CYS  16          3HB       CYS  16  -5.475  -5.220   6.408
  148    H    THR  17           HN       THR  17  -1.341  -5.509   5.202
  149    HA   THR  17           HA       THR  17  -1.175  -5.675   8.078
  150    HB   THR  17           HB       THR  17   0.634  -6.100   5.783
  151    HG1  THR  17           1HG      THR  17  -0.365  -7.465   7.832
  152   1HG2  THR  17          1HG2      THR  17   1.770  -5.248   8.456
  153   2HG2  THR  17          2HG2      THR  17   1.880  -4.331   6.953
  154   3HG2  THR  17          3HG2      THR  17   2.689  -5.892   7.096
  155    H    THR  18           HN       THR  18   0.079  -4.225   9.385
  156    HA   THR  18           HA       THR  18  -0.523  -1.543   9.110
  157    HB   THR  18           HB       THR  18   1.504  -3.027  10.734
  158    HG1  THR  18           1HG      THR  18  -0.435  -2.951  11.713
  159   1HG2  THR  18          1HG2      THR  18   2.581  -1.158  11.554
  160   2HG2  THR  18          2HG2      THR  18   1.286  -0.065  11.068
  161   3HG2  THR  18          3HG2      THR  18   2.392  -0.714   9.857
  162    H    LEU  19           HN       LEU  19   2.629  -3.096   8.488
  163    HA   LEU  19           HA       LEU  19   4.034  -0.918   7.575
  164   1HB   LEU  19          2HB       LEU  19   4.361  -3.728   7.574
  165   2HB   LEU  19          3HB       LEU  19   4.702  -3.177   5.946
  166    HG   LEU  19           HG       LEU  19   6.733  -3.302   7.311
  167   1HD1  LEU  19          1HD1      LEU  19   7.530  -1.634   6.092
  168   2HD1  LEU  19          2HD1      LEU  19   5.874  -1.136   5.745
  169   3HD1  LEU  19          3HD1      LEU  19   6.731  -0.447   7.124
  170   1HD2  LEU  19          1HD2      LEU  19   6.440  -2.842   9.485
  171   2HD2  LEU  19          2HD2      LEU  19   6.709  -1.169   8.996
  172   3HD2  LEU  19          3HD2      LEU  19   5.064  -1.782   9.177
  173    H    GLU  20           HN       GLU  20   1.462  -2.595   6.001
  174    HA   GLU  20           HA       GLU  20   2.096  -1.558   3.385
  175   1HB   GLU  20          2HB       GLU  20  -0.551  -2.753   4.164
  176   2HB   GLU  20          3HB       GLU  20   0.227  -2.747   2.588
  177   1HG   GLU  20          2HG       GLU  20   0.703  -4.500   4.937
  178   2HG   GLU  20          3HG       GLU  20   0.554  -4.914   3.231
  179    H    GLU  21           HN       GLU  21  -0.426  -0.967   5.839
  180    HA   GLU  21           HA       GLU  21  -1.664   1.161   4.438
  181   1HB   GLU  21          2HB       GLU  21  -2.893   1.568   6.392
  182   2HB   GLU  21          3HB       GLU  21  -2.543  -0.152   6.486
  183   1HG   GLU  21          2HG       GLU  21  -0.545   0.518   7.921
  184   2HG   GLU  21          3HG       GLU  21  -1.311   2.101   8.025
  185    H    GLU  22           HN       GLU  22   1.181   0.844   6.332
  186    HA   GLU  22           HA       GLU  22   1.588   3.625   6.862
  187   1HB   GLU  22          2HB       GLU  22   3.027   1.084   7.331
  188   2HB   GLU  22          3HB       GLU  22   4.038   2.507   7.155
  189   1HG   GLU  22          2HG       GLU  22   1.915   3.191   8.886
  190   2HG   GLU  22          3HG       GLU  22   2.556   1.636   9.414
  191    H    LYS  23           HN       LYS  23   2.804   1.241   4.526
  192    HA   LYS  23           HA       LYS  23   4.691   2.755   3.205
  193   1HB   LYS  23          2HB       LYS  23   4.336   0.413   2.662
  194   2HB   LYS  23          3HB       LYS  23   2.722   0.763   2.059
  195   1HG   LYS  23          2HG       LYS  23   3.558   1.094   0.033
  196   2HG   LYS  23          3HG       LYS  23   4.572   2.397   0.665
  197   1HD   LYS  23          2HD       LYS  23   5.978   0.761  -0.371
  198   2HD   LYS  23          3HD       LYS  23   6.231   0.692   1.369
  199   1HE   LYS  23          2HE       LYS  23   4.337  -1.146   1.196
  200   2HE   LYS  23          3HE       LYS  23   4.942  -1.272  -0.454
  201   1HZ   LYS  23          1HZ       LYS  23   6.324  -2.737   0.550
  202   2HZ   LYS  23          2HZ       LYS  23   6.239  -1.981   2.061
  203   3HZ   LYS  23          3HZ       LYS  23   7.228  -1.337   0.848
  204    H    CYS  24           HN       CYS  24   1.199   2.651   2.769
  205    HA   CYS  24           HA       CYS  24   1.044   4.420   0.585
  206   1HB   CYS  24          2HB       CYS  24  -1.073   3.997   2.689
  207   2HB   CYS  24          3HB       CYS  24  -1.304   4.468   1.008
  208    H    LYS  25           HN       LYS  25   0.574   5.011   4.072
  209    HA   LYS  25           HA       LYS  25   0.131   7.799   3.752
  210   1HB   LYS  25          2HB       LYS  25   0.367   5.902   5.964
  211   2HB   LYS  25          3HB       LYS  25   0.989   7.500   6.350
  212   1HG   LYS  25          2HG       LYS  25  -1.282   7.471   7.000
  213   2HG   LYS  25          3HG       LYS  25  -1.189   8.439   5.528
  214   1HD   LYS  25          2HD       LYS  25  -1.695   5.551   5.165
  215   2HD   LYS  25          3HD       LYS  25  -2.996   6.484   5.908
  216   1HE   LYS  25          2HE       LYS  25  -1.663   7.043   3.260
  217   2HE   LYS  25          3HE       LYS  25  -3.292   6.412   3.504
  218   1HZ   LYS  25          1HZ       LYS  25  -2.510   9.070   3.346
  219   2HZ   LYS  25          2HZ       LYS  25  -2.980   8.812   4.950
  220   3HZ   LYS  25          3HZ       LYS  25  -4.055   8.467   3.690
  221    H    THR  26           HN       THR  26   2.859   6.247   5.427
  222    HA   THR  26           HA       THR  26   4.531   8.371   5.665
  223    HB   THR  26           HB       THR  26   6.416   6.822   5.735
  224    HG1  THR  26           1HG      THR  26   6.341   5.035   4.616
  225   1HG2  THR  26          1HG2      THR  26   4.773   6.975   7.624
  226   2HG2  THR  26          2HG2      THR  26   5.660   5.452   7.545
  227   3HG2  THR  26          3HG2      THR  26   3.991   5.531   6.980
  228    H    LEU  27           HN       LEU  27   4.058   6.453   2.710
  229    HA   LEU  27           HA       LEU  27   6.225   7.823   1.370
  230   1HB   LEU  27          2HB       LEU  27   4.161   5.844   0.428
  231   2HB   LEU  27          3HB       LEU  27   5.315   6.590  -0.649
  232    HG   LEU  27           HG       LEU  27   5.652   4.183   0.478
  233   1HD1  LEU  27          1HD1      LEU  27   7.216   6.037  -0.960
  234   2HD1  LEU  27          2HD1      LEU  27   8.246   5.299   0.267
  235   3HD1  LEU  27          3HD1      LEU  27   7.374   4.281  -0.881
  236   1HD2  LEU  27          1HD2      LEU  27   6.889   4.130   2.385
  237   2HD2  LEU  27          2HD2      LEU  27   7.482   5.780   2.181
  238   3HD2  LEU  27          3HD2      LEU  27   5.828   5.497   2.722
  239    H    TYR  28           HN       TYR  28   2.678   7.721   1.229
  240    HA   TYR  28           HA       TYR  28   2.726  10.169  -0.420
  241   1HB   TYR  28          2HB       TYR  28   0.289   8.446  -0.240
  242   2HB   TYR  28          3HB       TYR  28   0.840   9.458  -1.565
  243    HD1  TYR  28           1HD      TYR  28  -0.210   6.600  -1.721
  244    HD2  TYR  28           2HD      TYR  28   3.732   8.158  -1.454
  245    HE1  TYR  28           1HE      TYR  28   0.657   4.589  -2.836
  246    HE2  TYR  28           2HE      TYR  28   4.613   6.155  -2.542
  247    HH   TYR  28           HH       TYR  28   3.866   3.736  -2.849
  248    HA   PRO  29           HA       PRO  29   0.657  11.919   3.178
  249   1HB   PRO  29          2HB       PRO  29   0.733  14.487   2.415
  250   2HB   PRO  29          3HB       PRO  29   2.197  13.644   2.936
  251   1HG   PRO  29          2HG       PRO  29   1.259  14.284   0.171
  252   2HG   PRO  29          3HG       PRO  29   2.898  14.349   0.843
  253   1HD   PRO  29          2HD       PRO  29   1.902  12.273  -0.691
  254   2HD   PRO  29          3HD       PRO  29   3.275  12.139   0.423
  255    H    ARG  30           HN       ARG  30  -0.820  10.695   0.995
  256    HA   ARG  30           HA       ARG  30  -2.794  12.427  -0.047
  257   1HB   ARG  30          2HB       ARG  30  -2.346   9.500   0.089
  258   2HB   ARG  30          3HB       ARG  30  -4.006  10.020  -0.159
  259   1HG   ARG  30          2HG       ARG  30  -2.714   9.542  -2.246
  260   2HG   ARG  30          3HG       ARG  30  -3.447  11.145  -2.175
  261   1HD   ARG  30          2HD       ARG  30  -1.434  12.208  -2.013
  262   2HD   ARG  30          3HD       ARG  30  -0.666  10.859  -1.179
  263    HE   ARG  30           HE       ARG  30  -0.978   9.819  -3.597
  264   1HH1  ARG  30          2HH1      ARG  30   0.129  12.986  -2.656
  265   2HH1  ARG  30          1HH1      ARG  30   1.173  13.171  -4.026
  266   1HH2  ARG  30          2HH2      ARG  30   0.396  10.054  -5.405
  267   2HH2  ARG  30          1HH2      ARG  30   1.323  11.506  -5.590
  268    H    GLY  31           HN       GLY  31  -5.155  11.987   0.305
  269   1HA   GLY  31          1HA       GLY  31  -5.726  11.833   3.200
  270   2HA   GLY  31          2HA       GLY  31  -6.578  12.909   2.097
  271    H    GLN  32           HN       GLN  32  -6.266  10.507   0.136
  272    HA   GLN  32           HA       GLN  32  -8.560   8.970   1.154
  273   1HB   GLN  32          2HB       GLN  32  -8.242   9.133  -1.778
  274   2HB   GLN  32          3HB       GLN  32  -9.701   9.172  -0.799
  275   1HG   GLN  32          2HG       GLN  32  -9.450  11.481  -0.348
  276   2HG   GLN  32          3HG       GLN  32  -7.816  11.500  -1.009
  277   1HE2  GLN  32          1HE2      GLN  32 -11.209  11.434  -1.744
  278   2HE2  GLN  32          2HE2      GLN  32 -11.061  11.806  -3.425
  279    H    CYS  33           HN       CYS  33  -5.530   8.617   1.044
  280    HA   CYS  33           HA       CYS  33  -5.385   6.121  -0.495
  281   1HB   CYS  33          2HB       CYS  33  -3.588   7.898  -0.727
  282   2HB   CYS  33          3HB       CYS  33  -3.117   7.523   0.926
  283    H    THR  34           HN       THR  34  -4.552   4.201   0.491
  284    HA   THR  34           HA       THR  34  -3.952   3.912   3.199
  285    HB   THR  34           HB       THR  34  -6.339   4.662   3.408
  286    HG1  THR  34           1HG      THR  34  -6.508   3.426   5.164
  287   1HG2  THR  34          1HG2      THR  34  -7.843   3.726   2.049
  288   2HG2  THR  34          2HG2      THR  34  -7.722   2.273   3.042
  289   3HG2  THR  34          3HG2      THR  34  -6.729   2.435   1.594
  290    H    CYS  35           HN       CYS  35  -5.407   1.353   3.552
  291    HA   CYS  35           HA       CYS  35  -3.727  -0.233   1.758
  292   1HB   CYS  35          2HB       CYS  35  -3.307  -0.949   3.921
  293   2HB   CYS  35          3HB       CYS  35  -4.978  -0.730   4.430
  294    H    SER  36           HN       SER  36  -4.487  -1.625   0.298
  295    HA   SER  36           HA       SER  36  -7.348  -2.243   0.245
  296   1HB   SER  36          2HB       SER  36  -7.374  -1.848  -2.215
  297   2HB   SER  36          3HB       SER  36  -7.090  -0.376  -1.289
  298    HG   SER  36           HG       SER  36  -5.115  -1.961  -2.574
  299    H    ASP  37           HN       ASP  37  -7.645  -4.350   0.075
  300    HA   ASP  37           HA       ASP  37  -5.651  -5.970  -1.360
  301   1HB   ASP  37          2HB       ASP  37  -5.290  -6.285   1.033
  302   2HB   ASP  37          3HB       ASP  37  -6.995  -6.656   1.263
  303    H    SER  38           HN       SER  38  -6.456  -7.879  -2.354
  304    HA   SER  38           HA       SER  38  -9.318  -7.716  -2.969
  305   1HB   SER  38          2HB       SER  38  -8.018  -9.642  -4.614
  306   2HB   SER  38          3HB       SER  38  -8.662  -8.068  -5.081
  307    HG   SER  38           HG       SER  38  -6.111  -8.382  -3.901
  308    H    LYS  39           HN       LYS  39  -7.184 -10.530  -3.149
  309    HA   LYS  39           HA       LYS  39  -8.433 -11.859  -0.928
  310   1HB   LYS  39          2HB       LYS  39  -9.490 -12.207  -3.606
  311   2HB   LYS  39          3HB       LYS  39  -8.906 -13.729  -2.949
  312   1HG   LYS  39          2HG       LYS  39 -10.495 -13.802  -1.326
  313   2HG   LYS  39          3HG       LYS  39 -10.608 -12.045  -1.203
  314   1HD   LYS  39          2HD       LYS  39 -11.490 -13.313  -3.739
  315   2HD   LYS  39          3HD       LYS  39 -12.522 -13.511  -2.321
  316   1HE   LYS  39          2HE       LYS  39 -12.555 -11.071  -2.027
  317   2HE   LYS  39          3HE       LYS  39 -11.559 -10.894  -3.471
  318   1HZ   LYS  39          1HZ       LYS  39 -13.414 -12.152  -4.641
  319   2HZ   LYS  39          2HZ       LYS  39 -13.729 -10.550  -4.199
  320   3HZ   LYS  39          3HZ       LYS  39 -14.358 -11.819  -3.276
  321    H    MET  40           HN       MET  40  -5.828 -11.273  -1.235
  322    HA   MET  40           HA       MET  40  -4.632 -13.916  -1.464
  323   1HB   MET  40          2HB       MET  40  -4.244 -11.777  -3.391
  324   2HB   MET  40          3HB       MET  40  -2.729 -12.265  -2.651
  325   1HG   MET  40          2HG       MET  40  -3.180 -14.590  -3.285
  326   2HG   MET  40          3HG       MET  40  -4.679 -14.074  -4.054
  327   1HE   MET  40          1HE       MET  40  -0.402 -13.379  -5.542
  328   2HE   MET  40          2HE       MET  40  -0.905 -13.272  -3.856
  329   3HE   MET  40          3HE       MET  40  -0.947 -14.824  -4.692
  330    H    ASN  41           HN       ASN  41  -2.112 -13.564  -0.952
  331    HA   ASN  41           HA       ASN  41  -2.075 -12.374   1.683
  332   1HB   ASN  41          2HB       ASN  41  -1.000 -14.596   1.077
  333   2HB   ASN  41          3HB       ASN  41   0.235 -13.671   0.228
  334   1HD2  ASN  41          1HD2      ASN  41  -1.436 -13.270   3.333
  335   2HD2  ASN  41          2HD2      ASN  41   0.001 -13.158   4.285
  336    H    THR  42           HN       THR  42  -1.612 -11.205  -1.371
  337    HA   THR  42           HA       THR  42   0.209  -9.115  -0.378
  338    HB   THR  42           HB       THR  42   0.500  -8.910  -3.077
  339    HG1  THR  42           1HG      THR  42   0.010 -10.758  -3.971
  340   1HG2  THR  42          1HG2      THR  42   2.056  -9.814  -0.826
  341   2HG2  THR  42          2HG2      THR  42   2.574  -8.930  -2.261
  342   3HG2  THR  42          3HG2      THR  42   2.510 -10.692  -2.286
  343    H    HIS  43           HN       HIS  43  -0.262  -7.051  -0.804
  344    HA   HIS  43           HA       HIS  43  -2.503  -6.285  -2.495
  345   1HB   HIS  43          2HB       HIS  43  -3.305  -4.858  -0.444
  346   2HB   HIS  43          3HB       HIS  43  -3.790  -6.548  -0.547
  347    HD1  HIS  43           1HD      HIS  43  -2.024  -8.196   0.764
  348    HD2  HIS  43           2HD      HIS  43  -2.186  -4.221   1.948
  349    HE1  HIS  43           1HE      HIS  43  -0.990  -8.121   3.031
  350    HE2  HIS  43           2HE      HIS  43  -1.012  -5.702   3.701
  351    H    SER  44           HN       SER  44  -2.727  -3.664  -1.873
  352    HA   SER  44           HA       SER  44  -0.155  -2.517  -1.330
  353   1HB   SER  44          2HB       SER  44   0.045  -1.279  -3.469
  354   2HB   SER  44          3HB       SER  44   0.240  -3.027  -3.647
  355    HG   SER  44           HG       SER  44  -1.173  -2.011  -5.227
  356    H    CYS  45           HN       CYS  45  -1.088  -0.061  -2.929
  357    HA   CYS  45           HA       CYS  45  -2.874   0.915  -0.814
  358   1HB   CYS  45          2HB       CYS  45  -1.148   2.500  -2.723
  359   2HB   CYS  45          3HB       CYS  45  -2.071   3.148  -1.369
  360    H    ASP  46           HN       ASP  46  -4.273   2.847  -1.597
  361    HA   ASP  46           HA       ASP  46  -5.284   2.549  -4.301
  362   1HB   ASP  46          2HB       ASP  46  -6.476   0.840  -2.844
  363   2HB   ASP  46          3HB       ASP  46  -7.194   2.200  -1.988
  364    H    CYS  47           HN       CYS  47  -3.972   4.707  -3.303
  365    HA   CYS  47           HA       CYS  47  -5.636   6.688  -2.148
  366   1HB   CYS  47          2HB       CYS  47  -3.528   7.688  -3.922
  367   2HB   CYS  47          3HB       CYS  47  -3.785   7.983  -2.207
  368    H    LYS  48           HN       LYS  48  -5.298   5.421  -5.291
  369    HA   LYS  48           HA       LYS  48  -7.248   7.365  -6.309
  370   1HB   LYS  48          2HB       LYS  48  -4.831   7.821  -7.068
  371   2HB   LYS  48          3HB       LYS  48  -4.990   6.358  -8.029
  372   1HG   LYS  48          2HG       LYS  48  -7.207   8.219  -8.377
  373   2HG   LYS  48          3HG       LYS  48  -5.641   8.889  -8.840
  374   1HD   LYS  48          2HD       LYS  48  -5.441   7.519 -10.619
  375   2HD   LYS  48          3HD       LYS  48  -6.142   6.143  -9.765
  376   1HE   LYS  48          2HE       LYS  48  -8.358   7.505  -9.981
  377   2HE   LYS  48          3HE       LYS  48  -7.501   8.330 -11.283
  378   1HZ   LYS  48          1HZ       LYS  48  -7.186   5.529 -11.526
  379   2HZ   LYS  48          2HZ       LYS  48  -7.877   6.620 -12.618
  380   3HZ   LYS  48          3HZ       LYS  48  -8.832   5.909 -11.417
  381    H    SER  49           HN       SER  49  -8.942   6.400  -7.116
  382    HA   SER  49           HA       SER  49  -9.592   3.796  -7.054
  383   1HB   SER  49          2HB       SER  49 -11.295   5.321  -7.633
  384   2HB   SER  49          3HB       SER  49 -10.411   5.905  -9.041
  385    HG   SER  49           HG       SER  49 -11.578   4.499 -10.078
  386    H    CYS  50           HN       CYS  50  -7.984   2.350  -7.574
  387    HA   CYS  50           HA       CYS  50  -7.585   1.900 -10.436
  388   1HB   CYS  50          2HB       CYS  50  -5.170   1.487 -10.085
  389   2HB   CYS  50          3HB       CYS  50  -5.616   3.156  -9.751
  Start of MODEL   16
    1   1H    ASN   1          1H        ASN   1   1.864  17.659  -4.579
    2   2H    ASN   1          2H        ASN   1   1.063  16.549  -5.575
    3   3H    ASN   1          3H        ASN   1   1.699  16.047  -4.091
    4    HA   ASN   1           HA       ASN   1  -0.324  16.349  -3.270
    5   1HB   ASN   1          2HB       ASN   1   0.661  19.169  -3.688
    6   2HB   ASN   1          3HB       ASN   1  -0.825  18.822  -2.808
    7   1HD2  ASN   1          1HD2      ASN   1  -0.721  17.888  -0.793
    8   2HD2  ASN   1          2HD2      ASN   1   0.754  17.741   0.095
    9    H    LEU   2           HN       LEU   2   0.172  17.714  -6.388
   10    HA   LEU   2           HA       LEU   2  -2.449  18.633  -6.917
   11   1HB   LEU   2          2HB       LEU   2  -0.056  17.949  -8.545
   12   2HB   LEU   2          3HB       LEU   2  -1.598  18.039  -9.375
   13    HG   LEU   2           HG       LEU   2  -1.194  20.349  -7.674
   14   1HD1  LEU   2          1HD1      LEU   2   1.194  19.722  -8.242
   15   2HD1  LEU   2          2HD1      LEU   2   0.781  20.073  -9.920
   16   3HD1  LEU   2          3HD1      LEU   2   0.675  21.343  -8.702
   17   1HD2  LEU   2          1HD2      LEU   2  -1.292  20.469 -10.641
   18   2HD2  LEU   2          2HD2      LEU   2  -2.693  19.822  -9.787
   19   3HD2  LEU   2          3HD2      LEU   2  -2.125  21.455  -9.440
   20    H    MET   3           HN       MET   3  -1.013  15.486  -6.879
   21    HA   MET   3           HA       MET   3  -3.566  14.228  -7.204
   22   1HB   MET   3          2HB       MET   3  -1.928  14.602  -9.528
   23   2HB   MET   3          3HB       MET   3  -2.014  12.886  -9.156
   24   1HG   MET   3          2HG       MET   3  -4.212  12.744  -9.648
   25   2HG   MET   3          3HG       MET   3  -4.558  14.377  -9.084
   26   1HE   MET   3          1HE       MET   3  -5.633  15.946 -11.110
   27   2HE   MET   3          2HE       MET   3  -5.846  14.964 -12.560
   28   3HE   MET   3          3HE       MET   3  -6.226  14.290 -10.974
   29    H    LYS   4           HN       LYS   4  -3.057  11.685  -7.530
   30    HA   LYS   4           HA       LYS   4  -0.738  10.959  -5.892
   31   1HB   LYS   4          2HB       LYS   4  -2.658   9.238  -4.945
   32   2HB   LYS   4          3HB       LYS   4  -2.077  10.670  -4.109
   33   1HG   LYS   4          2HG       LYS   4  -4.461  10.691  -4.080
   34   2HG   LYS   4          3HG       LYS   4  -3.912  11.963  -5.172
   35   1HD   LYS   4          2HD       LYS   4  -4.586  10.808  -7.064
   36   2HD   LYS   4          3HD       LYS   4  -4.552   9.245  -6.243
   37   1HE   LYS   4          2HE       LYS   4  -6.766   9.456  -6.053
   38   2HE   LYS   4          3HE       LYS   4  -6.435  10.672  -4.821
   39   1HZ   LYS   4          1HZ       LYS   4  -6.875  12.379  -6.254
   40   2HZ   LYS   4          2HZ       LYS   4  -7.949  11.218  -6.854
   41   3HZ   LYS   4          3HZ       LYS   4  -6.476  11.491  -7.638
   42    H    ARG   5           HN       ARG   5  -0.309   8.600  -5.935
   43    HA   ARG   5           HA       ARG   5  -1.394   7.292  -8.333
   44   1HB   ARG   5          2HB       ARG   5   1.031   6.370  -8.594
   45   2HB   ARG   5          3HB       ARG   5   0.641   7.973  -9.204
   46   1HG   ARG   5          2HG       ARG   5   1.648   9.009  -7.288
   47   2HG   ARG   5          3HG       ARG   5   1.904   7.438  -6.525
   48   1HD   ARG   5          2HD       ARG   5   3.965   7.653  -7.420
   49   2HD   ARG   5          3HD       ARG   5   3.166   7.029  -8.862
   50    HE   ARG   5           HE       ARG   5   3.131   9.221  -9.754
   51   1HH1  ARG   5          2HH1      ARG   5   4.803   8.992  -6.705
   52   2HH1  ARG   5          1HH1      ARG   5   5.641  10.493  -6.906
   53   1HH2  ARG   5          2HH2      ARG   5   4.227  11.201 -10.025
   54   2HH2  ARG   5          1HH2      ARG   5   5.313  11.751  -8.793
   55    H    CYS   6           HN       CYS   6  -2.515   5.665  -7.473
   56    HA   CYS   6           HA       CYS   6  -2.139   4.373  -5.071
   57   1HB   CYS   6          2HB       CYS   6  -3.293   2.389  -6.290
   58   2HB   CYS   6          3HB       CYS   6  -4.166   3.907  -6.113
   59    H    THR   7           HN       THR   7  -0.614   3.081  -4.266
   60    HA   THR   7           HA       THR   7   1.132   1.647  -4.097
   61    HB   THR   7           HB       THR   7   1.072  -0.298  -5.277
   62    HG1  THR   7           1HG      THR   7   1.852   0.414  -7.236
   63   1HG2  THR   7          1HG2      THR   7  -1.288   0.321  -4.651
   64   2HG2  THR   7          2HG2      THR   7  -1.141  -0.859  -5.953
   65   3HG2  THR   7          3HG2      THR   7  -1.522   0.822  -6.326
   66    H    ARG   8           HN       ARG   8   3.287   1.559  -4.515
   67    HA   ARG   8           HA       ARG   8   4.280   3.410  -6.564
   68   1HB   ARG   8          2HB       ARG   8   6.490   2.894  -5.169
   69   2HB   ARG   8          3HB       ARG   8   5.329   4.105  -4.643
   70   1HG   ARG   8          2HG       ARG   8   5.070   1.287  -3.702
   71   2HG   ARG   8          3HG       ARG   8   6.243   2.368  -2.950
   72   1HD   ARG   8          2HD       ARG   8   4.647   3.597  -1.937
   73   2HD   ARG   8          3HD       ARG   8   3.544   3.480  -3.307
   74    HE   ARG   8           HE       ARG   8   3.924   1.153  -1.567
   75   1HH1  ARG   8          2HH1      ARG   8   1.889   3.686  -2.824
   76   2HH1  ARG   8          1HH1      ARG   8   0.432   3.015  -2.171
   77   1HH2  ARG   8          2HH2      ARG   8   2.013   0.272  -0.692
   78   2HH2  ARG   8          1HH2      ARG   8   0.503   1.076  -0.959
   79    H    GLY   9           HN       GLY   9   3.273   0.820  -7.145
   80   1HA   GLY   9          1HA       GLY   9   4.462  -0.295  -9.110
   81   2HA   GLY   9          2HA       GLY   9   5.686  -0.683  -7.906
   82    H    PHE  10           HN       PHE  10   2.709  -0.625  -6.455
   83    HA   PHE  10           HA       PHE  10   1.373  -2.215  -5.537
   84   1HB   PHE  10          2HB       PHE  10   0.992  -2.414  -8.158
   85   2HB   PHE  10          3HB       PHE  10   1.727  -3.994  -7.910
   86    HD1  PHE  10           1HD      PHE  10   0.702  -5.216  -5.700
   87    HD2  PHE  10           2HD      PHE  10  -1.290  -2.382  -8.174
   88    HE1  PHE  10           1HE      PHE  10  -1.472  -6.112  -4.972
   89    HE2  PHE  10           2HE      PHE  10  -3.467  -3.273  -7.450
   90    HZ   PHE  10           HZ       PHE  10  -3.559  -5.141  -5.847
   91    H    ARG  11           HN       ARG  11   2.834  -2.834  -3.872
   92    HA   ARG  11           HA       ARG  11   3.601  -5.573  -4.032
   93   1HB   ARG  11          2HB       ARG  11   6.033  -5.153  -3.523
   94   2HB   ARG  11          3HB       ARG  11   5.531  -4.777  -5.163
   95   1HG   ARG  11          2HG       ARG  11   6.478  -2.794  -4.900
   96   2HG   ARG  11          3HG       ARG  11   5.183  -2.400  -3.767
   97   1HD   ARG  11          2HD       ARG  11   6.541  -2.540  -1.996
   98   2HD   ARG  11          3HD       ARG  11   7.288  -4.025  -2.586
   99    HE   ARG  11           HE       ARG  11   8.075  -1.434  -3.726
  100   1HH1  ARG  11          2HH1      ARG  11   8.866  -4.326  -1.948
  101   2HH1  ARG  11          1HH1      ARG  11  10.574  -4.042  -1.995
  102   1HH2  ARG  11          2HH2      ARG  11  10.323  -1.052  -3.790
  103   2HH2  ARG  11          1HH2      ARG  11  11.402  -2.181  -3.039
  104    H    LYS  12           HN       LYS  12   1.888  -4.811  -2.278
  105    HA   LYS  12           HA       LYS  12   3.361  -4.455   0.251
  106   1HB   LYS  12          2HB       LYS  12   0.460  -3.825  -0.373
  107   2HB   LYS  12          3HB       LYS  12   1.195  -3.684   1.214
  108   1HG   LYS  12          2HG       LYS  12   0.997  -1.504   0.137
  109   2HG   LYS  12          3HG       LYS  12   2.689  -1.935   0.387
  110   1HD   LYS  12          2HD       LYS  12   2.002  -2.893  -2.163
  111   2HD   LYS  12          3HD       LYS  12   1.304  -1.279  -2.040
  112   1HE   LYS  12          2HE       LYS  12   3.604  -0.574  -1.143
  113   2HE   LYS  12          3HE       LYS  12   4.175  -2.111  -1.792
  114   1HZ   LYS  12          1HZ       LYS  12   3.855  -1.433  -3.930
  115   2HZ   LYS  12          2HZ       LYS  12   4.222   0.060  -3.225
  116   3HZ   LYS  12          3HZ       LYS  12   2.613  -0.354  -3.540
  117    H    LEU  13           HN       LEU  13   2.515  -5.816   2.094
  118    HA   LEU  13           HA       LEU  13   0.949  -8.133   1.246
  119   1HB   LEU  13          2HB       LEU  13   2.775  -9.632   2.254
  120   2HB   LEU  13          3HB       LEU  13   2.996  -9.004   0.631
  121    HG   LEU  13           HG       LEU  13   4.173  -7.095   2.301
  122   1HD1  LEU  13          1HD1      LEU  13   4.714  -8.157   4.181
  123   2HD1  LEU  13          2HD1      LEU  13   4.256  -9.727   3.525
  124   3HD1  LEU  13          3HD1      LEU  13   5.863  -9.075   3.208
  125   1HD2  LEU  13          1HD2      LEU  13   5.308  -9.298   0.590
  126   2HD2  LEU  13          2HD2      LEU  13   5.018  -7.618   0.140
  127   3HD2  LEU  13          3HD2      LEU  13   6.285  -8.014   1.302
  128    H    GLY  14           HN       GLY  14   0.346  -9.597   2.939
  129   1HA   GLY  14          1HA       GLY  14   0.141 -10.221   5.220
  130   2HA   GLY  14          2HA       GLY  14   0.700  -8.625   5.684
  131    H    LYS  15           HN       LYS  15  -1.981  -9.802   3.624
  132    HA   LYS  15           HA       LYS  15  -4.069  -8.725   3.407
  133   1HB   LYS  15          2HB       LYS  15  -3.827 -10.556   5.712
  134   2HB   LYS  15          3HB       LYS  15  -5.287  -9.576   5.672
  135   1HG   LYS  15          2HG       LYS  15  -5.054 -10.526   3.085
  136   2HG   LYS  15          3HG       LYS  15  -4.562 -11.889   4.093
  137   1HD   LYS  15          2HD       LYS  15  -6.978 -10.401   4.940
  138   2HD   LYS  15          3HD       LYS  15  -7.117 -11.378   3.477
  139   1HE   LYS  15          2HE       LYS  15  -6.095 -12.390   6.127
  140   2HE   LYS  15          3HE       LYS  15  -7.750 -12.588   5.551
  141   1HZ   LYS  15          1HZ       LYS  15  -5.492 -13.515   3.902
  142   2HZ   LYS  15          2HZ       LYS  15  -7.095 -14.053   3.913
  143   3HZ   LYS  15          3HZ       LYS  15  -6.054 -14.472   5.179
  144    H    CYS  16           HN       CYS  16  -3.608  -6.479   3.533
  145    HA   CYS  16           HA       CYS  16  -3.708  -4.369   4.377
  146   1HB   CYS  16          2HB       CYS  16  -6.099  -5.349   4.816
  147   2HB   CYS  16          3HB       CYS  16  -5.599  -5.313   6.505
  148    H    THR  17           HN       THR  17  -1.502  -5.420   5.143
  149    HA   THR  17           HA       THR  17  -1.132  -5.658   7.967
  150    HB   THR  17           HB       THR  17   0.464  -5.975   5.539
  151    HG1  THR  17           1HG      THR  17   0.990  -7.085   8.092
  152   1HG2  THR  17          1HG2      THR  17   1.778  -4.803   7.993
  153   2HG2  THR  17          2HG2      THR  17   1.832  -4.187   6.341
  154   3HG2  THR  17          3HG2      THR  17   2.656  -5.692   6.750
  155    H    THR  18           HN       THR  18   0.190  -4.271   9.282
  156    HA   THR  18           HA       THR  18  -0.490  -1.575   9.193
  157    HB   THR  18           HB       THR  18   1.548  -3.155  10.689
  158    HG1  THR  18           1HG      THR  18   0.193  -2.723  12.277
  159   1HG2  THR  18          1HG2      THR  18   2.655  -1.290  11.620
  160   2HG2  THR  18          2HG2      THR  18   1.509  -0.154  10.910
  161   3HG2  THR  18          3HG2      THR  18   2.663  -1.004   9.878
  162    H    LEU  19           HN       LEU  19   2.638  -3.081   8.391
  163    HA   LEU  19           HA       LEU  19   3.983  -0.847   7.491
  164   1HB   LEU  19          2HB       LEU  19   4.475  -3.561   7.584
  165   2HB   LEU  19          3HB       LEU  19   4.492  -3.225   5.864
  166    HG   LEU  19           HG       LEU  19   6.727  -3.135   7.060
  167   1HD1  LEU  19          1HD1      LEU  19   7.466  -1.825   5.405
  168   2HD1  LEU  19          2HD1      LEU  19   5.778  -1.777   4.896
  169   3HD1  LEU  19          3HD1      LEU  19   6.439  -0.473   5.883
  170   1HD2  LEU  19          1HD2      LEU  19   6.397  -0.381   7.866
  171   2HD2  LEU  19          2HD2      LEU  19   5.335  -1.452   8.780
  172   3HD2  LEU  19          3HD2      LEU  19   7.074  -1.743   8.760
  173    H    GLU  20           HN       GLU  20   1.386  -2.557   6.003
  174    HA   GLU  20           HA       GLU  20   1.867  -1.604   3.351
  175   1HB   GLU  20          2HB       GLU  20   0.463  -3.309   2.976
  176   2HB   GLU  20          3HB       GLU  20  -0.017  -3.358   4.664
  177   1HG   GLU  20          2HG       GLU  20  -1.997  -3.016   3.485
  178   2HG   GLU  20          3HG       GLU  20  -1.574  -1.425   4.113
  179    H    GLU  21           HN       GLU  21  -0.481  -0.738   5.893
  180    HA   GLU  21           HA       GLU  21  -1.583   1.464   4.509
  181   1HB   GLU  21          2HB       GLU  21  -2.658   2.040   6.542
  182   2HB   GLU  21          3HB       GLU  21  -2.563   0.285   6.539
  183   1HG   GLU  21          2HG       GLU  21  -1.045   0.223   8.240
  184   2HG   GLU  21          3HG       GLU  21  -0.396   1.820   7.870
  185    H    GLU  22           HN       GLU  22   1.179   1.042   6.600
  186    HA   GLU  22           HA       GLU  22   1.808   3.795   6.939
  187   1HB   GLU  22          2HB       GLU  22   2.980   1.195   7.631
  188   2HB   GLU  22          3HB       GLU  22   4.174   2.431   7.273
  189   1HG   GLU  22          2HG       GLU  22   2.122   3.475   8.990
  190   2HG   GLU  22          3HG       GLU  22   2.827   2.012   9.672
  191    H    LYS  23           HN       LYS  23   2.575   1.312   4.606
  192    HA   LYS  23           HA       LYS  23   4.744   2.445   3.300
  193   1HB   LYS  23          2HB       LYS  23   4.047   0.210   2.758
  194   2HB   LYS  23          3HB       LYS  23   2.461   0.767   2.241
  195   1HG   LYS  23          2HG       LYS  23   3.266   0.786   0.169
  196   2HG   LYS  23          3HG       LYS  23   4.262   2.163   0.661
  197   1HD   LYS  23          2HD       LYS  23   5.555   0.311  -0.369
  198   2HD   LYS  23          3HD       LYS  23   6.081   0.714   1.261
  199   1HE   LYS  23          2HE       LYS  23   4.662  -1.167   2.089
  200   2HE   LYS  23          3HE       LYS  23   4.362  -1.609   0.410
  201   1HZ   LYS  23          1HZ       LYS  23   7.138  -1.317   1.306
  202   2HZ   LYS  23          2HZ       LYS  23   6.492  -2.338   0.122
  203   3HZ   LYS  23          3HZ       LYS  23   6.290  -2.710   1.760
  204    H    CYS  24           HN       CYS  24   1.349   2.597   2.221
  205    HA   CYS  24           HA       CYS  24   1.845   4.749   0.431
  206   1HB   CYS  24          2HB       CYS  24  -0.165   2.989   0.643
  207   2HB   CYS  24          3HB       CYS  24  -0.894   4.359   1.472
  208    H    LYS  25           HN       LYS  25   1.353   4.650   3.817
  209    HA   LYS  25           HA       LYS  25   0.113   7.192   4.133
  210   1HB   LYS  25          2HB       LYS  25   0.744   5.078   5.812
  211   2HB   LYS  25          3HB       LYS  25   1.787   6.376   6.373
  212   1HG   LYS  25          2HG       LYS  25  -0.279   6.389   7.609
  213   2HG   LYS  25          3HG       LYS  25  -0.181   7.833   6.601
  214   1HD   LYS  25          2HD       LYS  25  -1.477   5.574   5.277
  215   2HD   LYS  25          3HD       LYS  25  -2.317   6.107   6.735
  216   1HE   LYS  25          2HE       LYS  25  -1.561   7.807   4.360
  217   2HE   LYS  25          3HE       LYS  25  -3.184   7.289   4.812
  218   1HZ   LYS  25          1HZ       LYS  25  -2.378   8.512   7.048
  219   2HZ   LYS  25          2HZ       LYS  25  -3.245   9.278   5.815
  220   3HZ   LYS  25          3HZ       LYS  25  -1.562   9.432   5.885
  221    H    THR  26           HN       THR  26   3.377   6.299   5.223
  222    HA   THR  26           HA       THR  26   4.352   8.903   5.365
  223    HB   THR  26           HB       THR  26   6.619   7.890   5.326
  224    HG1  THR  26           1HG      THR  26   6.877   5.766   4.865
  225   1HG2  THR  26          1HG2      THR  26   6.374   7.293   7.473
  226   2HG2  THR  26          2HG2      THR  26   5.261   5.986   7.071
  227   3HG2  THR  26          3HG2      THR  26   4.659   7.634   7.243
  228    H    LEU  27           HN       LEU  27   4.041   6.753   2.639
  229    HA   LEU  27           HA       LEU  27   5.822   8.260   0.949
  230   1HB   LEU  27          2HB       LEU  27   4.432   5.751   0.848
  231   2HB   LEU  27          3HB       LEU  27   4.112   6.659  -0.615
  232    HG   LEU  27           HG       LEU  27   6.789   6.958  -0.390
  233   1HD1  LEU  27          1HD1      LEU  27   7.730   4.748   0.109
  234   2HD1  LEU  27          2HD1      LEU  27   6.930   5.446   1.517
  235   3HD1  LEU  27          3HD1      LEU  27   6.128   4.181   0.583
  236   1HD2  LEU  27          1HD2      LEU  27   5.210   6.134  -2.282
  237   2HD2  LEU  27          2HD2      LEU  27   6.919   5.706  -2.311
  238   3HD2  LEU  27          3HD2      LEU  27   5.726   4.535  -1.751
  239    H    TYR  28           HN       TYR  28   2.372   8.089   1.547
  240    HA   TYR  28           HA       TYR  28   2.014  10.487  -0.097
  241   1HB   TYR  28          2HB       TYR  28   0.027   8.231  -0.252
  242   2HB   TYR  28          3HB       TYR  28   0.218   9.603  -1.336
  243    HD1  TYR  28           1HD      TYR  28   1.418   6.251  -0.471
  244    HD2  TYR  28           2HD      TYR  28   1.982   9.610  -3.028
  245    HE1  TYR  28           1HE      TYR  28   2.779   4.874  -1.982
  246    HE2  TYR  28           2HE      TYR  28   3.339   8.237  -4.546
  247    HH   TYR  28           HH       TYR  28   4.258   6.252  -4.905
  248    HA   PRO  29           HA       PRO  29  -0.292  11.286   3.717
  249   1HB   PRO  29          2HB       PRO  29  -0.086  13.944   3.684
  250   2HB   PRO  29          3HB       PRO  29   1.315  12.932   4.057
  251   1HG   PRO  29          2HG       PRO  29   0.600  14.308   1.499
  252   2HG   PRO  29          3HG       PRO  29   2.180  14.167   2.288
  253   1HD   PRO  29          2HD       PRO  29   1.316  12.575   0.200
  254   2HD   PRO  29          3HD       PRO  29   2.586  12.125   1.352
  255    H    ARG  30           HN       ARG  30  -1.796  10.536   1.560
  256    HA   ARG  30           HA       ARG  30  -3.616  12.654   0.782
  257   1HB   ARG  30          2HB       ARG  30  -2.888  10.077  -0.174
  258   2HB   ARG  30          3HB       ARG  30  -4.609  10.045   0.166
  259   1HG   ARG  30          2HG       ARG  30  -3.238  12.067  -1.603
  260   2HG   ARG  30          3HG       ARG  30  -4.086  10.621  -2.170
  261   1HD   ARG  30          2HD       ARG  30  -5.832  12.036  -2.337
  262   2HD   ARG  30          3HD       ARG  30  -5.994  11.718  -0.611
  263    HE   ARG  30           HE       ARG  30  -4.778  13.806  -0.227
  264   1HH1  ARG  30          2HH1      ARG  30  -6.163  13.283  -3.383
  265   2HH1  ARG  30          1HH1      ARG  30  -6.246  14.970  -3.768
  266   1HH2  ARG  30          2HH2      ARG  30  -4.889  16.029  -0.725
  267   2HH2  ARG  30          1HH2      ARG  30  -5.523  16.529  -2.257
  268    H    GLY  31           HN       GLY  31  -5.948  11.070   0.670
  269   1HA   GLY  31          1HA       GLY  31  -6.649  10.742   3.516
  270   2HA   GLY  31          2HA       GLY  31  -7.719  11.554   2.376
  271    H    GLN  32           HN       GLN  32  -6.398   9.390   0.482
  272    HA   GLN  32           HA       GLN  32  -8.089   7.128   1.260
  273   1HB   GLN  32          2HB       GLN  32  -7.953   8.212  -1.556
  274   2HB   GLN  32          3HB       GLN  32  -8.954   6.886  -0.982
  275   1HG   GLN  32          2HG       GLN  32 -10.437   8.288   0.087
  276   2HG   GLN  32          3HG       GLN  32  -9.267   9.601   0.213
  277   1HE2  GLN  32          1HE2      GLN  32 -11.378  10.630  -0.597
  278   2HE2  GLN  32          2HE2      GLN  32 -11.508  10.812  -2.310
  279    H    CYS  33           HN       CYS  33  -5.129   7.942   1.030
  280    HA   CYS  33           HA       CYS  33  -4.171   5.778  -0.715
  281   1HB   CYS  33          2HB       CYS  33  -2.718   8.061   0.650
  282   2HB   CYS  33          3HB       CYS  33  -1.906   6.786  -0.247
  283    H    THR  34           HN       THR  34  -5.272   4.457   1.116
  284    HA   THR  34           HA       THR  34  -3.310   3.985   3.256
  285    HB   THR  34           HB       THR  34  -5.437   4.805   4.096
  286    HG1  THR  34           1HG      THR  34  -5.362   3.420   5.718
  287   1HG2  THR  34          1HG2      THR  34  -7.504   3.916   3.631
  288   2HG2  THR  34          2HG2      THR  34  -6.856   2.322   3.244
  289   3HG2  THR  34          3HG2      THR  34  -6.687   3.646   2.091
  290    H    CYS  35           HN       CYS  35  -5.343   1.512   3.635
  291    HA   CYS  35           HA       CYS  35  -3.651  -0.270   2.050
  292   1HB   CYS  35          2HB       CYS  35  -3.606  -1.391   3.992
  293   2HB   CYS  35          3HB       CYS  35  -4.918  -0.423   4.657
  294    H    SER  36           HN       SER  36  -4.463  -1.841   0.691
  295    HA   SER  36           HA       SER  36  -7.321  -2.022   0.215
  296   1HB   SER  36          2HB       SER  36  -6.462  -0.125  -1.224
  297   2HB   SER  36          3HB       SER  36  -5.477  -1.315  -2.075
  298    HG   SER  36           HG       SER  36  -7.186  -1.719  -3.208
  299    H    ASP  37           HN       ASP  37  -7.530  -4.155   0.458
  300    HA   ASP  37           HA       ASP  37  -5.632  -5.914  -0.949
  301   1HB   ASP  37          2HB       ASP  37  -5.623  -6.080   1.545
  302   2HB   ASP  37          3HB       ASP  37  -7.305  -6.596   1.476
  303    H    SER  38           HN       SER  38  -6.518  -8.003  -1.664
  304    HA   SER  38           HA       SER  38  -9.361  -7.857  -2.408
  305   1HB   SER  38          2HB       SER  38  -7.719  -7.247  -4.287
  306   2HB   SER  38          3HB       SER  38  -7.244  -8.944  -4.258
  307    HG   SER  38           HG       SER  38  -9.713  -9.208  -4.408
  308    H    LYS  39           HN       LYS  39  -7.530  -9.350  -0.437
  309    HA   LYS  39           HA       LYS  39  -7.558 -11.362   0.612
  310   1HB   LYS  39          2HB       LYS  39  -9.769 -12.019  -1.342
  311   2HB   LYS  39          3HB       LYS  39  -9.330 -12.994   0.054
  312   1HG   LYS  39          2HG       LYS  39  -9.800 -10.892   1.436
  313   2HG   LYS  39          3HG       LYS  39 -10.600 -10.282  -0.014
  314   1HD   LYS  39          2HD       LYS  39 -12.109 -12.178  -0.019
  315   2HD   LYS  39          3HD       LYS  39 -11.265 -12.884   1.361
  316   1HE   LYS  39          2HE       LYS  39 -11.939 -11.038   2.766
  317   2HE   LYS  39          3HE       LYS  39 -12.675 -10.219   1.389
  318   1HZ   LYS  39          1HZ       LYS  39 -13.638 -12.517   2.919
  319   2HZ   LYS  39          2HZ       LYS  39 -14.004 -12.468   1.268
  320   3HZ   LYS  39          3HZ       LYS  39 -14.498 -11.207   2.280
  321    H    MET  40           HN       MET  40  -5.431 -11.312  -0.638
  322    HA   MET  40           HA       MET  40  -5.130 -13.898  -1.927
  323   1HB   MET  40          2HB       MET  40  -4.817 -11.305  -3.326
  324   2HB   MET  40          3HB       MET  40  -3.564 -12.502  -3.608
  325   1HG   MET  40          2HG       MET  40  -5.220 -14.102  -4.365
  326   2HG   MET  40          3HG       MET  40  -6.511 -12.954  -4.017
  327   1HE   MET  40          1HE       MET  40  -4.312 -14.517  -6.150
  328   2HE   MET  40          2HE       MET  40  -4.861 -13.930  -7.720
  329   3HE   MET  40          3HE       MET  40  -3.377 -13.294  -7.011
  330    H    ASN  41           HN       ASN  41  -4.296 -12.207   0.490
  331    HA   ASN  41           HA       ASN  41  -2.544 -12.292   1.951
  332   1HB   ASN  41          2HB       ASN  41  -1.940 -14.498   1.046
  333   2HB   ASN  41          3HB       ASN  41  -1.048 -13.723  -0.259
  334   1HD2  ASN  41          1HD2      ASN  41   1.038 -13.464   0.036
  335   2HD2  ASN  41          2HD2      ASN  41   1.860 -13.464   1.556
  336    H    THR  42           HN       THR  42  -1.772 -11.417  -1.384
  337    HA   THR  42           HA       THR  42  -0.046  -9.274  -0.358
  338    HB   THR  42           HB       THR  42   0.329  -9.125  -3.033
  339    HG1  THR  42           1HG      THR  42  -0.645 -11.667  -2.475
  340   1HG2  THR  42          1HG2      THR  42   2.299 -10.821  -2.476
  341   2HG2  THR  42          2HG2      THR  42   1.739 -10.530  -0.829
  342   3HG2  THR  42          3HG2      THR  42   2.267  -9.178  -1.833
  343    H    HIS  43           HN       HIS  43  -0.454  -7.195  -0.809
  344    HA   HIS  43           HA       HIS  43  -2.632  -6.423  -2.579
  345   1HB   HIS  43          2HB       HIS  43  -3.519  -4.964  -0.624
  346   2HB   HIS  43          3HB       HIS  43  -3.940  -6.674  -0.629
  347    HD1  HIS  43           1HD      HIS  43  -2.168  -8.174   0.833
  348    HD2  HIS  43           2HD      HIS  43  -2.459  -4.135   1.737
  349    HE1  HIS  43           1HE      HIS  43  -1.187  -7.914   3.112
  350    HE2  HIS  43           2HE      HIS  43  -1.272  -5.454   3.603
  351    H    SER  44           HN       SER  44  -2.871  -3.815  -1.947
  352    HA   SER  44           HA       SER  44  -0.301  -2.650  -1.431
  353   1HB   SER  44          2HB       SER  44  -0.158  -1.398  -3.559
  354   2HB   SER  44          3HB       SER  44   0.018  -3.143  -3.775
  355    HG   SER  44           HG       SER  44  -2.576  -2.210  -3.950
  356    H    CYS  45           HN       CYS  45  -1.171  -0.133  -2.851
  357    HA   CYS  45           HA       CYS  45  -3.260   0.617  -0.915
  358   1HB   CYS  45          2HB       CYS  45  -1.530   1.845  -0.093
  359   2HB   CYS  45          3HB       CYS  45  -0.688   1.896  -1.639
  360    H    ASP  46           HN       ASP  46  -4.836   2.078  -1.524
  361    HA   ASP  46           HA       ASP  46  -5.207   2.356  -4.424
  362   1HB   ASP  46          2HB       ASP  46  -6.976   1.223  -2.977
  363   2HB   ASP  46          3HB       ASP  46  -7.289   2.810  -2.283
  364    H    CYS  47           HN       CYS  47  -3.365   4.020  -3.531
  365    HA   CYS  47           HA       CYS  47  -3.987   6.461  -2.445
  366   1HB   CYS  47          2HB       CYS  47  -1.778   5.395  -3.596
  367   2HB   CYS  47          3HB       CYS  47  -2.262   6.539  -4.846
  368    H    LYS  48           HN       LYS  48  -4.694   5.185  -5.540
  369    HA   LYS  48           HA       LYS  48  -6.406   7.463  -6.167
  370   1HB   LYS  48          2HB       LYS  48  -4.054   7.662  -7.240
  371   2HB   LYS  48          3HB       LYS  48  -4.585   6.357  -8.290
  372   1HG   LYS  48          2HG       LYS  48  -6.653   8.224  -8.354
  373   2HG   LYS  48          3HG       LYS  48  -5.164   9.172  -8.417
  374   1HD   LYS  48          2HD       LYS  48  -4.405   8.001 -10.342
  375   2HD   LYS  48          3HD       LYS  48  -5.680   6.790 -10.189
  376   1HE   LYS  48          2HE       LYS  48  -6.261   9.706 -10.637
  377   2HE   LYS  48          3HE       LYS  48  -5.997   8.579 -11.967
  378   1HZ   LYS  48          1HZ       LYS  48  -8.171   8.551  -9.959
  379   2HZ   LYS  48          2HZ       LYS  48  -7.820   7.207 -10.922
  380   3HZ   LYS  48          3HZ       LYS  48  -8.302   8.659 -11.643
  381    H    SER  49           HN       SER  49  -8.173   6.955  -7.305
  382    HA   SER  49           HA       SER  49  -9.189   4.369  -7.227
  383   1HB   SER  49          2HB       SER  49 -10.828   6.001  -7.392
  384   2HB   SER  49          3HB       SER  49  -9.973   6.876  -8.662
  385    HG   SER  49           HG       SER  49 -11.884   5.657  -9.334
  386    H    CYS  50           HN       CYS  50  -7.834   2.856  -8.142
  387    HA   CYS  50           HA       CYS  50  -7.784   2.838 -11.074
  388   1HB   CYS  50          2HB       CYS  50  -5.454   2.027 -11.056
  389   2HB   CYS  50          3HB       CYS  50  -5.589   3.644 -10.374
  Start of MODEL   17
    1   1H    ASN   1          1H        ASN   1   0.394  18.742 -13.452
    2   2H    ASN   1          2H        ASN   1  -0.920  18.087 -14.291
    3   3H    ASN   1          3H        ASN   1   0.459  17.148 -14.017
    4    HA   ASN   1           HA       ASN   1   0.017  17.459 -11.564
    5   1HB   ASN   1          2HB       ASN   1  -1.634  19.339 -12.147
    6   2HB   ASN   1          3HB       ASN   1  -2.768  18.056 -12.556
    7   1HD2  ASN   1          1HD2      ASN   1  -0.489  18.804  -9.937
    8   2HD2  ASN   1          2HD2      ASN   1  -1.586  18.441  -8.652
    9    H    LEU   2           HN       LEU   2  -0.214  15.460 -10.789
   10    HA   LEU   2           HA       LEU   2  -1.885  13.559 -12.298
   11   1HB   LEU   2          2HB       LEU   2   0.924  13.462 -11.729
   12   2HB   LEU   2          3HB       LEU   2   0.124  12.132 -10.911
   13    HG   LEU   2           HG       LEU   2  -0.924  12.177 -13.526
   14   1HD1  LEU   2          1HD1      LEU   2   2.009  11.934 -13.839
   15   2HD1  LEU   2          2HD1      LEU   2   0.779  12.442 -14.998
   16   3HD1  LEU   2          3HD1      LEU   2   1.340  13.564 -13.758
   17   1HD2  LEU   2          1HD2      LEU   2  -0.297   9.978 -13.526
   18   2HD2  LEU   2          2HD2      LEU   2   1.251  10.303 -12.747
   19   3HD2  LEU   2          3HD2      LEU   2  -0.234  10.312 -11.796
   20    H    MET   3           HN       MET   3  -1.874  15.254  -9.609
   21    HA   MET   3           HA       MET   3  -2.810  15.081  -7.548
   22   1HB   MET   3          2HB       MET   3  -4.170  12.905  -9.083
   23   2HB   MET   3          3HB       MET   3  -4.441  13.017  -7.349
   24   1HG   MET   3          2HG       MET   3  -6.173  14.274  -8.147
   25   2HG   MET   3          3HG       MET   3  -4.952  15.517  -7.879
   26   1HE   MET   3          1HE       MET   3  -7.397  15.914  -9.307
   27   2HE   MET   3          2HE       MET   3  -7.143  16.479 -10.959
   28   3HE   MET   3          3HE       MET   3  -7.642  14.814 -10.663
   29    H    LYS   4           HN       LYS   4  -2.998  11.605  -7.794
   30    HA   LYS   4           HA       LYS   4  -0.639  11.348  -6.058
   31   1HB   LYS   4          2HB       LYS   4  -2.539   9.339  -5.357
   32   2HB   LYS   4          3HB       LYS   4  -1.859  10.605  -4.346
   33   1HG   LYS   4          2HG       LYS   4  -4.018  11.197  -4.140
   34   2HG   LYS   4          3HG       LYS   4  -3.708  12.033  -5.663
   35   1HD   LYS   4          2HD       LYS   4  -4.524  10.039  -6.879
   36   2HD   LYS   4          3HD       LYS   4  -4.915   9.289  -5.330
   37   1HE   LYS   4          2HE       LYS   4  -6.007  11.993  -5.958
   38   2HE   LYS   4          3HE       LYS   4  -6.747  10.574  -6.699
   39   1HZ   LYS   4          1HZ       LYS   4  -7.493  11.511  -4.350
   40   2HZ   LYS   4          2HZ       LYS   4  -6.275  10.460  -3.826
   41   3HZ   LYS   4          3HZ       LYS   4  -7.572   9.865  -4.735
   42    H    ARG   5           HN       ARG   5  -0.343   8.759  -5.743
   43    HA   ARG   5           HA       ARG   5  -0.730   7.403  -8.295
   44   1HB   ARG   5          2HB       ARG   5   1.781   6.693  -8.073
   45   2HB   ARG   5          3HB       ARG   5   1.356   8.215  -8.845
   46   1HG   ARG   5          2HG       ARG   5   2.168   9.478  -7.118
   47   2HG   ARG   5          3HG       ARG   5   1.910   8.206  -5.922
   48   1HD   ARG   5          2HD       ARG   5   4.038   7.604  -6.117
   49   2HD   ARG   5          3HD       ARG   5   3.768   7.227  -7.818
   50    HE   ARG   5           HE       ARG   5   4.303   9.634  -8.236
   51   1HH1  ARG   5          2HH1      ARG   5   5.487   8.001  -5.396
   52   2HH1  ARG   5          1HH1      ARG   5   6.864   9.037  -5.217
   53   1HH2  ARG   5          2HH2      ARG   5   6.112  11.002  -8.010
   54   2HH2  ARG   5          1HH2      ARG   5   7.219  10.742  -6.703
   55    H    CYS   6           HN       CYS   6  -2.128   6.043  -7.121
   56    HA   CYS   6           HA       CYS   6  -1.693   4.719  -4.759
   57   1HB   CYS   6          2HB       CYS   6  -3.047   2.812  -5.915
   58   2HB   CYS   6          3HB       CYS   6  -3.807   4.382  -5.674
   59    H    THR   7           HN       THR   7  -0.180   3.341  -4.051
   60    HA   THR   7           HA       THR   7   1.510   1.831  -3.996
   61    HB   THR   7           HB       THR   7   1.185  -0.155  -5.061
   62    HG1  THR   7           1HG      THR   7   0.091   0.184  -7.386
   63   1HG2  THR   7          1HG2      THR   7  -1.100  -0.593  -5.363
   64   2HG2  THR   7          2HG2      THR   7  -1.423   1.035  -5.959
   65   3HG2  THR   7          3HG2      THR   7  -1.060   0.776  -4.253
   66    H    ARG   8           HN       ARG   8   3.609   1.476  -4.717
   67    HA   ARG   8           HA       ARG   8   4.467   3.244  -6.899
   68   1HB   ARG   8          2HB       ARG   8   6.024   1.930  -4.664
   69   2HB   ARG   8          3HB       ARG   8   6.767   2.854  -5.963
   70   1HG   ARG   8          2HG       ARG   8   6.365   4.765  -4.926
   71   2HG   ARG   8          3HG       ARG   8   4.660   4.358  -4.711
   72   1HD   ARG   8          2HD       ARG   8   5.830   4.725  -2.575
   73   2HD   ARG   8          3HD       ARG   8   5.165   3.103  -2.721
   74    HE   ARG   8           HE       ARG   8   8.008   3.823  -2.892
   75   1HH1  ARG   8          2HH1      ARG   8   5.501   1.418  -2.614
   76   2HH1  ARG   8          1HH1      ARG   8   6.598   0.136  -2.219
   77   1HH2  ARG   8          2HH2      ARG   8   9.455   2.143  -2.374
   78   2HH2  ARG   8          1HH2      ARG   8   8.845   0.550  -2.080
   79    H    GLY   9           HN       GLY   9   3.137   0.729  -7.234
   80   1HA   GLY   9          1HA       GLY   9   3.816  -0.498  -9.350
   81   2HA   GLY   9          2HA       GLY   9   5.251  -0.937  -8.429
   82    H    PHE  10           HN       PHE  10   2.429  -0.674  -6.562
   83    HA   PHE  10           HA       PHE  10   1.173  -2.185  -5.412
   84   1HB   PHE  10          2HB       PHE  10   0.647  -2.657  -7.982
   85   2HB   PHE  10          3HB       PHE  10   1.414  -4.194  -7.605
   86    HD1  PHE  10           1HD      PHE  10   0.514  -5.220  -5.268
   87    HD2  PHE  10           2HD      PHE  10  -1.624  -2.597  -7.844
   88    HE1  PHE  10           1HE      PHE  10  -1.609  -6.051  -4.343
   89    HE2  PHE  10           2HE      PHE  10  -3.753  -3.420  -6.925
   90    HZ   PHE  10           HZ       PHE  10  -3.747  -5.150  -5.170
   91    H    ARG  11           HN       ARG  11   2.836  -2.571  -3.824
   92    HA   ARG  11           HA       ARG  11   3.754  -5.305  -3.913
   93   1HB   ARG  11          2HB       ARG  11   6.131  -4.607  -3.367
   94   2HB   ARG  11          3HB       ARG  11   5.609  -4.372  -5.025
   95   1HG   ARG  11          2HG       ARG  11   6.298  -2.275  -4.868
   96   2HG   ARG  11          3HG       ARG  11   4.988  -1.985  -3.718
   97   1HD   ARG  11          2HD       ARG  11   6.454  -1.701  -2.083
   98   2HD   ARG  11          3HD       ARG  11   7.109  -3.312  -2.372
   99    HE   ARG  11           HE       ARG  11   8.047  -0.936  -3.847
  100   1HH1  ARG  11          2HH1      ARG  11   8.653  -3.851  -2.034
  101   2HH1  ARG  11          1HH1      ARG  11  10.370  -3.783  -2.256
  102   1HH2  ARG  11          2HH2      ARG  11  10.306  -0.840  -4.141
  103   2HH2  ARG  11          1HH2      ARG  11  11.309  -2.072  -3.452
  104    H    LYS  12           HN       LYS  12   1.954  -4.650  -2.154
  105    HA   LYS  12           HA       LYS  12   3.405  -4.239   0.382
  106   1HB   LYS  12          2HB       LYS  12   0.491  -3.731  -0.288
  107   2HB   LYS  12          3HB       LYS  12   1.143  -3.665   1.339
  108   1HG   LYS  12          2HG       LYS  12   0.863  -1.437   0.308
  109   2HG   LYS  12          3HG       LYS  12   2.531  -1.780   0.764
  110   1HD   LYS  12          2HD       LYS  12   3.200  -2.046  -1.458
  111   2HD   LYS  12          3HD       LYS  12   1.545  -2.289  -2.021
  112   1HE   LYS  12          2HE       LYS  12   1.302  -0.113  -2.401
  113   2HE   LYS  12          3HE       LYS  12   1.782   0.272  -0.749
  114   1HZ   LYS  12          1HZ       LYS  12   4.115   0.098  -1.482
  115   2HZ   LYS  12          2HZ       LYS  12   3.272   1.332  -2.273
  116   3HZ   LYS  12          3HZ       LYS  12   3.585  -0.123  -3.074
  117    H    LEU  13           HN       LEU  13   2.876  -5.780   2.130
  118    HA   LEU  13           HA       LEU  13   1.301  -8.100   1.282
  119   1HB   LEU  13          2HB       LEU  13   3.243  -9.570   2.119
  120   2HB   LEU  13          3HB       LEU  13   3.323  -8.879   0.509
  121    HG   LEU  13           HG       LEU  13   4.540  -7.064   2.365
  122   1HD1  LEU  13          1HD1      LEU  13   5.286  -8.568   3.878
  123   2HD1  LEU  13          2HD1      LEU  13   5.138  -9.928   2.766
  124   3HD1  LEU  13          3HD1      LEU  13   6.523  -8.843   2.651
  125   1HD2  LEU  13          1HD2      LEU  13   6.299  -8.528   0.570
  126   2HD2  LEU  13          2HD2      LEU  13   4.857  -7.910  -0.235
  127   3HD2  LEU  13          3HD2      LEU  13   5.924  -6.807   0.634
  128    H    GLY  14           HN       GLY  14   0.741  -9.597   2.905
  129   1HA   GLY  14          1HA       GLY  14   0.745 -10.353   5.180
  130   2HA   GLY  14          2HA       GLY  14   1.204  -8.735   5.683
  131    H    LYS  15           HN       LYS  15  -1.420  -9.846   3.542
  132    HA   LYS  15           HA       LYS  15  -3.593  -9.029   3.463
  133   1HB   LYS  15          2HB       LYS  15  -3.105 -10.955   5.551
  134   2HB   LYS  15          3HB       LYS  15  -4.456  -9.919   5.988
  135   1HG   LYS  15          2HG       LYS  15  -4.829 -10.622   3.294
  136   2HG   LYS  15          3HG       LYS  15  -4.365 -12.097   4.146
  137   1HD   LYS  15          2HD       LYS  15  -6.140 -11.781   5.750
  138   2HD   LYS  15          3HD       LYS  15  -6.553 -10.221   5.037
  139   1HE   LYS  15          2HE       LYS  15  -8.128 -11.861   4.268
  140   2HE   LYS  15          3HE       LYS  15  -7.096 -11.389   2.918
  141   1HZ   LYS  15          1HZ       LYS  15  -6.978 -13.618   2.677
  142   2HZ   LYS  15          2HZ       LYS  15  -7.285 -13.942   4.308
  143   3HZ   LYS  15          3HZ       LYS  15  -5.738 -13.466   3.819
  144    H    CYS  16           HN       CYS  16  -3.177  -6.755   3.549
  145    HA   CYS  16           HA       CYS  16  -3.274  -4.643   4.382
  146   1HB   CYS  16          2HB       CYS  16  -5.677  -5.828   4.848
  147   2HB   CYS  16          3HB       CYS  16  -5.236  -5.330   6.480
  148    H    THR  17           HN       THR  17  -1.123  -5.732   5.295
  149    HA   THR  17           HA       THR  17  -0.911  -5.913   8.133
  150    HB   THR  17           HB       THR  17   0.829  -6.253   5.808
  151    HG1  THR  17           1HG      THR  17   1.068  -7.321   8.437
  152   1HG2  THR  17          1HG2      THR  17   2.947  -5.926   7.105
  153   2HG2  THR  17          2HG2      THR  17   2.008  -5.085   8.337
  154   3HG2  THR  17          3HG2      THR  17   2.111  -4.425   6.704
  155    H    THR  18           HN       THR  18   0.345  -4.507   9.497
  156    HA   THR  18           HA       THR  18  -0.361  -1.845   9.436
  157    HB   THR  18           HB       THR  18   1.795  -3.355  10.843
  158    HG1  THR  18           1HG      THR  18   0.387  -3.149  12.410
  159   1HG2  THR  18          1HG2      THR  18   2.833  -1.470  11.767
  160   2HG2  THR  18          2HG2      THR  18   1.558  -0.384  11.214
  161   3HG2  THR  18          3HG2      THR  18   2.694  -1.072  10.053
  162    H    LEU  19           HN       LEU  19   2.870  -3.138   8.644
  163    HA   LEU  19           HA       LEU  19   4.108  -0.875   7.750
  164   1HB   LEU  19          2HB       LEU  19   4.725  -3.513   7.745
  165   2HB   LEU  19          3HB       LEU  19   4.530  -3.219   6.027
  166    HG   LEU  19           HG       LEU  19   6.110  -1.114   7.088
  167   1HD1  LEU  19          1HD1      LEU  19   6.372  -3.439   8.602
  168   2HD1  LEU  19          2HD1      LEU  19   7.788  -3.384   7.549
  169   3HD1  LEU  19          3HD1      LEU  19   7.423  -2.022   8.611
  170   1HD2  LEU  19          1HD2      LEU  19   6.586  -3.429   5.231
  171   2HD2  LEU  19          2HD2      LEU  19   6.319  -1.733   4.826
  172   3HD2  LEU  19          3HD2      LEU  19   7.831  -2.231   5.585
  173    H    GLU  20           HN       GLU  20   1.833  -2.885   6.008
  174    HA   GLU  20           HA       GLU  20   2.171  -1.627   3.511
  175   1HB   GLU  20          2HB       GLU  20  -0.403  -2.899   4.407
  176   2HB   GLU  20          3HB       GLU  20   0.259  -2.810   2.781
  177   1HG   GLU  20          2HG       GLU  20   0.956  -4.627   5.019
  178   2HG   GLU  20          3HG       GLU  20   0.696  -4.987   3.314
  179    H    GLU  21           HN       GLU  21  -0.350  -1.155   6.004
  180    HA   GLU  21           HA       GLU  21  -1.646   0.972   4.693
  181   1HB   GLU  21          2HB       GLU  21  -2.799   1.363   6.710
  182   2HB   GLU  21          3HB       GLU  21  -2.461  -0.361   6.721
  183   1HG   GLU  21          2HG       GLU  21  -0.859  -0.169   8.373
  184   2HG   GLU  21          3HG       GLU  21  -0.613   1.552   8.076
  185    H    GLU  22           HN       GLU  22   1.175   0.805   6.750
  186    HA   GLU  22           HA       GLU  22   1.512   3.577   7.194
  187   1HB   GLU  22          2HB       GLU  22   3.024   1.119   7.648
  188   2HB   GLU  22          3HB       GLU  22   4.056   2.468   7.201
  189   1HG   GLU  22          2HG       GLU  22   2.158   3.353   9.132
  190   2HG   GLU  22          3HG       GLU  22   2.936   1.882   9.713
  191    H    LYS  23           HN       LYS  23   2.638   1.305   4.744
  192    HA   LYS  23           HA       LYS  23   4.349   2.937   3.300
  193   1HB   LYS  23          2HB       LYS  23   4.111   0.556   2.808
  194   2HB   LYS  23          3HB       LYS  23   2.447   0.805   2.290
  195   1HG   LYS  23          2HG       LYS  23   3.165   1.146   0.216
  196   2HG   LYS  23          3HG       LYS  23   4.102   2.537   0.781
  197   1HD   LYS  23          2HD       LYS  23   5.551   0.958  -0.327
  198   2HD   LYS  23          3HD       LYS  23   5.945   1.018   1.386
  199   1HE   LYS  23          2HE       LYS  23   3.936  -0.988   0.763
  200   2HE   LYS  23          3HE       LYS  23   5.444  -1.253  -0.110
  201   1HZ   LYS  23          1HZ       LYS  23   6.645  -1.293   1.933
  202   2HZ   LYS  23          2HZ       LYS  23   5.338  -2.354   2.092
  203   3HZ   LYS  23          3HZ       LYS  23   5.283  -0.830   2.823
  204    H    CYS  24           HN       CYS  24   0.863   2.449   2.962
  205    HA   CYS  24           HA       CYS  24   0.337   4.189   0.888
  206   1HB   CYS  24          2HB       CYS  24  -1.524   4.001   3.229
  207   2HB   CYS  24          3HB       CYS  24  -1.903   4.039   1.507
  208    H    LYS  25           HN       LYS  25   0.746   4.864   4.319
  209    HA   LYS  25           HA       LYS  25   0.043   7.636   4.083
  210   1HB   LYS  25          2HB       LYS  25   0.896   5.795   6.228
  211   2HB   LYS  25          3HB       LYS  25   1.323   7.485   6.463
  212   1HG   LYS  25          2HG       LYS  25  -0.765   7.147   7.522
  213   2HG   LYS  25          3HG       LYS  25  -1.085   8.053   6.042
  214   1HD   LYS  25          2HD       LYS  25  -1.208   5.098   5.860
  215   2HD   LYS  25          3HD       LYS  25  -2.496   5.896   6.763
  216   1HE   LYS  25          2HE       LYS  25  -1.692   6.805   4.015
  217   2HE   LYS  25          3HE       LYS  25  -2.856   5.503   4.257
  218   1HZ   LYS  25          1HZ       LYS  25  -3.740   7.865   3.991
  219   2HZ   LYS  25          2HZ       LYS  25  -3.202   8.124   5.574
  220   3HZ   LYS  25          3HZ       LYS  25  -4.365   6.937   5.260
  221    H    THR  26           HN       THR  26   3.067   6.372   5.429
  222    HA   THR  26           HA       THR  26   4.634   8.569   5.126
  223    HB   THR  26           HB       THR  26   6.594   6.959   4.920
  224    HG1  THR  26           1HG      THR  26   4.587   5.298   4.288
  225   1HG2  THR  26          1HG2      THR  26   5.489   7.821   7.064
  226   2HG2  THR  26          2HG2      THR  26   6.479   6.367   7.191
  227   3HG2  THR  26          3HG2      THR  26   4.721   6.236   7.158
  228    H    LEU  27           HN       LEU  27   3.897   6.202   2.603
  229    HA   LEU  27           HA       LEU  27   5.798   7.334   0.753
  230   1HB   LEU  27          2HB       LEU  27   3.621   5.284   0.465
  231   2HB   LEU  27          3HB       LEU  27   4.523   5.872  -0.909
  232    HG   LEU  27           HG       LEU  27   5.299   3.692  -0.008
  233   1HD1  LEU  27          1HD1      LEU  27   7.373   4.112  -0.722
  234   2HD1  LEU  27          2HD1      LEU  27   6.697   5.697  -1.105
  235   3HD1  LEU  27          3HD1      LEU  27   7.604   5.462   0.391
  236   1HD2  LEU  27          1HD2      LEU  27   4.948   4.208   2.377
  237   2HD2  LEU  27          2HD2      LEU  27   6.569   3.605   2.033
  238   3HD2  LEU  27          3HD2      LEU  27   6.309   5.328   2.309
  239    H    TYR  28           HN       TYR  28   2.283   7.408   1.192
  240    HA   TYR  28           HA       TYR  28   2.194   9.649  -0.725
  241   1HB   TYR  28          2HB       TYR  28  -0.132   7.802  -0.400
  242   2HB   TYR  28          3HB       TYR  28   0.365   8.737  -1.807
  243    HD1  TYR  28           1HD      TYR  28   0.489   5.569  -0.161
  244    HD2  TYR  28           2HD      TYR  28   2.427   7.916  -3.124
  245    HE1  TYR  28           1HE      TYR  28   1.516   3.542  -1.075
  246    HE2  TYR  28           2HE      TYR  28   3.456   5.888  -4.056
  247    HH   TYR  28           HH       TYR  28   2.533   2.702  -2.971
  248    HA   PRO  29           HA       PRO  29   0.246  11.389   2.982
  249   1HB   PRO  29          2HB       PRO  29   0.624  13.971   2.373
  250   2HB   PRO  29          3HB       PRO  29   1.959  12.949   2.919
  251   1HG   PRO  29          2HG       PRO  29   1.247  13.816   0.147
  252   2HG   PRO  29          3HG       PRO  29   2.843  13.693   0.908
  253   1HD   PRO  29          2HD       PRO  29   1.770  11.798  -0.784
  254   2HD   PRO  29          3HD       PRO  29   3.029  11.468   0.421
  255    H    ARG  30           HN       ARG  30  -1.614  10.341   1.506
  256    HA   ARG  30           HA       ARG  30  -3.317  12.492   0.453
  257   1HB   ARG  30          2HB       ARG  30  -3.127   9.552  -0.089
  258   2HB   ARG  30          3HB       ARG  30  -4.621  10.411  -0.432
  259   1HG   ARG  30          2HG       ARG  30  -3.540  10.510  -2.460
  260   2HG   ARG  30          3HG       ARG  30  -3.084  12.051  -1.731
  261   1HD   ARG  30          2HD       ARG  30  -1.040  10.705  -0.838
  262   2HD   ARG  30          3HD       ARG  30  -1.446   9.585  -2.138
  263    HE   ARG  30           HE       ARG  30  -0.527  11.066  -3.600
  264   1HH1  ARG  30          2HH1      ARG  30  -1.453  12.812  -0.730
  265   2HH1  ARG  30          1HH1      ARG  30  -0.783  14.314  -1.273
  266   1HH2  ARG  30          2HH2      ARG  30   0.357  13.038  -4.322
  267   2HH2  ARG  30          1HH2      ARG  30   0.248  14.442  -3.312
  268    H    GLY  31           HN       GLY  31  -5.694  12.067   0.694
  269   1HA   GLY  31          1HA       GLY  31  -6.259  11.359   3.490
  270   2HA   GLY  31          2HA       GLY  31  -7.242  12.423   2.490
  271    H    GLN  32           HN       GLN  32  -6.669  10.342   0.281
  272    HA   GLN  32           HA       GLN  32  -8.789   8.463   1.075
  273   1HB   GLN  32          2HB       GLN  32  -8.173   9.114  -1.790
  274   2HB   GLN  32          3HB       GLN  32  -9.662   8.485  -1.095
  275   1HG   GLN  32          2HG       GLN  32 -10.436  10.558  -1.239
  276   2HG   GLN  32          3HG       GLN  32  -9.391  10.929   0.131
  277   1HE2  GLN  32          1HE2      GLN  32 -10.312  12.523  -2.217
  278   2HE2  GLN  32          2HE2      GLN  32  -8.866  13.152  -2.920
  279    H    CYS  33           HN       CYS  33  -5.713   8.484   1.097
  280    HA   CYS  33           HA       CYS  33  -5.219   6.060  -0.487
  281   1HB   CYS  33          2HB       CYS  33  -3.592   7.911  -0.727
  282   2HB   CYS  33          3HB       CYS  33  -3.260   7.830   0.999
  283    H    THR  34           HN       THR  34  -4.755   4.126   0.462
  284    HA   THR  34           HA       THR  34  -3.991   3.842   3.171
  285    HB   THR  34           HB       THR  34  -6.383   4.603   3.375
  286    HG1  THR  34           1HG      THR  34  -6.835   2.907   4.955
  287   1HG2  THR  34          1HG2      THR  34  -7.156   3.188   1.409
  288   2HG2  THR  34          2HG2      THR  34  -8.174   3.145   2.848
  289   3HG2  THR  34          3HG2      THR  34  -7.084   1.803   2.499
  290    H    CYS  35           HN       CYS  35  -5.361   1.290   3.592
  291    HA   CYS  35           HA       CYS  35  -3.729  -0.293   1.758
  292   1HB   CYS  35          2HB       CYS  35  -3.259  -0.951   3.936
  293   2HB   CYS  35          3HB       CYS  35  -4.931  -0.781   4.459
  294    H    SER  36           HN       SER  36  -4.606  -1.155   0.050
  295    HA   SER  36           HA       SER  36  -7.444  -1.935   0.113
  296   1HB   SER  36          2HB       SER  36  -7.186  -1.731  -2.463
  297   2HB   SER  36          3HB       SER  36  -7.315  -0.250  -1.515
  298    HG   SER  36           HG       SER  36  -5.141   0.071  -1.722
  299    H    ASP  37           HN       ASP  37  -7.936  -4.002  -0.268
  300    HA   ASP  37           HA       ASP  37  -6.044  -5.751  -1.631
  301   1HB   ASP  37          2HB       ASP  37  -5.434  -5.883   0.761
  302   2HB   ASP  37          3HB       ASP  37  -7.087  -6.348   1.148
  303    H    SER  38           HN       SER  38  -6.994  -7.819  -2.229
  304    HA   SER  38           HA       SER  38  -9.912  -7.611  -2.530
  305   1HB   SER  38          2HB       SER  38  -7.751  -8.773  -4.249
  306   2HB   SER  38          3HB       SER  38  -9.383  -9.433  -4.359
  307    HG   SER  38           HG       SER  38  -9.184  -6.671  -4.412
  308    H    LYS  39           HN       LYS  39  -7.524 -10.258  -2.479
  309    HA   LYS  39           HA       LYS  39  -8.526 -11.492  -0.157
  310   1HB   LYS  39          2HB       LYS  39 -10.253 -11.867  -2.248
  311   2HB   LYS  39          3HB       LYS  39  -9.233 -13.294  -2.370
  312   1HG   LYS  39          2HG       LYS  39  -9.801 -14.000  -0.183
  313   2HG   LYS  39          3HG       LYS  39 -10.567 -12.454   0.188
  314   1HD   LYS  39          2HD       LYS  39 -12.420 -12.911  -1.138
  315   2HD   LYS  39          3HD       LYS  39 -11.567 -14.138  -2.076
  316   1HE   LYS  39          2HE       LYS  39 -11.432 -15.275   0.342
  317   2HE   LYS  39          3HE       LYS  39 -12.913 -14.343   0.553
  318   1HZ   LYS  39          1HZ       LYS  39 -13.589 -15.391  -1.667
  319   2HZ   LYS  39          2HZ       LYS  39 -13.646 -16.359  -0.280
  320   3HZ   LYS  39          3HZ       LYS  39 -12.358 -16.513  -1.366
  321    H    MET  40           HN       MET  40  -6.001 -10.905  -0.945
  322    HA   MET  40           HA       MET  40  -4.821 -13.571  -1.196
  323   1HB   MET  40          2HB       MET  40  -3.936 -11.188  -2.835
  324   2HB   MET  40          3HB       MET  40  -3.135 -12.753  -2.789
  325   1HG   MET  40          2HG       MET  40  -5.967 -12.910  -3.465
  326   2HG   MET  40          3HG       MET  40  -5.011 -11.971  -4.611
  327   1HE   MET  40          1HE       MET  40  -3.020 -12.967  -6.066
  328   2HE   MET  40          2HE       MET  40  -3.491 -14.503  -6.796
  329   3HE   MET  40          3HE       MET  40  -4.653 -13.180  -6.697
  330    H    ASN  41           HN       ASN  41  -2.503 -13.584  -0.590
  331    HA   ASN  41           HA       ASN  41  -2.100 -12.298   1.882
  332   1HB   ASN  41          2HB       ASN  41  -1.057 -14.460   1.232
  333   2HB   ASN  41          3HB       ASN  41  -0.021 -13.592   0.104
  334   1HD2  ASN  41          1HD2      ASN  41   1.948 -13.650   0.916
  335   2HD2  ASN  41          2HD2      ASN  41   2.386 -13.239   2.535
  336    H    THR  42           HN       THR  42  -1.506 -11.277  -1.348
  337    HA   THR  42           HA       THR  42   0.191  -9.087  -0.357
  338    HB   THR  42           HB       THR  42   0.284  -8.888  -3.103
  339    HG1  THR  42           1HG      THR  42   0.593 -11.645  -2.463
  340   1HG2  THR  42          1HG2      THR  42   2.406  -8.723  -2.444
  341   2HG2  THR  42          2HG2      THR  42   2.471 -10.484  -2.343
  342   3HG2  THR  42          3HG2      THR  42   2.040  -9.535  -0.922
  343    H    HIS  43           HN       HIS  43  -0.289  -7.021  -0.776
  344    HA   HIS  43           HA       HIS  43  -2.626  -6.245  -2.327
  345   1HB   HIS  43          2HB       HIS  43  -3.292  -4.813  -0.233
  346   2HB   HIS  43          3HB       HIS  43  -3.786  -6.502  -0.297
  347    HD1  HIS  43           1HD      HIS  43  -1.924  -8.147   0.893
  348    HD2  HIS  43           2HD      HIS  43  -2.036  -4.175   2.090
  349    HE1  HIS  43           1HE      HIS  43  -0.751  -8.067   3.090
  350    HE2  HIS  43           2HE      HIS  43  -0.932  -5.686   3.860
  351    H    SER  44           HN       SER  44  -2.786  -3.617  -1.692
  352    HA   SER  44           HA       SER  44  -0.167  -2.513  -1.301
  353   1HB   SER  44          2HB       SER  44  -0.075  -1.270  -3.438
  354   2HB   SER  44          3HB       SER  44   0.058  -3.020  -3.647
  355    HG   SER  44           HG       SER  44  -2.371  -2.827  -3.943
  356    H    CYS  45           HN       CYS  45  -0.867   0.049  -2.581
  357    HA   CYS  45           HA       CYS  45  -3.005   0.879  -0.735
  358   1HB   CYS  45          2HB       CYS  45  -0.576   2.505  -1.510
  359   2HB   CYS  45          3HB       CYS  45  -1.819   2.956  -0.344
  360    H    ASP  46           HN       ASP  46  -4.735   1.622  -1.744
  361    HA   ASP  46           HA       ASP  46  -4.472   2.615  -4.487
  362   1HB   ASP  46          2HB       ASP  46  -6.101   0.760  -3.858
  363   2HB   ASP  46          3HB       ASP  46  -7.035   2.005  -3.035
  364    H    CYS  47           HN       CYS  47  -3.534   4.620  -3.510
  365    HA   CYS  47           HA       CYS  47  -5.222   6.428  -2.089
  366   1HB   CYS  47          2HB       CYS  47  -3.017   7.454  -3.808
  367   2HB   CYS  47          3HB       CYS  47  -3.458   7.908  -2.167
  368    H    LYS  48           HN       LYS  48  -4.793   5.504  -5.331
  369    HA   LYS  48           HA       LYS  48  -6.717   7.551  -6.208
  370   1HB   LYS  48          2HB       LYS  48  -4.268   7.849  -7.001
  371   2HB   LYS  48          3HB       LYS  48  -4.586   6.460  -8.030
  372   1HG   LYS  48          2HG       LYS  48  -6.728   8.279  -8.361
  373   2HG   LYS  48          3HG       LYS  48  -5.221   9.189  -8.478
  374   1HD   LYS  48          2HD       LYS  48  -4.567   7.075  -9.983
  375   2HD   LYS  48          3HD       LYS  48  -6.313   7.075 -10.240
  376   1HE   LYS  48          2HE       LYS  48  -6.262   8.967 -11.458
  377   2HE   LYS  48          3HE       LYS  48  -5.031   9.709 -10.436
  378   1HZ   LYS  48          1HZ       LYS  48  -4.048   7.496 -11.984
  379   2HZ   LYS  48          2HZ       LYS  48  -3.416   9.055 -11.805
  380   3HZ   LYS  48          3HZ       LYS  48  -4.634   8.763 -12.941
  381    H    SER  49           HN       SER  49  -8.394   6.828  -7.349
  382    HA   SER  49           HA       SER  49  -9.132   4.154  -7.320
  383   1HB   SER  49          2HB       SER  49 -10.893   5.662  -7.585
  384   2HB   SER  49          3HB       SER  49 -10.076   6.538  -8.879
  385    HG   SER  49           HG       SER  49 -10.827   5.157 -10.294
  386    H    CYS  50           HN       CYS  50  -7.419   2.893  -8.111
  387    HA   CYS  50           HA       CYS  50  -7.165   2.902 -11.044
  388   1HB   CYS  50          2HB       CYS  50  -4.814   2.036 -10.671
  389   2HB   CYS  50          3HB       CYS  50  -5.078   3.723 -10.243
  Start of MODEL   18
    1   1H    ASN   1          1H        ASN   1  -1.123  17.128 -15.042
    2   2H    ASN   1          2H        ASN   1  -2.156  18.419 -15.401
    3   3H    ASN   1          3H        ASN   1  -2.757  16.838 -15.369
    4    HA   ASN   1           HA       ASN   1  -1.906  18.530 -13.106
    5   1HB   ASN   1          2HB       ASN   1  -4.345  16.883 -12.985
    6   2HB   ASN   1          3HB       ASN   1  -4.112  18.583 -12.585
    7   1HD2  ASN   1          1HD2      ASN   1  -5.018  16.310 -15.007
    8   2HD2  ASN   1          2HD2      ASN   1  -5.546  17.452 -16.191
    9    H    LEU   2           HN       LEU   2  -0.487  17.530 -11.826
   10    HA   LEU   2           HA       LEU   2  -0.646  14.623 -11.492
   11   1HB   LEU   2          2HB       LEU   2   1.502  16.496 -10.507
   12   2HB   LEU   2          3HB       LEU   2   1.576  14.746 -10.575
   13    HG   LEU   2           HG       LEU   2   1.054  15.847 -13.196
   14   1HD1  LEU   2          1HD1      LEU   2   2.798  17.264 -13.558
   15   2HD1  LEU   2          2HD1      LEU   2   2.450  17.667 -11.877
   16   3HD1  LEU   2          3HD1      LEU   2   3.776  16.572 -12.264
   17   1HD2  LEU   2          1HD2      LEU   2   3.073  14.053 -11.904
   18   2HD2  LEU   2          2HD2      LEU   2   1.841  13.666 -13.107
   19   3HD2  LEU   2          3HD2      LEU   2   3.272  14.583 -13.574
   20    H    MET   3           HN       MET   3  -1.077  13.658  -9.572
   21    HA   MET   3           HA       MET   3  -1.441  15.350  -7.203
   22   1HB   MET   3          2HB       MET   3  -3.550  14.236  -8.730
   23   2HB   MET   3          3HB       MET   3  -3.458  13.312  -7.238
   24   1HG   MET   3          2HG       MET   3  -3.571  15.426  -5.967
   25   2HG   MET   3          3HG       MET   3  -3.773  16.294  -7.488
   26   1HE   MET   3          1HE       MET   3  -5.385  16.827  -5.337
   27   2HE   MET   3          2HE       MET   3  -7.073  16.718  -5.838
   28   3HE   MET   3          3HE       MET   3  -6.421  15.558  -4.681
   29    H    LYS   4           HN       LYS   4  -2.342  11.971  -7.714
   30    HA   LYS   4           HA       LYS   4  -0.007  11.074  -6.210
   31   1HB   LYS   4          2HB       LYS   4  -1.998   9.556  -5.062
   32   2HB   LYS   4          3HB       LYS   4  -1.188  10.919  -4.306
   33   1HG   LYS   4          2HG       LYS   4  -3.386  11.474  -3.996
   34   2HG   LYS   4          3HG       LYS   4  -3.035  12.315  -5.508
   35   1HD   LYS   4          2HD       LYS   4  -3.813   9.897  -6.445
   36   2HD   LYS   4          3HD       LYS   4  -4.792  10.013  -4.980
   37   1HE   LYS   4          2HE       LYS   4  -4.709  12.449  -6.623
   38   2HE   LYS   4          3HE       LYS   4  -5.488  11.063  -7.384
   39   1HZ   LYS   4          1HZ       LYS   4  -6.206  12.333  -4.801
   40   2HZ   LYS   4          2HZ       LYS   4  -6.852  10.860  -5.327
   41   3HZ   LYS   4          3HZ       LYS   4  -7.139  12.273  -6.213
   42    H    ARG   5           HN       ARG   5   0.015   8.610  -6.100
   43    HA   ARG   5           HA       ARG   5  -1.357   7.368  -8.362
   44   1HB   ARG   5          2HB       ARG   5   0.925   6.248  -8.901
   45   2HB   ARG   5          3HB       ARG   5   0.604   7.870  -9.498
   46   1HG   ARG   5          2HG       ARG   5   1.827   8.737  -7.476
   47   2HG   ARG   5          3HG       ARG   5   2.313   7.071  -7.159
   48   1HD   ARG   5          2HD       ARG   5   2.861   7.554  -9.873
   49   2HD   ARG   5          3HD       ARG   5   3.429   8.974  -8.993
   50    HE   ARG   5           HE       ARG   5   4.421   6.929  -7.539
   51   1HH1  ARG   5          2HH1      ARG   5   4.525   7.689 -10.939
   52   2HH1  ARG   5          1HH1      ARG   5   6.060   6.930 -11.193
   53   1HH2  ARG   5          2HH2      ARG   5   6.442   5.927  -7.866
   54   2HH2  ARG   5          1HH2      ARG   5   7.149   5.926  -9.447
   55    H    CYS   6           HN       CYS   6  -2.488   5.875  -7.279
   56    HA   CYS   6           HA       CYS   6  -1.913   4.639  -4.892
   57   1HB   CYS   6          2HB       CYS   6  -3.314   2.682  -5.909
   58   2HB   CYS   6          3HB       CYS   6  -4.075   4.251  -5.660
   59    H    THR   7           HN       THR   7  -0.474   3.157  -4.210
   60    HA   THR   7           HA       THR   7   1.208   1.635  -4.208
   61    HB   THR   7           HB       THR   7   0.903  -0.297  -5.373
   62    HG1  THR   7           1HG      THR   7  -0.176   0.177  -7.693
   63   1HG2  THR   7          1HG2      THR   7  -1.636   1.258  -5.575
   64   2HG2  THR   7          2HG2      THR   7  -1.261  -0.162  -4.598
   65   3HG2  THR   7          3HG2      THR   7  -1.541  -0.332  -6.332
   66    H    ARG   8           HN       ARG   8   3.338   1.656  -4.719
   67    HA   ARG   8           HA       ARG   8   4.103   3.326  -6.995
   68   1HB   ARG   8          2HB       ARG   8   6.432   3.126  -5.867
   69   2HB   ARG   8          3HB       ARG   8   5.224   4.204  -5.181
   70   1HG   ARG   8          2HG       ARG   8   5.156   1.476  -4.137
   71   2HG   ARG   8          3HG       ARG   8   6.633   2.373  -3.787
   72   1HD   ARG   8          2HD       ARG   8   4.902   2.624  -2.070
   73   2HD   ARG   8          3HD       ARG   8   5.377   4.150  -2.790
   74    HE   ARG   8           HE       ARG   8   3.281   3.940  -4.124
   75   1HH1  ARG   8          2HH1      ARG   8   3.649   2.242  -1.113
   76   2HH1  ARG   8          1HH1      ARG   8   1.960   2.252  -0.745
   77   1HH2  ARG   8          2HH2      ARG   8   1.045   3.974  -3.649
   78   2HH2  ARG   8          1HH2      ARG   8   0.473   3.234  -2.192
   79    H    GLY   9           HN       GLY   9   3.142   0.669  -7.253
   80   1HA   GLY   9          1HA       GLY   9   4.238  -0.546  -9.238
   81   2HA   GLY   9          2HA       GLY   9   5.521  -0.849  -8.072
   82    H    PHE  10           HN       PHE  10   2.619  -0.716  -6.474
   83    HA   PHE  10           HA       PHE  10   1.329  -2.261  -5.413
   84   1HB   PHE  10          2HB       PHE  10   0.875  -2.633  -8.008
   85   2HB   PHE  10          3HB       PHE  10   1.637  -4.184  -7.676
   86    HD1  PHE  10           1HD      PHE  10  -1.402  -2.583  -7.929
   87    HD2  PHE  10           2HD      PHE  10   0.679  -5.313  -5.414
   88    HE1  PHE  10           1HE      PHE  10  -3.551  -3.457  -7.106
   89    HE2  PHE  10           2HE      PHE  10  -1.465  -6.191  -4.585
   90    HZ   PHE  10           HZ       PHE  10  -3.584  -5.265  -5.432
   91    H    ARG  11           HN       ARG  11   2.954  -2.704  -3.795
   92    HA   ARG  11           HA       ARG  11   3.798  -5.454  -3.893
   93   1HB   ARG  11          2HB       ARG  11   6.190  -4.887  -3.359
   94   2HB   ARG  11          3HB       ARG  11   5.685  -4.542  -5.004
   95   1HG   ARG  11          2HG       ARG  11   6.442  -2.482  -4.754
   96   2HG   ARG  11          3HG       ARG  11   5.190  -2.203  -3.539
   97   1HD   ARG  11          2HD       ARG  11   6.689  -2.186  -1.894
   98   2HD   ARG  11          3HD       ARG  11   7.387  -3.711  -2.443
   99    HE   ARG  11           HE       ARG  11   8.916  -2.496  -3.776
  100   1HH1  ARG  11          2HH1      ARG  11   6.874  -0.458  -1.819
  101   2HH1  ARG  11          1HH1      ARG  11   7.897   0.931  -1.973
  102   1HH2  ARG  11          2HH2      ARG  11  10.268  -0.673  -3.980
  103   2HH2  ARG  11          1HH2      ARG  11   9.828   0.809  -3.197
  104    H    LYS  12           HN       LYS  12   2.002  -4.704  -2.165
  105    HA   LYS  12           HA       LYS  12   3.433  -4.356   0.392
  106   1HB   LYS  12          2HB       LYS  12   0.530  -3.762  -0.255
  107   2HB   LYS  12          3HB       LYS  12   1.247  -3.628   1.337
  108   1HG   LYS  12          2HG       LYS  12   0.956  -1.454   0.163
  109   2HG   LYS  12          3HG       LYS  12   2.616  -1.789   0.649
  110   1HD   LYS  12          2HD       LYS  12   3.326  -2.073  -1.524
  111   2HD   LYS  12          3HD       LYS  12   1.723  -2.535  -2.099
  112   1HE   LYS  12          2HE       LYS  12   1.078  -0.393  -2.427
  113   2HE   LYS  12          3HE       LYS  12   1.982   0.205  -1.037
  114   1HZ   LYS  12          1HZ       LYS  12   2.737   0.832  -3.409
  115   2HZ   LYS  12          2HZ       LYS  12   3.420  -0.714  -3.436
  116   3HZ   LYS  12          3HZ       LYS  12   3.906   0.402  -2.262
  117    H    LEU  13           HN       LEU  13   2.537  -5.742   2.204
  118    HA   LEU  13           HA       LEU  13   0.996  -8.049   1.298
  119   1HB   LEU  13          2HB       LEU  13   2.798  -9.569   2.322
  120   2HB   LEU  13          3HB       LEU  13   3.048  -8.926   0.710
  121    HG   LEU  13           HG       LEU  13   4.232  -7.023   2.329
  122   1HD1  LEU  13          1HD1      LEU  13   4.154  -9.557   3.738
  123   2HD1  LEU  13          2HD1      LEU  13   5.803  -9.004   3.447
  124   3HD1  LEU  13          3HD1      LEU  13   4.661  -7.964   4.300
  125   1HD2  LEU  13          1HD2      LEU  13   5.771  -9.336   1.212
  126   2HD2  LEU  13          2HD2      LEU  13   4.936  -8.209   0.142
  127   3HD2  LEU  13          3HD2      LEU  13   6.188  -7.623   1.236
  128    H    GLY  14           HN       GLY  14   0.439  -9.576   2.991
  129   1HA   GLY  14          1HA       GLY  14   0.132 -10.204   5.243
  130   2HA   GLY  14          2HA       GLY  14   0.716  -8.627   5.742
  131    H    LYS  15           HN       LYS  15  -1.986  -9.879   3.744
  132    HA   LYS  15           HA       LYS  15  -4.026  -8.685   3.449
  133   1HB   LYS  15          2HB       LYS  15  -4.194 -10.181   6.067
  134   2HB   LYS  15          3HB       LYS  15  -5.538  -9.769   5.015
  135   1HG   LYS  15          2HG       LYS  15  -4.506 -11.148   3.233
  136   2HG   LYS  15          3HG       LYS  15  -3.283 -11.653   4.400
  137   1HD   LYS  15          2HD       LYS  15  -5.132 -12.492   5.859
  138   2HD   LYS  15          3HD       LYS  15  -6.257 -12.140   4.544
  139   1HE   LYS  15          2HE       LYS  15  -4.261 -13.602   3.319
  140   2HE   LYS  15          3HE       LYS  15  -4.429 -14.377   4.893
  141   1HZ   LYS  15          1HZ       LYS  15  -6.385 -14.145   2.717
  142   2HZ   LYS  15          2HZ       LYS  15  -6.951 -14.232   4.309
  143   3HZ   LYS  15          3HZ       LYS  15  -5.999 -15.482   3.681
  144    H    CYS  16           HN       CYS  16  -3.685  -6.469   3.645
  145    HA   CYS  16           HA       CYS  16  -3.801  -4.383   4.552
  146   1HB   CYS  16          2HB       CYS  16  -6.166  -5.442   5.005
  147   2HB   CYS  16          3HB       CYS  16  -5.643  -5.398   6.686
  148    H    THR  17           HN       THR  17  -1.564  -5.314   5.241
  149    HA   THR  17           HA       THR  17  -1.147  -5.667   8.056
  150    HB   THR  17           HB       THR  17   0.376  -5.950   5.603
  151    HG1  THR  17           1HG      THR  17   1.575  -7.330   7.287
  152   1HG2  THR  17          1HG2      THR  17   1.710  -4.090   6.274
  153   2HG2  THR  17          2HG2      THR  17   2.614  -5.545   6.695
  154   3HG2  THR  17          3HG2      THR  17   1.760  -4.645   7.948
  155    H    THR  18           HN       THR  18   0.196  -4.307   9.380
  156    HA   THR  18           HA       THR  18  -0.506  -1.603   9.361
  157    HB   THR  18           HB       THR  18   1.623  -3.165  10.786
  158    HG1  THR  18           1HG      THR  18  -0.850  -2.573  11.292
  159   1HG2  THR  18          1HG2      THR  18   2.358  -0.743  10.063
  160   2HG2  THR  18          2HG2      THR  18   2.668  -1.327  11.700
  161   3HG2  THR  18          3HG2      THR  18   1.299  -0.260  11.389
  162    H    LEU  19           HN       LEU  19   2.632  -3.098   8.589
  163    HA   LEU  19           HA       LEU  19   3.977  -0.861   7.699
  164   1HB   LEU  19          2HB       LEU  19   4.457  -3.594   7.772
  165   2HB   LEU  19          3HB       LEU  19   4.541  -3.205   6.065
  166    HG   LEU  19           HG       LEU  19   6.731  -3.148   7.321
  167   1HD1  LEU  19          1HD1      LEU  19   7.267  -2.006   5.498
  168   2HD1  LEU  19          2HD1      LEU  19   5.654  -1.300   5.399
  169   3HD1  LEU  19          3HD1      LEU  19   6.896  -0.525   6.382
  170   1HD2  LEU  19          1HD2      LEU  19   5.255  -1.522   9.063
  171   2HD2  LEU  19          2HD2      LEU  19   6.977  -1.899   9.140
  172   3HD2  LEU  19          3HD2      LEU  19   6.426  -0.461   8.279
  173    H    GLU  20           HN       GLU  20   1.373  -2.546   6.226
  174    HA   GLU  20           HA       GLU  20   1.876  -1.600   3.571
  175   1HB   GLU  20          2HB       GLU  20   0.506  -3.316   3.149
  176   2HB   GLU  20          3HB       GLU  20   0.042  -3.423   4.839
  177   1HG   GLU  20          2HG       GLU  20  -1.958  -3.114   3.685
  178   2HG   GLU  20          3HG       GLU  20  -1.580  -1.526   4.349
  179    H    GLU  21           HN       GLU  21  -0.532  -0.800   6.086
  180    HA   GLU  21           HA       GLU  21  -1.660   1.382   4.686
  181   1HB   GLU  21          2HB       GLU  21  -2.780   1.933   6.713
  182   2HB   GLU  21          3HB       GLU  21  -2.690   0.180   6.653
  183   1HG   GLU  21          2HG       GLU  21  -0.507   0.578   8.057
  184   2HG   GLU  21          3HG       GLU  21  -1.310   2.095   8.451
  185    H    GLU  22           HN       GLU  22   1.126   0.994   6.720
  186    HA   GLU  22           HA       GLU  22   1.629   3.789   7.103
  187   1HB   GLU  22          2HB       GLU  22   2.840   1.237   7.903
  188   2HB   GLU  22          3HB       GLU  22   4.009   2.508   7.586
  189   1HG   GLU  22          2HG       GLU  22   1.853   3.539   9.162
  190   2HG   GLU  22          3HG       GLU  22   2.512   2.085   9.908
  191    H    LYS  23           HN       LYS  23   2.619   1.271   4.862
  192    HA   LYS  23           HA       LYS  23   4.787   2.471   3.626
  193   1HB   LYS  23          2HB       LYS  23   4.215   0.236   3.004
  194   2HB   LYS  23          3HB       LYS  23   2.587   0.705   2.535
  195   1HG   LYS  23          2HG       LYS  23   3.311   0.864   0.437
  196   2HG   LYS  23          3HG       LYS  23   4.336   2.214   0.945
  197   1HD   LYS  23          2HD       LYS  23   5.716   0.571  -0.107
  198   2HD   LYS  23          3HD       LYS  23   6.068   0.558   1.617
  199   1HE   LYS  23          2HE       LYS  23   4.175  -1.312   1.574
  200   2HE   LYS  23          3HE       LYS  23   4.753  -1.487  -0.083
  201   1HZ   LYS  23          1HZ       LYS  23   5.957  -2.356   2.339
  202   2HZ   LYS  23          2HZ       LYS  23   7.014  -1.354   1.480
  203   3HZ   LYS  23          3HZ       LYS  23   6.373  -2.733   0.742
  204    H    CYS  24           HN       CYS  24   1.432   2.528   2.494
  205    HA   CYS  24           HA       CYS  24   1.647   4.497   0.571
  206   1HB   CYS  24          2HB       CYS  24  -0.803   4.466   2.256
  207   2HB   CYS  24          3HB       CYS  24  -0.642   4.466   0.505
  208    H    LYS  25           HN       LYS  25   0.656   4.912   3.953
  209    HA   LYS  25           HA       LYS  25   0.268   7.631   3.980
  210   1HB   LYS  25          2HB       LYS  25   0.620   5.552   5.925
  211   2HB   LYS  25          3HB       LYS  25   1.447   7.009   6.459
  212   1HG   LYS  25          2HG       LYS  25  -0.833   6.925   7.301
  213   2HG   LYS  25          3HG       LYS  25  -0.608   8.288   6.202
  214   1HD   LYS  25          2HD       LYS  25  -1.527   5.788   4.945
  215   2HD   LYS  25          3HD       LYS  25  -2.671   6.541   6.057
  216   1HE   LYS  25          2HE       LYS  25  -1.461   7.676   3.551
  217   2HE   LYS  25          3HE       LYS  25  -3.166   7.464   3.952
  218   1HZ   LYS  25          1HZ       LYS  25  -1.438   9.663   4.513
  219   2HZ   LYS  25          2HZ       LYS  25  -2.191   9.097   5.919
  220   3HZ   LYS  25          3HZ       LYS  25  -3.125   9.575   4.594
  221    H    THR  26           HN       THR  26   3.362   5.932   4.397
  222    HA   THR  26           HA       THR  26   4.827   8.242   5.103
  223    HB   THR  26           HB       THR  26   6.809   6.771   4.151
  224    HG1  THR  26           1HG      THR  26   5.953   5.024   3.281
  225   1HG2  THR  26          1HG2      THR  26   7.194   6.516   6.329
  226   2HG2  THR  26          2HG2      THR  26   5.846   5.389   6.485
  227   3HG2  THR  26          3HG2      THR  26   5.567   7.124   6.637
  228    H    LEU  27           HN       LEU  27   4.239   6.728   1.924
  229    HA   LEU  27           HA       LEU  27   5.993   8.621   0.635
  230   1HB   LEU  27          2HB       LEU  27   4.125   7.086  -1.017
  231   2HB   LEU  27          3HB       LEU  27   5.842   7.378  -1.221
  232    HG   LEU  27           HG       LEU  27   5.554   5.737   1.059
  233   1HD1  LEU  27          1HD1      LEU  27   4.392   3.827   0.096
  234   2HD1  LEU  27          2HD1      LEU  27   3.336   5.230   0.273
  235   3HD1  LEU  27          3HD1      LEU  27   3.972   4.802  -1.312
  236   1HD2  LEU  27          1HD2      LEU  27   6.486   5.164  -1.747
  237   2HD2  LEU  27          2HD2      LEU  27   7.467   5.771  -0.412
  238   3HD2  LEU  27          3HD2      LEU  27   6.789   4.140  -0.342
  239    H    TYR  28           HN       TYR  28   2.506   7.996   0.655
  240    HA   TYR  28           HA       TYR  28   2.072  10.732  -0.343
  241   1HB   TYR  28          2HB       TYR  28   0.087   8.535  -0.808
  242   2HB   TYR  28          3HB       TYR  28   0.356  10.007  -1.736
  243    HD1  TYR  28           1HD      TYR  28   1.385   6.538  -1.227
  244    HD2  TYR  28           2HD      TYR  28   2.189  10.133  -3.362
  245    HE1  TYR  28           1HE      TYR  28   2.772   5.274  -2.816
  246    HE2  TYR  28           2HE      TYR  28   3.575   8.877  -4.960
  247    HH   TYR  28           HH       TYR  28   3.594   5.474  -5.104
  248    HA   PRO  29           HA       PRO  29  -0.149  10.834   3.597
  249   1HB   PRO  29          2HB       PRO  29  -0.189  13.492   3.890
  250   2HB   PRO  29          3HB       PRO  29   1.300  12.569   4.122
  251   1HG   PRO  29          2HG       PRO  29   0.418  14.177   1.760
  252   2HG   PRO  29          3HG       PRO  29   2.021  14.076   2.509
  253   1HD   PRO  29          2HD       PRO  29   1.262  12.691   0.247
  254   2HD   PRO  29          3HD       PRO  29   2.572  12.194   1.335
  255    H    ARG  30           HN       ARG  30  -1.583  10.345   1.214
  256    HA   ARG  30           HA       ARG  30  -3.601  12.335   0.813
  257   1HB   ARG  30          2HB       ARG  30  -3.706   9.431   0.000
  258   2HB   ARG  30          3HB       ARG  30  -4.589  10.777  -0.713
  259   1HG   ARG  30          2HG       ARG  30  -1.602  10.395  -0.818
  260   2HG   ARG  30          3HG       ARG  30  -2.734  10.058  -2.129
  261   1HD   ARG  30          2HD       ARG  30  -3.030  12.254  -2.621
  262   2HD   ARG  30          3HD       ARG  30  -2.848  12.765  -0.944
  263    HE   ARG  30           HE       ARG  30  -0.384  11.830  -2.009
  264   1HH1  ARG  30          2HH1      ARG  30  -2.556  14.556  -2.021
  265   2HH1  ARG  30          1HH1      ARG  30  -1.313  15.709  -2.377
  266   1HH2  ARG  30          2HH2      ARG  30   1.259  13.342  -2.479
  267   2HH2  ARG  30          1HH2      ARG  30   0.853  15.018  -2.641
  268    H    GLY  31           HN       GLY  31  -5.956  11.211   0.704
  269   1HA   GLY  31          1HA       GLY  31  -6.520  10.417   3.486
  270   2HA   GLY  31          2HA       GLY  31  -7.648  11.257   2.428
  271    H    GLN  32           HN       GLN  32  -6.477   9.318   0.290
  272    HA   GLN  32           HA       GLN  32  -8.152   7.010   1.014
  273   1HB   GLN  32          2HB       GLN  32  -7.754   7.908  -1.826
  274   2HB   GLN  32          3HB       GLN  32  -9.008   6.864  -1.170
  275   1HG   GLN  32          2HG       GLN  32  -9.500   9.148   0.186
  276   2HG   GLN  32          3HG       GLN  32  -8.873   9.790  -1.333
  277   1HE2  GLN  32          1HE2      GLN  32  -9.859   8.841  -3.321
  278   2HE2  GLN  32          2HE2      GLN  32 -11.559   8.534  -3.296
  279    H    CYS  33           HN       CYS  33  -5.163   7.813   0.932
  280    HA   CYS  33           HA       CYS  33  -4.140   5.584  -0.680
  281   1HB   CYS  33          2HB       CYS  33  -3.142   7.908  -0.879
  282   2HB   CYS  33          3HB       CYS  33  -2.542   7.708   0.762
  283    H    THR  34           HN       THR  34  -5.212   4.208   1.026
  284    HA   THR  34           HA       THR  34  -3.370   3.833   3.288
  285    HB   THR  34           HB       THR  34  -5.528   4.728   4.018
  286    HG1  THR  34           1HG      THR  34  -4.835   3.502   5.632
  287   1HG2  THR  34          1HG2      THR  34  -7.146   2.376   3.655
  288   2HG2  THR  34          2HG2      THR  34  -6.593   2.983   2.094
  289   3HG2  THR  34          3HG2      THR  34  -7.478   4.044   3.191
  290    H    CYS  35           HN       CYS  35  -5.404   1.398   3.742
  291    HA   CYS  35           HA       CYS  35  -3.735  -0.441   2.200
  292   1HB   CYS  35          2HB       CYS  35  -3.723  -1.539   4.153
  293   2HB   CYS  35          3HB       CYS  35  -5.002  -0.517   4.803
  294    H    SER  36           HN       SER  36  -4.485  -1.806   0.693
  295    HA   SER  36           HA       SER  36  -7.350  -2.107   0.262
  296   1HB   SER  36          2HB       SER  36  -5.628  -0.447  -1.394
  297   2HB   SER  36          3HB       SER  36  -6.376  -1.742  -2.328
  298    HG   SER  36           HG       SER  36  -7.481   0.514  -1.531
  299    H    ASP  37           HN       ASP  37  -7.598  -4.236   0.265
  300    HA   ASP  37           HA       ASP  37  -5.672  -5.878  -1.242
  301   1HB   ASP  37          2HB       ASP  37  -5.354  -6.272   1.134
  302   2HB   ASP  37          3HB       ASP  37  -7.079  -6.557   1.348
  303    H    SER  38           HN       SER  38  -6.526  -7.826  -2.181
  304    HA   SER  38           HA       SER  38  -9.333  -7.509  -2.961
  305   1HB   SER  38          2HB       SER  38  -7.012  -8.967  -4.228
  306   2HB   SER  38          3HB       SER  38  -8.676  -9.188  -4.770
  307    HG   SER  38           HG       SER  38  -8.413  -7.438  -5.877
  308    H    LYS  39           HN       LYS  39  -7.248 -10.379  -2.720
  309    HA   LYS  39           HA       LYS  39  -8.709 -11.562  -0.589
  310   1HB   LYS  39          2HB       LYS  39  -9.582 -13.495  -2.020
  311   2HB   LYS  39          3HB       LYS  39 -10.471 -11.979  -2.093
  312   1HG   LYS  39          2HG       LYS  39  -9.389 -11.421  -4.196
  313   2HG   LYS  39          3HG       LYS  39  -8.446 -12.912  -4.118
  314   1HD   LYS  39          2HD       LYS  39 -10.112 -14.066  -5.036
  315   2HD   LYS  39          3HD       LYS  39 -11.236 -13.502  -3.797
  316   1HE   LYS  39          2HE       LYS  39 -11.095 -11.288  -5.290
  317   2HE   LYS  39          3HE       LYS  39 -10.754 -12.487  -6.536
  318   1HZ   LYS  39          1HZ       LYS  39 -13.119 -12.527  -4.740
  319   2HZ   LYS  39          2HZ       LYS  39 -12.805 -13.608  -6.003
  320   3HZ   LYS  39          3HZ       LYS  39 -13.127 -11.982  -6.342
  321    H    MET  40           HN       MET  40  -5.993 -11.090  -1.185
  322    HA   MET  40           HA       MET  40  -4.999 -13.844  -1.104
  323   1HB   MET  40          2HB       MET  40  -4.387 -11.830  -3.142
  324   2HB   MET  40          3HB       MET  40  -2.957 -12.526  -2.394
  325   1HG   MET  40          2HG       MET  40  -3.162 -14.153  -3.889
  326   2HG   MET  40          3HG       MET  40  -4.493 -14.734  -2.892
  327   1HE   MET  40          1HE       MET  40  -4.795 -14.136  -7.143
  328   2HE   MET  40          2HE       MET  40  -3.338 -14.163  -6.149
  329   3HE   MET  40          3HE       MET  40  -4.466 -15.518  -6.099
  330    H    ASN  41           HN       ASN  41  -2.382 -13.490  -0.735
  331    HA   ASN  41           HA       ASN  41  -2.272 -12.285   1.889
  332   1HB   ASN  41          2HB       ASN  41  -1.180 -14.509   1.144
  333   2HB   ASN  41          3HB       ASN  41   0.073 -13.493   0.437
  334   1HD2  ASN  41          1HD2      ASN  41   1.439 -12.328   1.777
  335   2HD2  ASN  41          2HD2      ASN  41   1.571 -12.653   3.469
  336    H    THR  42           HN       THR  42  -1.528 -11.351  -1.313
  337    HA   THR  42           HA       THR  42   0.142  -9.148  -0.299
  338    HB   THR  42           HB       THR  42   0.482  -9.007  -2.994
  339    HG1  THR  42           1HG      THR  42  -0.125 -10.880  -3.788
  340   1HG2  THR  42          1HG2      THR  42   2.455  -8.867  -1.897
  341   2HG2  THR  42          2HG2      THR  42   2.575 -10.573  -2.323
  342   3HG2  THR  42          3HG2      THR  42   2.010 -10.104  -0.720
  343    H    HIS  43           HN       HIS  43  -0.346  -7.108  -0.739
  344    HA   HIS  43           HA       HIS  43  -2.508  -6.370  -2.537
  345   1HB   HIS  43          2HB       HIS  43  -3.495  -4.967  -0.595
  346   2HB   HIS  43          3HB       HIS  43  -3.857  -6.690  -0.614
  347    HD1  HIS  43           1HD      HIS  43  -2.083  -8.134   0.896
  348    HD2  HIS  43           2HD      HIS  43  -2.517  -4.104   1.788
  349    HE1  HIS  43           1HE      HIS  43  -1.169  -7.844   3.199
  350    HE2  HIS  43           2HE      HIS  43  -1.376  -5.394   3.703
  351    H    SER  44           HN       SER  44  -2.792  -3.748  -1.913
  352    HA   SER  44           HA       SER  44  -0.246  -2.578  -1.277
  353   1HB   SER  44          2HB       SER  44   0.021  -1.340  -3.397
  354   2HB   SER  44          3HB       SER  44   0.186  -3.088  -3.604
  355    HG   SER  44           HG       SER  44  -2.314  -2.723  -3.993
  356    H    CYS  45           HN       CYS  45  -1.072  -0.093  -2.815
  357    HA   CYS  45           HA       CYS  45  -3.079   0.786  -0.853
  358   1HB   CYS  45          2HB       CYS  45  -1.237   2.610  -2.394
  359   2HB   CYS  45          3HB       CYS  45  -2.119   2.941  -0.901
  360    H    ASP  46           HN       ASP  46  -4.217   2.894  -1.720
  361    HA   ASP  46           HA       ASP  46  -4.927   2.713  -4.531
  362   1HB   ASP  46          2HB       ASP  46  -6.414   1.143  -3.062
  363   2HB   ASP  46          3HB       ASP  46  -7.187   2.643  -2.557
  364    H    CYS  47           HN       CYS  47  -3.544   4.710  -3.372
  365    HA   CYS  47           HA       CYS  47  -4.991   6.843  -2.283
  366   1HB   CYS  47          2HB       CYS  47  -2.833   7.600  -4.128
  367   2HB   CYS  47          3HB       CYS  47  -3.036   7.979  -2.421
  368    H    LYS  48           HN       LYS  48  -4.769   5.609  -5.481
  369    HA   LYS  48           HA       LYS  48  -6.481   7.807  -6.439
  370   1HB   LYS  48          2HB       LYS  48  -3.907   7.300  -7.323
  371   2HB   LYS  48          3HB       LYS  48  -4.910   6.504  -8.527
  372   1HG   LYS  48          2HG       LYS  48  -6.020   9.065  -7.992
  373   2HG   LYS  48          3HG       LYS  48  -4.289   9.251  -8.284
  374   1HD   LYS  48          2HD       LYS  48  -4.454   8.626 -10.453
  375   2HD   LYS  48          3HD       LYS  48  -5.725   7.447 -10.126
  376   1HE   LYS  48          2HE       LYS  48  -7.109   8.914 -11.088
  377   2HE   LYS  48          3HE       LYS  48  -6.966   9.836  -9.593
  378   1HZ   LYS  48          1HZ       LYS  48  -5.761  10.331 -12.206
  379   2HZ   LYS  48          2HZ       LYS  48  -4.843  10.738 -10.847
  380   3HZ   LYS  48          3HZ       LYS  48  -6.371  11.427 -11.072
  381    H    SER  49           HN       SER  49  -8.183   7.263  -7.687
  382    HA   SER  49           HA       SER  49  -9.376   4.777  -7.385
  383   1HB   SER  49          2HB       SER  49 -10.084   7.235  -8.495
  384   2HB   SER  49          3HB       SER  49 -10.240   6.090  -9.828
  385    HG   SER  49           HG       SER  49 -12.153   5.954  -8.815
  386    H    CYS  50           HN       CYS  50  -8.008   3.093  -7.930
  387    HA   CYS  50           HA       CYS  50  -7.753   2.602 -10.805
  388   1HB   CYS  50          2HB       CYS  50  -5.449   1.743 -10.484
  389   2HB   CYS  50          3HB       CYS  50  -5.581   3.466 -10.146
  Start of MODEL   19
    1   1H    ASN   1          1H        ASN   1  -2.082  16.939  -7.650
    2   2H    ASN   1          2H        ASN   1  -1.182  18.231  -7.032
    3   3H    ASN   1          3H        ASN   1  -1.865  18.339  -8.575
    4    HA   ASN   1           HA       ASN   1  -3.010  18.941  -6.042
    5   1HB   ASN   1          2HB       ASN   1  -4.066  19.298  -8.856
    6   2HB   ASN   1          3HB       ASN   1  -4.528  20.221  -7.429
    7   1HD2  ASN   1          1HD2      ASN   1  -3.074  21.723  -6.566
    8   2HD2  ASN   1          2HD2      ASN   1  -1.763  22.352  -7.499
    9    H    LEU   2           HN       LEU   2  -4.000  17.343  -4.929
   10    HA   LEU   2           HA       LEU   2  -5.473  15.697  -4.379
   11   1HB   LEU   2          2HB       LEU   2  -6.869  17.448  -6.269
   12   2HB   LEU   2          3HB       LEU   2  -7.548  15.835  -6.174
   13    HG   LEU   2           HG       LEU   2  -7.580  16.200  -3.627
   14   1HD1  LEU   2          1HD1      LEU   2  -7.186  18.231  -2.738
   15   2HD1  LEU   2          2HD1      LEU   2  -6.188  18.440  -4.178
   16   3HD1  LEU   2          3HD1      LEU   2  -7.827  19.087  -4.139
   17   1HD2  LEU   2          1HD2      LEU   2  -9.762  16.472  -3.950
   18   2HD2  LEU   2          2HD2      LEU   2  -9.524  18.103  -4.580
   19   3HD2  LEU   2          3HD2      LEU   2  -9.415  16.714  -5.662
   20    H    MET   3           HN       MET   3  -3.382  14.805  -5.925
   21    HA   MET   3           HA       MET   3  -4.564  12.468  -7.145
   22   1HB   MET   3          2HB       MET   3  -3.200  12.778  -9.257
   23   2HB   MET   3          3HB       MET   3  -4.600  13.829  -9.086
   24   1HG   MET   3          2HG       MET   3  -3.245  15.689  -8.519
   25   2HG   MET   3          3HG       MET   3  -1.815  14.674  -8.341
   26   1HE   MET   3          1HE       MET   3  -4.105  16.653 -10.866
   27   2HE   MET   3          2HE       MET   3  -3.847  15.723 -12.342
   28   3HE   MET   3          3HE       MET   3  -4.670  14.985 -10.969
   29    H    LYS   4           HN       LYS   4  -3.352  10.730  -6.722
   30    HA   LYS   4           HA       LYS   4  -0.474  10.949  -6.482
   31   1HB   LYS   4          2HB       LYS   4  -1.556  11.409  -4.208
   32   2HB   LYS   4          3HB       LYS   4  -2.061   9.726  -4.227
   33   1HG   LYS   4          2HG       LYS   4   0.811  10.529  -4.557
   34   2HG   LYS   4          3HG       LYS   4   0.070  10.290  -2.971
   35   1HD   LYS   4          2HD       LYS   4   0.043   8.054  -3.189
   36   2HD   LYS   4          3HD       LYS   4  -0.456   8.141  -4.883
   37   1HE   LYS   4          2HE       LYS   4   1.892   7.183  -4.256
   38   2HE   LYS   4          3HE       LYS   4   1.714   8.242  -5.654
   39   1HZ   LYS   4          1HZ       LYS   4   2.792   9.942  -4.621
   40   2HZ   LYS   4          2HZ       LYS   4   3.569   8.645  -3.866
   41   3HZ   LYS   4          3HZ       LYS   4   2.327   9.466  -3.066
   42    H    ARG   5           HN       ARG   5   0.363   9.289  -7.557
   43    HA   ARG   5           HA       ARG   5  -1.157   7.229  -8.672
   44   1HB   ARG   5          2HB       ARG   5   1.118   6.156  -9.095
   45   2HB   ARG   5          3HB       ARG   5   0.856   7.763  -9.761
   46   1HG   ARG   5          2HG       ARG   5   1.930   8.397  -7.367
   47   2HG   ARG   5          3HG       ARG   5   2.726   6.854  -7.684
   48   1HD   ARG   5          2HD       ARG   5   3.517   7.666  -9.825
   49   2HD   ARG   5          3HD       ARG   5   2.646   9.183  -9.598
   50    HE   ARG   5           HE       ARG   5   4.410   8.787  -7.443
   51   1HH1  ARG   5          2HH1      ARG   5   4.439   9.544 -10.847
   52   2HH1  ARG   5          1HH1      ARG   5   5.925  10.431 -10.767
   53   1HH2  ARG   5          2HH2      ARG   5   6.365   9.952  -7.331
   54   2HH2  ARG   5          1HH2      ARG   5   7.022  10.661  -8.770
   55    H    CYS   6           HN       CYS   6  -2.287   5.893  -7.397
   56    HA   CYS   6           HA       CYS   6  -1.721   4.965  -4.872
   57   1HB   CYS   6          2HB       CYS   6  -3.077   2.865  -5.751
   58   2HB   CYS   6          3HB       CYS   6  -3.859   4.428  -5.540
   59    H    THR   7           HN       THR   7  -0.570   3.291  -3.977
   60    HA   THR   7           HA       THR   7   1.040   1.714  -3.745
   61    HB   THR   7           HB       THR   7   0.829  -0.199  -4.961
   62    HG1  THR   7           1HG      THR   7   0.075   0.490  -7.420
   63   1HG2  THR   7          1HG2      THR   7  -1.465  -0.020  -6.324
   64   2HG2  THR   7          2HG2      THR   7  -1.586   1.468  -5.386
   65   3HG2  THR   7          3HG2      THR   7  -1.408  -0.082  -4.562
   66    H    ARG   8           HN       ARG   8   3.179   1.145  -4.276
   67    HA   ARG   8           HA       ARG   8   4.506   3.068  -6.052
   68   1HB   ARG   8          2HB       ARG   8   5.092   2.311  -3.468
   69   2HB   ARG   8          3HB       ARG   8   6.188   1.304  -4.406
   70   1HG   ARG   8          2HG       ARG   8   7.568   3.017  -4.581
   71   2HG   ARG   8          3HG       ARG   8   6.337   3.897  -5.487
   72   1HD   ARG   8          2HD       ARG   8   5.359   4.474  -3.180
   73   2HD   ARG   8          3HD       ARG   8   6.922   3.966  -2.546
   74    HE   ARG   8           HE       ARG   8   6.337   6.381  -4.003
   75   1HH1  ARG   8          2HH1      ARG   8   8.818   4.120  -3.064
   76   2HH1  ARG   8          1HH1      ARG   8  10.109   5.258  -3.259
   77   1HH2  ARG   8          2HH2      ARG   8   8.032   7.884  -4.266
   78   2HH2  ARG   8          1HH2      ARG   8   9.663   7.397  -3.944
   79    H    GLY   9           HN       GLY   9   3.037   0.868  -7.051
   80   1HA   GLY   9          1HA       GLY   9   3.762  -0.242  -9.122
   81   2HA   GLY   9          2HA       GLY   9   5.197  -0.757  -8.240
   82    H    PHE  10           HN       PHE  10   2.371  -0.734  -6.385
   83    HA   PHE  10           HA       PHE  10   1.091  -2.352  -5.436
   84   1HB   PHE  10          2HB       PHE  10   0.718  -2.662  -8.078
   85   2HB   PHE  10          3HB       PHE  10   1.441  -4.226  -7.718
   86    HD1  PHE  10           1HD      PHE  10   0.393  -5.286  -5.435
   87    HD2  PHE  10           2HD      PHE  10  -1.559  -2.613  -8.111
   88    HE1  PHE  10           1HE      PHE  10  -1.792  -6.115  -4.665
   89    HE2  PHE  10           2HE      PHE  10  -3.747  -3.436  -7.343
   90    HZ   PHE  10           HZ       PHE  10  -3.865  -5.190  -5.618
   91    H    ARG  11           HN       ARG  11   2.752  -2.766  -3.844
   92    HA   ARG  11           HA       ARG  11   3.670  -5.488  -3.988
   93   1HB   ARG  11          2HB       ARG  11   6.046  -4.923  -3.539
   94   2HB   ARG  11          3HB       ARG  11   5.500  -4.428  -5.131
   95   1HG   ARG  11          2HG       ARG  11   6.259  -2.393  -4.706
   96   2HG   ARG  11          3HG       ARG  11   5.036  -2.237  -3.441
   97   1HD   ARG  11          2HD       ARG  11   6.616  -2.246  -1.888
   98   2HD   ARG  11          3HD       ARG  11   7.158  -3.832  -2.441
   99    HE   ARG  11           HE       ARG  11   8.171  -1.775  -4.110
  100   1HH1  ARG  11          2HH1      ARG  11   8.612  -3.262  -0.988
  101   2HH1  ARG  11          1HH1      ARG  11  10.290  -2.846  -0.884
  102   1HH2  ARG  11          2HH2      ARG  11  10.380  -1.228  -3.983
  103   2HH2  ARG  11          1HH2      ARG  11  11.295  -1.693  -2.587
  104    H    LYS  12           HN       LYS  12   1.867  -4.735  -2.228
  105    HA   LYS  12           HA       LYS  12   3.330  -4.398   0.309
  106   1HB   LYS  12          2HB       LYS  12   0.429  -3.790  -0.342
  107   2HB   LYS  12          3HB       LYS  12   1.114  -3.714   1.272
  108   1HG   LYS  12          2HG       LYS  12   0.885  -1.499   0.186
  109   2HG   LYS  12          3HG       LYS  12   2.543  -1.884   0.644
  110   1HD   LYS  12          2HD       LYS  12   3.192  -2.226  -1.575
  111   2HD   LYS  12          3HD       LYS  12   1.528  -2.423  -2.126
  112   1HE   LYS  12          2HE       LYS  12   1.319  -0.240  -2.508
  113   2HE   LYS  12          3HE       LYS  12   1.925   0.162  -0.903
  114   1HZ   LYS  12          1HZ       LYS  12   4.202  -0.428  -1.984
  115   2HZ   LYS  12          2HZ       LYS  12   3.514   1.097  -2.234
  116   3HZ   LYS  12          3HZ       LYS  12   3.392  -0.092  -3.431
  117    H    LEU  13           HN       LEU  13   2.646  -5.854   2.100
  118    HA   LEU  13           HA       LEU  13   1.023  -8.143   1.274
  119   1HB   LEU  13          2HB       LEU  13   2.917  -9.654   2.178
  120   2HB   LEU  13          3HB       LEU  13   3.012  -9.032   0.541
  121    HG   LEU  13           HG       LEU  13   4.295  -7.151   2.244
  122   1HD1  LEU  13          1HD1      LEU  13   4.394  -9.259   3.724
  123   2HD1  LEU  13          2HD1      LEU  13   5.565  -9.848   2.543
  124   3HD1  LEU  13          3HD1      LEU  13   5.882  -8.358   3.434
  125   1HD2  LEU  13          1HD2      LEU  13   6.067  -8.844   0.706
  126   2HD2  LEU  13          2HD2      LEU  13   4.654  -8.359  -0.230
  127   3HD2  LEU  13          3HD2      LEU  13   5.685  -7.135   0.508
  128    H    GLY  14           HN       GLY  14   0.419  -9.595   2.943
  129   1HA   GLY  14          1HA       GLY  14   0.359 -10.277   5.238
  130   2HA   GLY  14          2HA       GLY  14   0.903  -8.672   5.694
  131    H    LYS  15           HN       LYS  15  -1.792  -9.759   3.618
  132    HA   LYS  15           HA       LYS  15  -3.899  -8.762   3.492
  133   1HB   LYS  15          2HB       LYS  15  -3.583 -10.600   5.769
  134   2HB   LYS  15          3HB       LYS  15  -5.018  -9.586   5.845
  135   1HG   LYS  15          2HG       LYS  15  -4.772 -10.634   3.206
  136   2HG   LYS  15          3HG       LYS  15  -4.625 -11.953   4.369
  137   1HD   LYS  15          2HD       LYS  15  -6.727 -11.454   5.339
  138   2HD   LYS  15          3HD       LYS  15  -6.823  -9.902   4.505
  139   1HE   LYS  15          2HE       LYS  15  -8.274 -11.340   3.332
  140   2HE   LYS  15          3HE       LYS  15  -6.818 -11.224   2.343
  141   1HZ   LYS  15          1HZ       LYS  15  -7.075 -13.410   4.293
  142   2HZ   LYS  15          2HZ       LYS  15  -6.197 -13.361   2.849
  143   3HZ   LYS  15          3HZ       LYS  15  -7.879 -13.523   2.810
  144    H    CYS  16           HN       CYS  16  -3.395  -6.527   3.583
  145    HA   CYS  16           HA       CYS  16  -3.451  -4.410   4.394
  146   1HB   CYS  16          2HB       CYS  16  -5.847  -5.605   5.026
  147   2HB   CYS  16          3HB       CYS  16  -5.329  -4.947   6.577
  148    H    THR  17           HN       THR  17  -1.290  -5.569   5.270
  149    HA   THR  17           HA       THR  17  -1.026  -5.632   8.119
  150    HB   THR  17           HB       THR  17   0.703  -6.095   5.774
  151    HG1  THR  17           1HG      THR  17  -0.224  -7.417   7.889
  152   1HG2  THR  17          1HG2      THR  17   1.849  -5.021   8.353
  153   2HG2  THR  17          2HG2      THR  17   2.110  -4.415   6.718
  154   3HG2  THR  17          3HG2      THR  17   2.787  -5.971   7.200
  155    H    THR  18           HN       THR  18   0.274  -4.188   9.389
  156    HA   THR  18           HA       THR  18  -0.302  -1.502   9.121
  157    HB   THR  18           HB       THR  18   1.747  -3.009  10.685
  158    HG1  THR  18           1HG      THR  18  -0.019  -2.826  11.876
  159   1HG2  THR  18          1HG2      THR  18   1.652   0.007  10.681
  160   2HG2  THR  18          2HG2      THR  18   2.875  -0.930   9.821
  161   3HG2  THR  18          3HG2      THR  18   2.756  -1.035  11.580
  162    H    LEU  19           HN       LEU  19   2.807  -3.092   8.384
  163    HA   LEU  19           HA       LEU  19   4.192  -0.932   7.398
  164   1HB   LEU  19          2HB       LEU  19   4.521  -3.723   7.439
  165   2HB   LEU  19          3HB       LEU  19   4.733  -3.241   5.767
  166    HG   LEU  19           HG       LEU  19   6.857  -3.335   7.038
  167   1HD1  LEU  19          1HD1      LEU  19   5.857  -0.890   5.693
  168   2HD1  LEU  19          2HD1      LEU  19   7.409  -0.790   6.523
  169   3HD1  LEU  19          3HD1      LEU  19   7.169  -1.978   5.242
  170   1HD2  LEU  19          1HD2      LEU  19   5.319  -1.831   8.927
  171   2HD2  LEU  19          2HD2      LEU  19   6.927  -2.536   9.108
  172   3HD2  LEU  19          3HD2      LEU  19   6.745  -0.907   8.453
  173    H    GLU  20           HN       GLU  20   1.567  -2.640   5.915
  174    HA   GLU  20           HA       GLU  20   2.094  -1.608   3.280
  175   1HB   GLU  20          2HB       GLU  20  -0.528  -2.761   4.209
  176   2HB   GLU  20          3HB       GLU  20   0.132  -2.733   2.579
  177   1HG   GLU  20          2HG       GLU  20   0.677  -4.572   4.822
  178   2HG   GLU  20          3HG       GLU  20   0.533  -4.897   3.097
  179    H    GLU  21           HN       GLU  21  -0.311  -0.977   5.823
  180    HA   GLU  21           HA       GLU  21  -1.550   1.188   4.462
  181   1HB   GLU  21          2HB       GLU  21  -2.646   1.677   6.547
  182   2HB   GLU  21          3HB       GLU  21  -2.579  -0.071   6.369
  183   1HG   GLU  21          2HG       GLU  21  -1.029  -0.320   8.047
  184   2HG   GLU  21          3HG       GLU  21  -0.447   1.338   7.900
  185    H    GLU  22           HN       GLU  22   1.336   0.792   6.245
  186    HA   GLU  22           HA       GLU  22   1.766   3.564   6.864
  187   1HB   GLU  22          2HB       GLU  22   3.167   0.996   7.283
  188   2HB   GLU  22          3HB       GLU  22   4.210   2.396   7.097
  189   1HG   GLU  22          2HG       GLU  22   2.149   3.129   8.876
  190   2HG   GLU  22          3HG       GLU  22   2.737   1.544   9.377
  191    H    LYS  23           HN       LYS  23   2.769   1.233   4.419
  192    HA   LYS  23           HA       LYS  23   4.726   2.688   3.096
  193   1HB   LYS  23          2HB       LYS  23   4.352   0.420   2.456
  194   2HB   LYS  23          3HB       LYS  23   2.658   0.727   2.094
  195   1HG   LYS  23          2HG       LYS  23   3.219   1.014  -0.030
  196   2HG   LYS  23          3HG       LYS  23   4.167   2.433   0.444
  197   1HD   LYS  23          2HD       LYS  23   5.567   0.887  -0.761
  198   2HD   LYS  23          3HD       LYS  23   6.084   0.950   0.918
  199   1HE   LYS  23          2HE       LYS  23   4.318  -1.083   1.031
  200   2HE   LYS  23          3HE       LYS  23   4.888  -1.260  -0.628
  201   1HZ   LYS  23          1HZ       LYS  23   6.238  -1.835   1.834
  202   2HZ   LYS  23          2HZ       LYS  23   7.169  -0.876   0.797
  203   3HZ   LYS  23          3HZ       LYS  23   6.581  -2.369   0.264
  204    H    CYS  24           HN       CYS  24   1.236   2.599   2.557
  205    HA   CYS  24           HA       CYS  24   1.177   4.597   0.560
  206   1HB   CYS  24          2HB       CYS  24  -1.147   3.959   2.347
  207   2HB   CYS  24          3HB       CYS  24  -1.144   4.366   0.633
  208    H    LYS  25           HN       LYS  25   0.923   4.732   4.077
  209    HA   LYS  25           HA       LYS  25   0.026   7.457   4.096
  210   1HB   LYS  25          2HB       LYS  25   0.358   5.356   6.008
  211   2HB   LYS  25          3HB       LYS  25   1.163   6.802   6.603
  212   1HG   LYS  25          2HG       LYS  25  -1.037   6.883   7.435
  213   2HG   LYS  25          3HG       LYS  25  -0.972   8.051   6.113
  214   1HD   LYS  25          2HD       LYS  25  -1.798   5.280   5.445
  215   2HD   LYS  25          3HD       LYS  25  -2.940   6.265   6.361
  216   1HE   LYS  25          2HE       LYS  25  -1.665   7.033   3.734
  217   2HE   LYS  25          3HE       LYS  25  -3.311   6.433   3.938
  218   1HZ   LYS  25          1HZ       LYS  25  -3.204   8.861   3.761
  219   2HZ   LYS  25          2HZ       LYS  25  -2.252   8.926   5.158
  220   3HZ   LYS  25          3HZ       LYS  25  -3.845   8.366   5.248
  221    H    THR  26           HN       THR  26   2.957   6.138   5.605
  222    HA   THR  26           HA       THR  26   4.344   8.465   5.913
  223    HB   THR  26           HB       THR  26   6.415   7.147   5.928
  224    HG1  THR  26           1HG      THR  26   5.385   5.701   4.143
  225   1HG2  THR  26          1HG2      THR  26   4.107   5.703   7.237
  226   2HG2  THR  26          2HG2      THR  26   4.927   7.123   7.888
  227   3HG2  THR  26          3HG2      THR  26   5.805   5.604   7.708
  228    H    LEU  27           HN       LEU  27   4.245   6.472   2.946
  229    HA   LEU  27           HA       LEU  27   6.157   8.221   1.670
  230   1HB   LEU  27          2HB       LEU  27   4.663   5.774   0.813
  231   2HB   LEU  27          3HB       LEU  27   5.515   6.761  -0.358
  232    HG   LEU  27           HG       LEU  27   7.527   6.445   1.310
  233   1HD1  LEU  27          1HD1      LEU  27   6.274   5.281   3.021
  234   2HD1  LEU  27          2HD1      LEU  27   5.801   4.036   1.861
  235   3HD1  LEU  27          3HD1      LEU  27   7.494   4.212   2.329
  236   1HD2  LEU  27          1HD2      LEU  27   7.174   3.946  -0.123
  237   2HD2  LEU  27          2HD2      LEU  27   6.770   5.352  -1.107
  238   3HD2  LEU  27          3HD2      LEU  27   8.361   5.229  -0.357
  239    H    TYR  28           HN       TYR  28   2.662   7.617   1.522
  240    HA   TYR  28           HA       TYR  28   2.454   9.910  -0.326
  241   1HB   TYR  28          2HB       TYR  28   0.208   7.964   0.001
  242   2HB   TYR  28          3HB       TYR  28   0.637   8.944  -1.392
  243    HD1  TYR  28           1HD      TYR  28  -0.117   6.005  -1.359
  244    HD2  TYR  28           2HD      TYR  28   3.664   7.946  -1.254
  245    HE1  TYR  28           1HE      TYR  28   0.919   4.029  -2.384
  246    HE2  TYR  28           2HE      TYR  28   4.709   5.978  -2.275
  247    HH   TYR  28           HH       TYR  28   3.768   3.999  -3.850
  248    HA   PRO  29           HA       PRO  29   0.316  11.568   3.319
  249   1HB   PRO  29          2HB       PRO  29   0.703  14.165   2.769
  250   2HB   PRO  29          3HB       PRO  29   2.005  13.157   3.409
  251   1HG   PRO  29          2HG       PRO  29   1.511  14.060   0.605
  252   2HG   PRO  29          3HG       PRO  29   3.042  13.924   1.486
  253   1HD   PRO  29          2HD       PRO  29   2.095  12.059  -0.320
  254   2HD   PRO  29          3HD       PRO  29   3.277  11.716   0.957
  255    H    ARG  30           HN       ARG  30  -1.486  10.535   1.891
  256    HA   ARG  30           HA       ARG  30  -3.069  12.637   0.576
  257   1HB   ARG  30          2HB       ARG  30  -2.945   9.657   0.231
  258   2HB   ARG  30          3HB       ARG  30  -4.353  10.564  -0.303
  259   1HG   ARG  30          2HG       ARG  30  -1.551  11.190  -1.194
  260   2HG   ARG  30          3HG       ARG  30  -2.636  10.106  -2.066
  261   1HD   ARG  30          2HD       ARG  30  -3.094  12.049  -3.166
  262   2HD   ARG  30          3HD       ARG  30  -4.273  12.175  -1.861
  263    HE   ARG  30           HE       ARG  30  -2.334  13.495  -0.741
  264   1HH1  ARG  30          2HH1      ARG  30  -3.221  13.546  -4.110
  265   2HH1  ARG  30          1HH1      ARG  30  -2.659  15.164  -4.366
  266   1HH2  ARG  30          2HH2      ARG  30  -1.590  15.625  -1.069
  267   2HH2  ARG  30          1HH2      ARG  30  -1.730  16.345  -2.638
  268    H    GLY  31           HN       GLY  31  -5.509  11.785   0.556
  269   1HA   GLY  31          1HA       GLY  31  -6.269  11.405   3.379
  270   2HA   GLY  31          2HA       GLY  31  -7.153  12.449   2.274
  271    H    GLN  32           HN       GLN  32  -6.702  10.451   0.086
  272    HA   GLN  32           HA       GLN  32  -8.814   8.567   0.879
  273   1HB   GLN  32          2HB       GLN  32  -8.312   8.819  -1.995
  274   2HB   GLN  32          3HB       GLN  32  -9.831   8.874  -1.111
  275   1HG   GLN  32          2HG       GLN  32  -9.831  10.997  -1.858
  276   2HG   GLN  32          3HG       GLN  32  -8.859  11.256  -0.409
  277   1HE2  GLN  32          1HE2      GLN  32  -8.370  10.170  -3.756
  278   2HE2  GLN  32          2HE2      GLN  32  -6.967  11.136  -4.044
  279    H    CYS  33           HN       CYS  33  -5.725   8.558   0.908
  280    HA   CYS  33           HA       CYS  33  -5.275   6.082  -0.606
  281   1HB   CYS  33          2HB       CYS  33  -3.682   8.014  -0.879
  282   2HB   CYS  33          3HB       CYS  33  -3.221   7.796   0.804
  283    H    THR  34           HN       THR  34  -4.526   4.213   0.396
  284    HA   THR  34           HA       THR  34  -3.732   3.983   3.062
  285    HB   THR  34           HB       THR  34  -6.079   4.720   3.471
  286    HG1  THR  34           1HG      THR  34  -6.472   3.007   5.012
  287   1HG2  THR  34          1HG2      THR  34  -7.860   3.727   2.551
  288   2HG2  THR  34          2HG2      THR  34  -7.267   2.114   2.952
  289   3HG2  THR  34          3HG2      THR  34  -6.725   2.911   1.475
  290    H    CYS  35           HN       CYS  35  -5.280   1.419   3.475
  291    HA   CYS  35           HA       CYS  35  -3.620  -0.207   1.698
  292   1HB   CYS  35          2HB       CYS  35  -3.223  -0.961   3.843
  293   2HB   CYS  35          3HB       CYS  35  -4.867  -0.627   4.379
  294    H    SER  36           HN       SER  36  -4.412  -1.709   0.319
  295    HA   SER  36           HA       SER  36  -7.301  -2.171   0.223
  296   1HB   SER  36          2HB       SER  36  -5.780  -0.629  -1.699
  297   2HB   SER  36          3HB       SER  36  -6.509  -2.041  -2.464
  298    HG   SER  36           HG       SER  36  -7.765   0.064  -2.194
  299    H    ASP  37           HN       ASP  37  -7.497  -4.288   0.468
  300    HA   ASP  37           HA       ASP  37  -5.712  -6.059  -1.068
  301   1HB   ASP  37          2HB       ASP  37  -5.138  -6.127   1.326
  302   2HB   ASP  37          3HB       ASP  37  -6.802  -6.553   1.712
  303    H    SER  38           HN       SER  38  -6.629  -8.159  -1.598
  304    HA   SER  38           HA       SER  38  -9.568  -8.068  -1.817
  305   1HB   SER  38          2HB       SER  38  -7.531  -9.185  -3.757
  306   2HB   SER  38          3HB       SER  38  -9.270  -9.440  -3.902
  307    HG   SER  38           HG       SER  38  -8.609  -6.815  -3.558
  308    H    LYS  39           HN       LYS  39  -7.286 -10.673  -2.550
  309    HA   LYS  39           HA       LYS  39  -7.716 -12.171  -0.197
  310   1HB   LYS  39          2HB       LYS  39  -9.931 -12.242  -1.802
  311   2HB   LYS  39          3HB       LYS  39  -9.048 -13.656  -2.361
  312   1HG   LYS  39          2HG       LYS  39  -9.281 -13.351   0.560
  313   2HG   LYS  39          3HG       LYS  39 -10.775 -13.694  -0.313
  314   1HD   LYS  39          2HD       LYS  39 -10.129 -15.790  -0.860
  315   2HD   LYS  39          3HD       LYS  39  -8.441 -15.322  -1.080
  316   1HE   LYS  39          2HE       LYS  39  -9.217 -15.076   1.682
  317   2HE   LYS  39          3HE       LYS  39  -9.562 -16.698   1.084
  318   1HZ   LYS  39          1HZ       LYS  39  -6.951 -15.292   1.064
  319   2HZ   LYS  39          2HZ       LYS  39  -7.234 -16.738   0.234
  320   3HZ   LYS  39          3HZ       LYS  39  -7.360 -16.693   1.920
  321    H    MET  40           HN       MET  40  -5.382 -11.742  -1.119
  322    HA   MET  40           HA       MET  40  -4.499 -14.289  -2.205
  323   1HB   MET  40          2HB       MET  40  -4.416 -11.737  -3.680
  324   2HB   MET  40          3HB       MET  40  -2.917 -12.656  -3.684
  325   1HG   MET  40          2HG       MET  40  -4.579 -14.628  -4.304
  326   2HG   MET  40          3HG       MET  40  -5.534 -13.278  -4.918
  327   1HE   MET  40          1HE       MET  40  -2.868 -11.288  -6.119
  328   2HE   MET  40          2HE       MET  40  -3.541 -11.747  -7.683
  329   3HE   MET  40          3HE       MET  40  -4.613 -11.464  -6.312
  330    H    ASN  41           HN       ASN  41  -4.284 -12.343   0.207
  331    HA   ASN  41           HA       ASN  41  -2.779 -12.090   1.902
  332   1HB   ASN  41          2HB       ASN  41  -1.886 -14.310   1.318
  333   2HB   ASN  41          3HB       ASN  41  -0.840 -13.571   0.110
  334   1HD2  ASN  41          1HD2      ASN  41   1.157 -13.735   0.840
  335   2HD2  ASN  41          2HD2      ASN  41   1.695 -13.301   2.423
  336    H    THR  42           HN       THR  42  -1.793 -11.292  -1.368
  337    HA   THR  42           HA       THR  42  -0.101  -9.140  -0.327
  338    HB   THR  42           HB       THR  42   0.096  -8.954  -3.060
  339    HG1  THR  42           1HG      THR  42   0.244 -11.730  -2.509
  340   1HG2  THR  42          1HG2      THR  42   2.114 -10.738  -2.264
  341   2HG2  THR  42          2HG2      THR  42   1.725  -9.777  -0.837
  342   3HG2  THR  42          3HG2      THR  42   2.203  -8.977  -2.334
  343    H    HIS  43           HN       HIS  43  -0.453  -7.030  -0.799
  344    HA   HIS  43           HA       HIS  43  -2.745  -6.198  -2.388
  345   1HB   HIS  43          2HB       HIS  43  -3.358  -4.683  -0.334
  346   2HB   HIS  43          3HB       HIS  43  -3.930  -6.348  -0.371
  347    HD1  HIS  43           1HD      HIS  43  -2.147  -8.050   0.872
  348    HD2  HIS  43           2HD      HIS  43  -2.129  -4.058   2.005
  349    HE1  HIS  43           1HE      HIS  43  -1.023  -7.979   3.096
  350    HE2  HIS  43           2HE      HIS  43  -1.129  -5.581   3.825
  351    H    SER  44           HN       SER  44  -2.838  -3.579  -1.885
  352    HA   SER  44           HA       SER  44  -0.213  -2.487  -1.489
  353   1HB   SER  44          2HB       SER  44  -0.052  -1.354  -3.677
  354   2HB   SER  44          3HB       SER  44   0.039  -3.114  -3.813
  355    HG   SER  44           HG       SER  44  -2.489  -2.589  -4.027
  356    H    CYS  45           HN       CYS  45  -1.059  -0.039  -3.075
  357    HA   CYS  45           HA       CYS  45  -2.823   1.028  -0.985
  358   1HB   CYS  45          2HB       CYS  45  -1.089   2.570  -2.918
  359   2HB   CYS  45          3HB       CYS  45  -1.924   3.204  -1.502
  360    H    ASP  46           HN       ASP  46  -4.190   2.954  -1.777
  361    HA   ASP  46           HA       ASP  46  -5.162   2.677  -4.496
  362   1HB   ASP  46          2HB       ASP  46  -6.390   0.990  -3.004
  363   2HB   ASP  46          3HB       ASP  46  -7.150   2.390  -2.251
  364    H    CYS  47           HN       CYS  47  -3.835   4.810  -3.354
  365    HA   CYS  47           HA       CYS  47  -5.506   6.808  -2.272
  366   1HB   CYS  47          2HB       CYS  47  -3.355   7.764  -4.028
  367   2HB   CYS  47          3HB       CYS  47  -3.659   8.116  -2.331
  368    H    LYS  48           HN       LYS  48  -5.059   5.568  -5.427
  369    HA   LYS  48           HA       LYS  48  -6.963   7.542  -6.476
  370   1HB   LYS  48          2HB       LYS  48  -4.354   7.621  -7.182
  371   2HB   LYS  48          3HB       LYS  48  -4.964   6.492  -8.384
  372   1HG   LYS  48          2HG       LYS  48  -6.697   8.787  -8.124
  373   2HG   LYS  48          3HG       LYS  48  -5.039   9.261  -8.503
  374   1HD   LYS  48          2HD       LYS  48  -5.022   7.795 -10.427
  375   2HD   LYS  48          3HD       LYS  48  -6.631   7.193 -10.018
  376   1HE   LYS  48          2HE       LYS  48  -6.961   9.933 -10.108
  377   2HE   LYS  48          3HE       LYS  48  -5.843   9.610 -11.433
  378   1HZ   LYS  48          1HZ       LYS  48  -7.742   9.209 -12.539
  379   2HZ   LYS  48          2HZ       LYS  48  -8.636   8.872 -11.143
  380   3HZ   LYS  48          3HZ       LYS  48  -7.637   7.684 -11.815
  381    H    SER  49           HN       SER  49  -8.557   6.743  -7.670
  382    HA   SER  49           HA       SER  49  -9.365   4.126  -7.528
  383   1HB   SER  49          2HB       SER  49 -10.508   6.352  -8.469
  384   2HB   SER  49          3HB       SER  49 -10.094   5.599 -10.009
  385    HG   SER  49           HG       SER  49 -11.594   4.153  -9.697
  386    H    CYS  50           HN       CYS  50  -7.805   2.604  -7.986
  387    HA   CYS  50           HA       CYS  50  -7.261   2.193 -10.831
  388   1HB   CYS  50          2HB       CYS  50  -4.892   1.597 -10.314
  389   2HB   CYS  50          3HB       CYS  50  -5.260   3.301 -10.073
  Start of MODEL   20
    1   1H    ASN   1          1H        ASN   1  -1.940  19.149 -11.315
    2   2H    ASN   1          2H        ASN   1  -1.979  17.516 -10.876
    3   3H    ASN   1          3H        ASN   1  -0.758  18.522 -10.277
    4    HA   ASN   1           HA       ASN   1  -2.021  18.708  -8.473
    5   1HB   ASN   1          2HB       ASN   1  -3.726  20.351 -10.361
    6   2HB   ASN   1          3HB       ASN   1  -3.620  20.546  -8.613
    7   1HD2  ASN   1          1HD2      ASN   1  -1.028  20.496  -8.061
    8   2HD2  ASN   1          2HD2      ASN   1  -0.184  21.766  -8.872
    9    H    LEU   2           HN       LEU   2  -3.967  18.218  -7.314
   10    HA   LEU   2           HA       LEU   2  -5.712  16.862  -6.783
   11   1HB   LEU   2          2HB       LEU   2  -6.572  18.480  -8.770
   12   2HB   LEU   2          3HB       LEU   2  -6.843  16.915  -9.512
   13    HG   LEU   2           HG       LEU   2  -7.908  16.676  -6.939
   14   1HD1  LEU   2          1HD1      LEU   2  -8.907  18.580  -6.318
   15   2HD1  LEU   2          2HD1      LEU   2  -7.723  19.363  -7.366
   16   3HD1  LEU   2          3HD1      LEU   2  -9.340  19.006  -7.974
   17   1HD2  LEU   2          1HD2      LEU   2  -8.840  15.609  -8.867
   18   2HD2  LEU   2          2HD2      LEU   2 -10.073  16.666  -8.178
   19   3HD2  LEU   2          3HD2      LEU   2  -9.191  17.165  -9.621
   20    H    MET   3           HN       MET   3  -3.273  15.706  -8.022
   21    HA   MET   3           HA       MET   3  -4.457  13.150  -8.881
   22   1HB   MET   3          2HB       MET   3  -2.176  14.691 -10.054
   23   2HB   MET   3          3HB       MET   3  -2.154  12.934 -10.132
   24   1HG   MET   3          2HG       MET   3  -4.721  13.796 -10.954
   25   2HG   MET   3          3HG       MET   3  -3.524  14.778 -11.798
   26   1HE   MET   3          1HE       MET   3  -3.993  10.696 -10.972
   27   2HE   MET   3          2HE       MET   3  -5.377  11.709 -11.381
   28   3HE   MET   3          3HE       MET   3  -4.758  10.548 -12.554
   29    H    LYS   4           HN       LYS   4  -3.411  11.263  -8.201
   30    HA   LYS   4           HA       LYS   4  -1.373  11.638  -6.106
   31   1HB   LYS   4          2HB       LYS   4  -3.160   9.293  -5.876
   32   2HB   LYS   4          3HB       LYS   4  -2.495  10.329  -4.622
   33   1HG   LYS   4          2HG       LYS   4  -4.558  11.130  -4.411
   34   2HG   LYS   4          3HG       LYS   4  -4.248  11.997  -5.917
   35   1HD   LYS   4          2HD       LYS   4  -4.983   9.540  -6.839
   36   2HD   LYS   4          3HD       LYS   4  -5.978   9.686  -5.389
   37   1HE   LYS   4          2HE       LYS   4  -5.959  12.143  -6.912
   38   2HE   LYS   4          3HE       LYS   4  -6.496  10.781  -7.896
   39   1HZ   LYS   4          1HZ       LYS   4  -8.371  10.543  -6.701
   40   2HZ   LYS   4          2HZ       LYS   4  -8.111  12.168  -6.309
   41   3HZ   LYS   4          3HZ       LYS   4  -7.639  10.953  -5.231
   42    H    ARG   5           HN       ARG   5  -1.192   8.765  -5.653
   43    HA   ARG   5           HA       ARG   5  -0.465   7.527  -8.136
   44   1HB   ARG   5          2HB       ARG   5   1.972   7.243  -7.373
   45   2HB   ARG   5          3HB       ARG   5   1.507   8.789  -8.068
   46   1HG   ARG   5          2HG       ARG   5   1.044   9.092  -5.350
   47   2HG   ARG   5          3HG       ARG   5   2.552   8.181  -5.447
   48   1HD   ARG   5          2HD       ARG   5   3.168   9.963  -7.256
   49   2HD   ARG   5          3HD       ARG   5   1.914  10.916  -6.464
   50    HE   ARG   5           HE       ARG   5   3.383  10.228  -4.372
   51   1HH1  ARG   5          2HH1      ARG   5   4.376  11.352  -7.516
   52   2HH1  ARG   5          1HH1      ARG   5   5.820  12.109  -6.933
   53   1HH2  ARG   5          2HH2      ARG   5   5.285  11.217  -3.595
   54   2HH2  ARG   5          1HH2      ARG   5   6.338  12.031  -4.703
   55    H    CYS   6           HN       CYS   6  -2.164   6.280  -6.855
   56    HA   CYS   6           HA       CYS   6  -1.717   4.909  -4.513
   57   1HB   CYS   6          2HB       CYS   6  -3.228   3.138  -5.468
   58   2HB   CYS   6          3HB       CYS   6  -3.858   4.777  -5.588
   59    H    THR   7           HN       THR   7  -0.340   3.370  -3.849
   60    HA   THR   7           HA       THR   7   1.284   1.790  -3.839
   61    HB   THR   7           HB       THR   7   0.923  -0.098  -5.054
   62    HG1  THR   7           1HG      THR   7   1.104  -0.083  -7.168
   63   1HG2  THR   7          1HG2      THR   7  -1.265  -0.134  -4.563
   64   2HG2  THR   7          2HG2      THR   7  -1.518   0.301  -6.253
   65   3HG2  THR   7          3HG2      THR   7  -1.484   1.556  -5.015
   66    H    ARG   8           HN       ARG   8   3.345   1.216  -4.648
   67    HA   ARG   8           HA       ARG   8   4.436   3.163  -6.563
   68   1HB   ARG   8          2HB       ARG   8   5.676   1.574  -4.324
   69   2HB   ARG   8          3HB       ARG   8   6.665   2.295  -5.586
   70   1HG   ARG   8          2HG       ARG   8   6.370   4.395  -4.809
   71   2HG   ARG   8          3HG       ARG   8   4.727   4.074  -4.249
   72   1HD   ARG   8          2HD       ARG   8   6.201   4.460  -2.363
   73   2HD   ARG   8          3HD       ARG   8   5.626   2.795  -2.365
   74    HE   ARG   8           HE       ARG   8   8.338   3.674  -3.093
   75   1HH1  ARG   8          2HH1      ARG   8   6.090   1.172  -2.176
   76   2HH1  ARG   8          1HH1      ARG   8   7.320  -0.023  -1.939
   77   1HH2  ARG   8          2HH2      ARG   8   9.962   2.105  -2.783
   78   2HH2  ARG   8          1HH2      ARG   8   9.521   0.506  -2.286
   79    H    GLY   9           HN       GLY   9   2.925   0.801  -7.214
   80   1HA   GLY   9          1HA       GLY   9   3.442  -0.313  -9.375
   81   2HA   GLY   9          2HA       GLY   9   4.976  -0.771  -8.643
   82    H    PHE  10           HN       PHE  10   2.281  -0.754  -6.556
   83    HA   PHE  10           HA       PHE  10   1.126  -2.373  -5.461
   84   1HB   PHE  10          2HB       PHE  10   0.562  -2.817  -8.013
   85   2HB   PHE  10          3HB       PHE  10   1.472  -4.294  -7.724
   86    HD1  PHE  10           1HD      PHE  10   0.749  -5.460  -5.380
   87    HD2  PHE  10           2HD      PHE  10  -1.699  -2.981  -7.822
   88    HE1  PHE  10           1HE      PHE  10  -1.260  -6.510  -4.422
   89    HE2  PHE  10           2HE      PHE  10  -3.714  -4.026  -6.869
   90    HZ   PHE  10           HZ       PHE  10  -3.495  -5.793  -5.166
   91    H    ARG  11           HN       ARG  11   2.646  -2.819  -3.826
   92    HA   ARG  11           HA       ARG  11   3.776  -5.439  -3.974
   93   1HB   ARG  11          2HB       ARG  11   6.124  -4.721  -3.520
   94   2HB   ARG  11          3HB       ARG  11   5.550  -4.337  -5.133
   95   1HG   ARG  11          2HG       ARG  11   6.099  -2.220  -4.823
   96   2HG   ARG  11          3HG       ARG  11   4.969  -2.123  -3.469
   97   1HD   ARG  11          2HD       ARG  11   6.700  -1.871  -2.106
   98   2HD   ARG  11          3HD       ARG  11   7.201  -3.513  -2.516
   99    HE   ARG  11           HE       ARG  11   8.053  -1.421  -4.341
  100   1HH1  ARG  11          2HH1      ARG  11   8.849  -3.456  -1.625
  101   2HH1  ARG  11          1HH1      ARG  11  10.560  -3.260  -1.816
  102   1HH2  ARG  11          2HH2      ARG  11  10.303  -1.158  -4.598
  103   2HH2  ARG  11          1HH2      ARG  11  11.385  -1.951  -3.503
  104    H    LYS  12           HN       LYS  12   1.944  -4.742  -2.216
  105    HA   LYS  12           HA       LYS  12   3.398  -4.367   0.323
  106   1HB   LYS  12          2HB       LYS  12   0.501  -3.782  -0.359
  107   2HB   LYS  12          3HB       LYS  12   1.147  -3.738   1.272
  108   1HG   LYS  12          2HG       LYS  12   0.959  -1.499   0.312
  109   2HG   LYS  12          3HG       LYS  12   2.637  -1.913   0.658
  110   1HD   LYS  12          2HD       LYS  12   3.217  -1.946  -1.543
  111   2HD   LYS  12          3HD       LYS  12   1.623  -2.495  -2.065
  112   1HE   LYS  12          2HE       LYS  12   0.892  -0.406  -2.393
  113   2HE   LYS  12          3HE       LYS  12   1.581   0.163  -0.873
  114   1HZ   LYS  12          1HZ       LYS  12   3.157   1.165  -2.036
  115   2HZ   LYS  12          2HZ       LYS  12   2.544   0.549  -3.486
  116   3HZ   LYS  12          3HZ       LYS  12   3.697  -0.332  -2.616
  117    H    LEU  13           HN       LEU  13   2.617  -5.811   2.140
  118    HA   LEU  13           HA       LEU  13   1.089  -8.134   1.232
  119   1HB   LEU  13          2HB       LEU  13   3.002  -9.561   2.343
  120   2HB   LEU  13          3HB       LEU  13   3.057  -9.098   0.653
  121    HG   LEU  13           HG       LEU  13   4.310  -7.067   2.263
  122   1HD1  LEU  13          1HD1      LEU  13   4.615  -9.561   3.412
  123   2HD1  LEU  13          2HD1      LEU  13   6.070  -9.362   2.436
  124   3HD1  LEU  13          3HD1      LEU  13   5.655  -8.158   3.656
  125   1HD2  LEU  13          1HD2      LEU  13   5.408  -8.970   0.195
  126   2HD2  LEU  13          2HD2      LEU  13   4.640  -7.418  -0.142
  127   3HD2  LEU  13          3HD2      LEU  13   6.163  -7.473   0.744
  128    H    GLY  14           HN       GLY  14   0.404  -9.591   2.859
  129   1HA   GLY  14          1HA       GLY  14   0.083 -10.296   5.096
  130   2HA   GLY  14          2HA       GLY  14   0.758  -8.774   5.650
  131    H    LYS  15           HN       LYS  15  -2.038  -9.819   3.650
  132    HA   LYS  15           HA       LYS  15  -4.030  -8.590   3.399
  133   1HB   LYS  15          2HB       LYS  15  -4.166  -9.903   6.115
  134   2HB   LYS  15          3HB       LYS  15  -5.534  -9.455   5.111
  135   1HG   LYS  15          2HG       LYS  15  -4.876 -11.035   3.414
  136   2HG   LYS  15          3HG       LYS  15  -3.422 -11.441   4.329
  137   1HD   LYS  15          2HD       LYS  15  -4.549 -12.958   5.500
  138   2HD   LYS  15          3HD       LYS  15  -5.696 -11.726   6.032
  139   1HE   LYS  15          2HE       LYS  15  -7.250 -12.775   4.839
  140   2HE   LYS  15          3HE       LYS  15  -6.390 -12.264   3.388
  141   1HZ   LYS  15          1HZ       LYS  15  -5.104 -14.309   3.473
  142   2HZ   LYS  15          2HZ       LYS  15  -6.760 -14.650   3.405
  143   3HZ   LYS  15          3HZ       LYS  15  -5.927 -14.798   4.869
  144    H    CYS  16           HN       CYS  16  -3.407  -6.397   3.436
  145    HA   CYS  16           HA       CYS  16  -3.272  -4.258   4.201
  146   1HB   CYS  16          2HB       CYS  16  -5.758  -5.393   5.191
  147   2HB   CYS  16          3HB       CYS  16  -5.172  -4.101   6.234
  148    H    THR  17           HN       THR  17  -1.262  -5.490   5.140
  149    HA   THR  17           HA       THR  17  -1.047  -5.675   7.973
  150    HB   THR  17           HB       THR  17   0.517  -6.344   5.675
  151    HG1  THR  17           1HG      THR  17   1.137  -7.928   7.023
  152   1HG2  THR  17          1HG2      THR  17   2.760  -5.842   6.420
  153   2HG2  THR  17          2HG2      THR  17   2.142  -5.022   7.855
  154   3HG2  THR  17          3HG2      THR  17   1.858  -4.335   6.256
  155    H    THR  18           HN       THR  18   0.453  -4.415   9.292
  156    HA   THR  18           HA       THR  18  -0.032  -1.668   9.195
  157    HB   THR  18           HB       THR  18   1.827  -3.402  10.743
  158    HG1  THR  18           1HG      THR  18   0.185  -3.024  12.020
  159   1HG2  THR  18          1HG2      THR  18   2.464  -0.646  10.006
  160   2HG2  THR  18          2HG2      THR  18   3.477  -1.879  10.759
  161   3HG2  THR  18          3HG2      THR  18   2.395  -0.901  11.752
  162    H    LEU  19           HN       LEU  19   2.888  -3.489   8.285
  163    HA   LEU  19           HA       LEU  19   4.459  -1.350   7.482
  164   1HB   LEU  19          2HB       LEU  19   4.644  -4.136   7.412
  165   2HB   LEU  19          3HB       LEU  19   4.806  -3.640   5.738
  166    HG   LEU  19           HG       LEU  19   6.967  -3.893   6.989
  167   1HD1  LEU  19          1HD1      LEU  19   7.401  -1.216   6.339
  168   2HD1  LEU  19          2HD1      LEU  19   7.624  -2.620   5.294
  169   3HD1  LEU  19          3HD1      LEU  19   6.092  -1.745   5.282
  170   1HD2  LEU  19          1HD2      LEU  19   5.612  -2.006   8.742
  171   2HD2  LEU  19          2HD2      LEU  19   7.011  -3.035   9.050
  172   3HD2  LEU  19          3HD2      LEU  19   7.223  -1.468   8.268
  173    H    GLU  20           HN       GLU  20   1.718  -2.778   5.965
  174    HA   GLU  20           HA       GLU  20   2.272  -1.547   3.406
  175   1HB   GLU  20          2HB       GLU  20   0.957  -3.195   2.666
  176   2HB   GLU  20          3HB       GLU  20   0.635  -3.688   4.320
  177   1HG   GLU  20          2HG       GLU  20  -1.482  -3.349   3.530
  178   2HG   GLU  20          3HG       GLU  20  -1.135  -1.778   4.248
  179    H    GLU  21           HN       GLU  21   0.075  -1.093   6.143
  180    HA   GLU  21           HA       GLU  21  -1.415   1.016   4.996
  181   1HB   GLU  21          2HB       GLU  21  -2.410   1.288   7.090
  182   2HB   GLU  21          3HB       GLU  21  -1.956  -0.408   7.077
  183   1HG   GLU  21          2HG       GLU  21  -0.178  -0.066   8.541
  184   2HG   GLU  21          3HG       GLU  21  -0.190   1.679   8.290
  185    H    GLU  22           HN       GLU  22   1.623   0.885   6.762
  186    HA   GLU  22           HA       GLU  22   1.857   3.694   7.147
  187   1HB   GLU  22          2HB       GLU  22   4.157   3.170   7.748
  188   2HB   GLU  22          3HB       GLU  22   3.053   2.077   8.539
  189   1HG   GLU  22          2HG       GLU  22   4.422   0.483   7.865
  190   2HG   GLU  22          3HG       GLU  22   3.684   0.713   6.281
  191    H    LYS  23           HN       LYS  23   3.305   1.353   4.957
  192    HA   LYS  23           HA       LYS  23   4.893   2.803   3.336
  193   1HB   LYS  23          2HB       LYS  23   4.661   0.519   2.821
  194   2HB   LYS  23          3HB       LYS  23   2.912   0.632   2.688
  195   1HG   LYS  23          2HG       LYS  23   3.128   0.828   0.483
  196   2HG   LYS  23          3HG       LYS  23   4.033   2.330   0.729
  197   1HD   LYS  23          2HD       LYS  23   5.449   0.927  -0.513
  198   2HD   LYS  23          3HD       LYS  23   6.062   0.871   1.134
  199   1HE   LYS  23          2HE       LYS  23   4.238  -1.186   1.076
  200   2HE   LYS  23          3HE       LYS  23   4.958  -1.252  -0.532
  201   1HZ   LYS  23          1HZ       LYS  23   6.728  -0.995   1.794
  202   2HZ   LYS  23          2HZ       LYS  23   7.011  -1.747   0.306
  203   3HZ   LYS  23          3HZ       LYS  23   6.039  -2.506   1.465
  204    H    CYS  24           HN       CYS  24   1.378   2.648   3.179
  205    HA   CYS  24           HA       CYS  24   1.082   4.400   0.972
  206   1HB   CYS  24          2HB       CYS  24  -0.776   3.308   3.058
  207   2HB   CYS  24          3HB       CYS  24  -1.329   4.504   1.887
  208    H    LYS  25           HN       LYS  25   0.765   4.918   4.487
  209    HA   LYS  25           HA       LYS  25   0.023   7.653   4.196
  210   1HB   LYS  25          2HB       LYS  25   0.512   5.790   6.393
  211   2HB   LYS  25          3HB       LYS  25   1.023   7.434   6.754
  212   1HG   LYS  25          2HG       LYS  25  -1.215   7.198   7.504
  213   2HG   LYS  25          3HG       LYS  25  -1.250   8.206   6.057
  214   1HD   LYS  25          2HD       LYS  25  -1.571   5.284   5.678
  215   2HD   LYS  25          3HD       LYS  25  -2.914   6.151   6.424
  216   1HE   LYS  25          2HE       LYS  25  -1.612   6.908   3.810
  217   2HE   LYS  25          3HE       LYS  25  -3.101   5.973   3.957
  218   1HZ   LYS  25          1HZ       LYS  25  -4.197   7.818   4.945
  219   2HZ   LYS  25          2HZ       LYS  25  -3.426   8.390   3.553
  220   3HZ   LYS  25          3HZ       LYS  25  -2.759   8.699   5.077
  221    H    THR  26           HN       THR  26   2.963   6.294   5.661
  222    HA   THR  26           HA       THR  26   4.447   8.578   5.857
  223    HB   THR  26           HB       THR  26   6.473   7.130   5.730
  224    HG1  THR  26           1HG      THR  26   5.351   4.744   5.725
  225   1HG2  THR  26          1HG2      THR  26   5.628   5.523   7.592
  226   2HG2  THR  26          2HG2      THR  26   4.119   6.422   7.443
  227   3HG2  THR  26          3HG2      THR  26   5.607   7.263   7.882
  228    H    LEU  27           HN       LEU  27   4.281   6.430   2.981
  229    HA   LEU  27           HA       LEU  27   6.111   8.171   1.577
  230   1HB   LEU  27          2HB       LEU  27   4.674   5.652   0.824
  231   2HB   LEU  27          3HB       LEU  27   5.581   6.586  -0.349
  232    HG   LEU  27           HG       LEU  27   7.511   6.364   1.416
  233   1HD1  LEU  27          1HD1      LEU  27   6.182   5.315   3.144
  234   2HD1  LEU  27          2HD1      LEU  27   5.766   3.992   2.052
  235   3HD1  LEU  27          3HD1      LEU  27   7.435   4.208   2.582
  236   1HD2  LEU  27          1HD2      LEU  27   7.356   5.442  -0.930
  237   2HD2  LEU  27          2HD2      LEU  27   8.377   4.544   0.193
  238   3HD2  LEU  27          3HD2      LEU  27   6.767   3.946  -0.203
  239    H    TYR  28           HN       TYR  28   2.637   7.412   1.431
  240    HA   TYR  28           HA       TYR  28   2.361   9.554  -0.577
  241   1HB   TYR  28          2HB       TYR  28   0.137   7.643   0.003
  242   2HB   TYR  28          3HB       TYR  28   0.521   8.482  -1.490
  243    HD1  TYR  28           1HD      TYR  28  -0.244   5.593  -1.226
  244    HD2  TYR  28           2HD      TYR  28   3.576   7.464  -1.270
  245    HE1  TYR  28           1HE      TYR  28   0.754   3.521  -2.087
  246    HE2  TYR  28           2HE      TYR  28   4.581   5.399  -2.131
  247    HH   TYR  28           HH       TYR  28   3.925   2.839  -2.009
  248    HA   PRO  29           HA       PRO  29   0.156  11.598   2.792
  249   1HB   PRO  29          2HB       PRO  29   0.540  14.107   1.968
  250   2HB   PRO  29          3HB       PRO  29   1.872  13.160   2.642
  251   1HG   PRO  29          2HG       PRO  29   1.291  13.865  -0.189
  252   2HG   PRO  29          3HG       PRO  29   2.853  13.658   0.620
  253   1HD   PRO  29          2HD       PRO  29   1.518  11.760  -0.993
  254   2HD   PRO  29          3HD       PRO  29   2.939  11.471   0.029
  255    H    ARG  30           HN       ARG  30  -1.902  10.721   2.087
  256    HA   ARG  30           HA       ARG  30  -3.472  12.662   0.541
  257   1HB   ARG  30          2HB       ARG  30  -2.925   9.854  -0.140
  258   2HB   ARG  30          3HB       ARG  30  -4.620  10.305  -0.217
  259   1HG   ARG  30          2HG       ARG  30  -2.502  11.934  -1.580
  260   2HG   ARG  30          3HG       ARG  30  -3.225  10.517  -2.346
  261   1HD   ARG  30          2HD       ARG  30  -4.626  12.135  -3.136
  262   2HD   ARG  30          3HD       ARG  30  -5.467  11.722  -1.641
  263    HE   ARG  30           HE       ARG  30  -3.631  13.789  -1.131
  264   1HH1  ARG  30          2HH1      ARG  30  -6.644  13.216  -2.789
  265   2HH1  ARG  30          1HH1      ARG  30  -7.199  14.846  -2.612
  266   1HH2  ARG  30          2HH2      ARG  30  -4.355  15.939  -0.897
  267   2HH2  ARG  30          1HH2      ARG  30  -5.896  16.395  -1.542
  268    H    GLY  31           HN       GLY  31  -5.875  11.777   0.533
  269   1HA   GLY  31          1HA       GLY  31  -6.564  11.235   3.348
  270   2HA   GLY  31          2HA       GLY  31  -7.556  12.184   2.247
  271    H    GLN  32           HN       GLN  32  -7.129  10.378   0.012
  272    HA   GLN  32           HA       GLN  32  -8.998   8.263   0.809
  273   1HB   GLN  32          2HB       GLN  32  -8.511   8.421  -2.043
  274   2HB   GLN  32          3HB       GLN  32 -10.024   8.585  -1.162
  275   1HG   GLN  32          2HG       GLN  32  -9.290  10.968  -0.663
  276   2HG   GLN  32          3HG       GLN  32  -8.052  10.721  -1.894
  277   1HE2  GLN  32          1HE2      GLN  32  -9.121   9.546  -3.914
  278   2HE2  GLN  32          2HE2      GLN  32 -10.512  10.365  -4.529
  279    H    CYS  33           HN       CYS  33  -5.954   8.496   0.979
  280    HA   CYS  33           HA       CYS  33  -5.196   6.083  -0.517
  281   1HB   CYS  33          2HB       CYS  33  -3.826   8.175  -0.748
  282   2HB   CYS  33          3HB       CYS  33  -3.420   8.038   0.957
  283    H    THR  34           HN       THR  34  -4.592   4.233   0.529
  284    HA   THR  34           HA       THR  34  -3.736   4.066   3.200
  285    HB   THR  34           HB       THR  34  -6.121   4.787   3.551
  286    HG1  THR  34           1HG      THR  34  -5.873   3.772   5.390
  287   1HG2  THR  34          1HG2      THR  34  -7.197   2.103   3.208
  288   2HG2  THR  34          2HG2      THR  34  -6.693   2.829   1.681
  289   3HG2  THR  34          3HG2      THR  34  -7.861   3.659   2.710
  290    H    CYS  35           HN       CYS  35  -5.032   1.503   3.810
  291    HA   CYS  35           HA       CYS  35  -3.516  -0.120   1.916
  292   1HB   CYS  35          2HB       CYS  35  -3.319  -1.731   3.584
  293   2HB   CYS  35          3HB       CYS  35  -3.297  -0.234   4.500
  294    H    SER  36           HN       SER  36  -4.420  -1.389   0.461
  295    HA   SER  36           HA       SER  36  -7.213  -2.209   0.790
  296   1HB   SER  36          2HB       SER  36  -6.913  -0.125  -0.706
  297   2HB   SER  36          3HB       SER  36  -6.212  -1.241  -1.878
  298    HG   SER  36           HG       SER  36  -8.705  -1.799  -0.697
  299    H    ASP  37           HN       ASP  37  -7.496  -4.286   0.430
  300    HA   ASP  37           HA       ASP  37  -5.517  -5.751  -1.168
  301   1HB   ASP  37          2HB       ASP  37  -6.177  -7.698   0.319
  302   2HB   ASP  37          3HB       ASP  37  -5.245  -6.423   1.090
  303    H    SER  38           HN       SER  38  -6.402  -7.806  -2.096
  304    HA   SER  38           HA       SER  38  -9.098  -7.312  -3.140
  305   1HB   SER  38          2HB       SER  38  -6.762  -8.913  -4.179
  306   2HB   SER  38          3HB       SER  38  -8.385  -9.093  -4.845
  307    HG   SER  38           HG       SER  38  -7.636  -6.484  -4.623
  308    H    LYS  39           HN       LYS  39  -7.213 -10.283  -2.631
  309    HA   LYS  39           HA       LYS  39  -8.870 -11.353  -0.615
  310   1HB   LYS  39          2HB       LYS  39  -9.975 -11.523  -3.209
  311   2HB   LYS  39          3HB       LYS  39  -9.401 -13.137  -2.811
  312   1HG   LYS  39          2HG       LYS  39 -10.653 -12.648  -0.542
  313   2HG   LYS  39          3HG       LYS  39 -11.558 -11.526  -1.561
  314   1HD   LYS  39          2HD       LYS  39 -12.593 -13.184  -2.685
  315   2HD   LYS  39          3HD       LYS  39 -11.152 -14.203  -2.707
  316   1HE   LYS  39          2HE       LYS  39 -11.645 -14.465  -0.160
  317   2HE   LYS  39          3HE       LYS  39 -13.269 -13.951  -0.613
  318   1HZ   LYS  39          1HZ       LYS  39 -13.233 -15.781  -2.288
  319   2HZ   LYS  39          2HZ       LYS  39 -13.218 -16.304  -0.681
  320   3HZ   LYS  39          3HZ       LYS  39 -11.793 -16.330  -1.591
  321    H    MET  40           HN       MET  40  -6.108 -11.086  -1.167
  322    HA   MET  40           HA       MET  40  -5.310 -13.897  -0.997
  323   1HB   MET  40          2HB       MET  40  -3.768 -11.899  -2.658
  324   2HB   MET  40          3HB       MET  40  -3.463 -13.624  -2.507
  325   1HG   MET  40          2HG       MET  40  -5.456 -14.151  -3.716
  326   2HG   MET  40          3HG       MET  40  -5.957 -12.460  -3.718
  327   1HE   MET  40          1HE       MET  40  -5.698 -11.121  -5.987
  328   2HE   MET  40          2HE       MET  40  -5.227 -12.142  -7.344
  329   3HE   MET  40          3HE       MET  40  -6.437 -12.708  -6.193
  330    H    ASN  41           HN       ASN  41  -2.505 -13.287  -0.924
  331    HA   ASN  41           HA       ASN  41  -2.374 -12.214   1.784
  332   1HB   ASN  41          2HB       ASN  41  -1.284 -14.387   1.223
  333   2HB   ASN  41          3HB       ASN  41  -0.192 -13.522   0.145
  334   1HD2  ASN  41          1HD2      ASN  41   1.340 -12.105   1.029
  335   2HD2  ASN  41          2HD2      ASN  41   1.822 -12.218   2.684
  336    H    THR  42           HN       THR  42  -1.450 -11.387  -1.472
  337    HA   THR  42           HA       THR  42   0.115  -9.124  -0.452
  338    HB   THR  42           HB       THR  42   0.355  -8.986  -3.184
  339    HG1  THR  42           1HG      THR  42   1.080 -11.493  -3.216
  340   1HG2  THR  42          1HG2      THR  42   1.990  -9.838  -0.908
  341   2HG2  THR  42          2HG2      THR  42   2.378  -8.741  -2.236
  342   3HG2  THR  42          3HG2      THR  42   2.524 -10.486  -2.460
  343    H    HIS  43           HN       HIS  43  -0.353  -7.075  -0.906
  344    HA   HIS  43           HA       HIS  43  -2.593  -6.318  -2.603
  345   1HB   HIS  43          2HB       HIS  43  -3.377  -4.874  -0.546
  346   2HB   HIS  43          3HB       HIS  43  -3.886  -6.557  -0.660
  347    HD1  HIS  43           1HD      HIS  43  -2.203  -8.250   0.644
  348    HD2  HIS  43           2HD      HIS  43  -2.165  -4.270   1.819
  349    HE1  HIS  43           1HE      HIS  43  -1.100  -8.211   2.877
  350    HE2  HIS  43           2HE      HIS  43  -0.974  -5.790   3.522
  351    H    SER  44           HN       SER  44  -2.811  -3.694  -2.033
  352    HA   SER  44           HA       SER  44  -0.240  -2.562  -1.447
  353   1HB   SER  44          2HB       SER  44   0.101  -1.397  -3.561
  354   2HB   SER  44          3HB       SER  44   0.129  -3.150  -3.785
  355    HG   SER  44           HG       SER  44  -2.361  -2.487  -4.119
  356    H    CYS  45           HN       CYS  45  -1.068  -0.144  -3.108
  357    HA   CYS  45           HA       CYS  45  -2.837   0.958  -1.056
  358   1HB   CYS  45          2HB       CYS  45  -0.479   1.894  -2.075
  359   2HB   CYS  45          3HB       CYS  45  -1.665   2.809  -3.004
  360    H    ASP  46           HN       ASP  46  -4.275   2.793  -1.854
  361    HA   ASP  46           HA       ASP  46  -5.332   2.443  -4.531
  362   1HB   ASP  46          2HB       ASP  46  -6.454   0.781  -2.858
  363   2HB   ASP  46          3HB       ASP  46  -7.303   2.213  -2.281
  364    H    CYS  47           HN       CYS  47  -4.022   4.601  -3.139
  365    HA   CYS  47           HA       CYS  47  -5.767   6.570  -2.185
  366   1HB   CYS  47          2HB       CYS  47  -3.559   7.565  -3.855
  367   2HB   CYS  47          3HB       CYS  47  -3.947   7.927  -2.178
  368    H    LYS  48           HN       LYS  48  -5.133   5.388  -5.331
  369    HA   LYS  48           HA       LYS  48  -7.061   7.299  -6.456
  370   1HB   LYS  48          2HB       LYS  48  -4.650   7.858  -7.047
  371   2HB   LYS  48          3HB       LYS  48  -4.619   6.352  -7.953
  372   1HG   LYS  48          2HG       LYS  48  -6.879   8.113  -8.580
  373   2HG   LYS  48          3HG       LYS  48  -5.288   8.764  -8.985
  374   1HD   LYS  48          2HD       LYS  48  -5.509   5.989  -9.756
  375   2HD   LYS  48          3HD       LYS  48  -6.798   6.954 -10.479
  376   1HE   LYS  48          2HE       LYS  48  -5.241   7.367 -12.056
  377   2HE   LYS  48          3HE       LYS  48  -4.690   8.579 -10.902
  378   1HZ   LYS  48          1HZ       LYS  48  -3.316   6.323 -11.868
  379   2HZ   LYS  48          2HZ       LYS  48  -3.505   6.164 -10.195
  380   3HZ   LYS  48          3HZ       LYS  48  -2.754   7.538 -10.834
  381    H    SER  49           HN       SER  49  -8.549   6.436  -7.752
  382    HA   SER  49           HA       SER  49  -9.273   3.811  -7.690
  383   1HB   SER  49          2HB       SER  49 -10.211   6.088  -8.960
  384   2HB   SER  49          3HB       SER  49  -9.887   4.980 -10.293
  385    HG   SER  49           HG       SER  49 -12.027   4.830  -9.299
  386    H    CYS  50           HN       CYS  50  -7.627   2.341  -7.954
  387    HA   CYS  50           HA       CYS  50  -6.872   1.781 -10.705
  388   1HB   CYS  50          2HB       CYS  50  -4.484   1.603 -10.195
  389   2HB   CYS  50          3HB       CYS  50  -5.062   3.240  -9.904
  Start of MODEL   21
    1   1H    ASN   1          1H        ASN   1   5.569  10.461 -10.477
    2   2H    ASN   1          2H        ASN   1   5.820  12.133 -10.529
    3   3H    ASN   1          3H        ASN   1   4.854  11.388 -11.699
    4    HA   ASN   1           HA       ASN   1   3.271  10.736  -9.958
    5   1HB   ASN   1          2HB       ASN   1   5.334  11.169  -8.275
    6   2HB   ASN   1          3HB       ASN   1   4.491  12.705  -8.103
    7   1HD2  ASN   1          1HD2      ASN   1   4.840   9.898  -6.651
    8   2HD2  ASN   1          2HD2      ASN   1   3.265   9.665  -5.980
    9    H    LEU   2           HN       LEU   2   1.525  12.191  -9.327
   10    HA   LEU   2           HA       LEU   2   1.738  14.954 -10.214
   11   1HB   LEU   2          2HB       LEU   2   0.763  13.006 -11.948
   12   2HB   LEU   2          3HB       LEU   2  -0.678  13.752 -11.286
   13    HG   LEU   2           HG       LEU   2   0.680  15.974 -11.917
   14   1HD1  LEU   2          1HD1      LEU   2   2.122  15.796 -13.677
   15   2HD1  LEU   2          2HD1      LEU   2   2.475  14.282 -12.845
   16   3HD1  LEU   2          3HD1      LEU   2   1.412  14.287 -14.251
   17   1HD2  LEU   2          1HD2      LEU   2  -1.463  15.822 -12.740
   18   2HD2  LEU   2          2HD2      LEU   2  -0.519  15.702 -14.226
   19   3HD2  LEU   2          3HD2      LEU   2  -1.182  14.247 -13.482
   20    H    MET   3           HN       MET   3  -0.718  12.522  -9.321
   21    HA   MET   3           HA       MET   3  -1.932  14.502  -7.533
   22   1HB   MET   3          2HB       MET   3  -3.665  12.437  -7.449
   23   2HB   MET   3          3HB       MET   3  -3.744  13.724  -8.644
   24   1HG   MET   3          2HG       MET   3  -2.001  11.480  -9.366
   25   2HG   MET   3          3HG       MET   3  -3.710  11.077  -9.211
   26   1HE   MET   3          1HE       MET   3  -1.688  12.149 -12.703
   27   2HE   MET   3          2HE       MET   3  -1.607  10.962 -11.402
   28   3HE   MET   3          3HE       MET   3  -2.885  10.857 -12.611
   29    H    LYS   4           HN       LYS   4  -1.978  10.967  -7.271
   30    HA   LYS   4           HA       LYS   4  -0.588  11.191  -4.690
   31   1HB   LYS   4          2HB       LYS   4  -2.660   9.128  -4.733
   32   2HB   LYS   4          3HB       LYS   4  -2.283  10.317  -3.495
   33   1HG   LYS   4          2HG       LYS   4  -4.125  11.414  -4.034
   34   2HG   LYS   4          3HG       LYS   4  -3.448  11.729  -5.632
   35   1HD   LYS   4          2HD       LYS   4  -4.398   9.683  -6.487
   36   2HD   LYS   4          3HD       LYS   4  -4.963   9.233  -4.878
   37   1HE   LYS   4          2HE       LYS   4  -6.878  10.096  -5.836
   38   2HE   LYS   4          3HE       LYS   4  -6.235  11.495  -4.976
   39   1HZ   LYS   4          1HZ       LYS   4  -5.545  12.482  -6.928
   40   2HZ   LYS   4          2HZ       LYS   4  -6.999  11.761  -7.402
   41   3HZ   LYS   4          3HZ       LYS   4  -5.525  11.032  -7.798
   42    H    ARG   5           HN       ARG   5  -1.556   9.195  -7.411
   43    HA   ARG   5           HA       ARG   5  -0.690   7.310  -8.334
   44   1HB   ARG   5          2HB       ARG   5   1.311   8.731  -8.508
   45   2HB   ARG   5          3HB       ARG   5   1.823   8.203  -6.910
   46   1HG   ARG   5          2HG       ARG   5   2.447   6.127  -7.640
   47   2HG   ARG   5          3HG       ARG   5   1.317   6.144  -8.996
   48   1HD   ARG   5          2HD       ARG   5   3.923   7.638  -8.754
   49   2HD   ARG   5          3HD       ARG   5   3.536   6.330  -9.871
   50    HE   ARG   5           HE       ARG   5   2.200   8.954 -10.000
   51   1HH1  ARG   5          2HH1      ARG   5   3.851   6.282 -11.506
   52   2HH1  ARG   5          1HH1      ARG   5   3.653   6.898 -13.113
   53   1HH2  ARG   5          2HH2      ARG   5   1.935   9.774 -12.110
   54   2HH2  ARG   5          1HH2      ARG   5   2.565   8.885 -13.457
   55    H    CYS   6           HN       CYS   6  -2.066   5.979  -7.050
   56    HA   CYS   6           HA       CYS   6  -1.482   4.982  -4.513
   57   1HB   CYS   6          2HB       CYS   6  -2.896   2.969  -5.371
   58   2HB   CYS   6          3HB       CYS   6  -3.651   4.553  -5.238
   59    H    THR   7           HN       THR   7  -0.233   3.348  -3.736
   60    HA   THR   7           HA       THR   7   1.409   1.785  -3.627
   61    HB   THR   7           HB       THR   7   1.091  -0.130  -4.818
   62    HG1  THR   7           1HG      THR   7   0.759  -0.167  -7.059
   63   1HG2  THR   7          1HG2      THR   7  -1.189  -0.437  -5.378
   64   2HG2  THR   7          2HG2      THR   7  -1.390   1.263  -5.801
   65   3HG2  THR   7          3HG2      THR   7  -1.165   0.795  -4.116
   66    H    ARG   8           HN       ARG   8   3.405   0.930  -4.651
   67    HA   ARG   8           HA       ARG   8   4.611   2.968  -6.392
   68   1HB   ARG   8          2HB       ARG   8   6.568   1.200  -5.243
   69   2HB   ARG   8          3HB       ARG   8   6.440   2.947  -5.105
   70   1HG   ARG   8          2HG       ARG   8   4.482   1.870  -3.404
   71   2HG   ARG   8          3HG       ARG   8   5.962   0.945  -3.137
   72   1HD   ARG   8          2HD       ARG   8   5.669   3.940  -3.046
   73   2HD   ARG   8          3HD       ARG   8   5.879   2.868  -1.673
   74    HE   ARG   8           HE       ARG   8   7.919   3.798  -3.473
   75   1HH1  ARG   8          2HH1      ARG   8   7.019   1.332  -1.181
   76   2HH1  ARG   8          1HH1      ARG   8   8.654   0.880  -0.832
   77   1HH2  ARG   8          2HH2      ARG   8  10.072   3.208  -3.022
   78   2HH2  ARG   8          1HH2      ARG   8  10.390   1.944  -1.880
   79    H    GLY   9           HN       GLY   9   2.948   0.645  -6.998
   80   1HA   GLY   9          1HA       GLY   9   3.281  -0.345  -9.274
   81   2HA   GLY   9          2HA       GLY   9   4.822  -0.923  -8.648
   82    H    PHE  10           HN       PHE  10   2.182  -0.841  -6.473
   83    HA   PHE  10           HA       PHE  10   0.953  -2.436  -5.420
   84   1HB   PHE  10          2HB       PHE  10  -0.040  -2.864  -7.597
   85   2HB   PHE  10          3HB       PHE  10   1.325  -3.876  -8.048
   86    HD1  PHE  10           1HD      PHE  10  -1.133  -3.670  -5.251
   87    HD2  PHE  10           2HD      PHE  10   0.941  -6.127  -8.032
   88    HE1  PHE  10           1HE      PHE  10  -2.317  -5.644  -4.380
   89    HE2  PHE  10           2HE      PHE  10  -0.237  -8.108  -7.169
   90    HZ   PHE  10           HZ       PHE  10  -1.869  -7.868  -5.340
   91    H    ARG  11           HN       ARG  11   2.580  -2.831  -3.837
   92    HA   ARG  11           HA       ARG  11   3.594  -5.500  -3.970
   93   1HB   ARG  11          2HB       ARG  11   5.971  -4.914  -3.657
   94   2HB   ARG  11          3HB       ARG  11   5.343  -4.397  -5.213
   95   1HG   ARG  11          2HG       ARG  11   6.088  -2.356  -4.796
   96   2HG   ARG  11          3HG       ARG  11   4.956  -2.242  -3.446
   97   1HD   ARG  11          2HD       ARG  11   6.605  -2.367  -1.965
   98   2HD   ARG  11          3HD       ARG  11   7.240  -3.828  -2.723
   99    HE   ARG  11           HE       ARG  11   7.887  -1.224  -3.901
  100   1HH1  ARG  11          2HH1      ARG  11   8.892  -4.087  -2.186
  101   2HH1  ARG  11          1HH1      ARG  11  10.583  -3.785  -2.414
  102   1HH2  ARG  11          2HH2      ARG  11  10.112  -0.819  -4.203
  103   2HH2  ARG  11          1HH2      ARG  11  11.276  -1.926  -3.556
  104    H    LYS  12           HN       LYS  12   1.849  -4.742  -2.142
  105    HA   LYS  12           HA       LYS  12   3.434  -4.425   0.325
  106   1HB   LYS  12          2HB       LYS  12   0.517  -3.757  -0.178
  107   2HB   LYS  12          3HB       LYS  12   1.284  -3.704   1.399
  108   1HG   LYS  12          2HG       LYS  12   1.100  -1.476   0.439
  109   2HG   LYS  12          3HG       LYS  12   2.789  -1.944   0.619
  110   1HD   LYS  12          2HD       LYS  12   2.948  -2.433  -1.736
  111   2HD   LYS  12          3HD       LYS  12   1.222  -2.145  -1.946
  112   1HE   LYS  12          2HE       LYS  12   3.141  -0.047  -0.960
  113   2HE   LYS  12          3HE       LYS  12   2.741  -0.267  -2.662
  114   1HZ   LYS  12          1HZ       LYS  12   0.315  -0.086  -1.730
  115   2HZ   LYS  12          2HZ       LYS  12   1.218   1.301  -2.075
  116   3HZ   LYS  12          3HZ       LYS  12   1.080   0.758  -0.479
  117    H    LEU  13           HN       LEU  13   2.918  -5.939   2.087
  118    HA   LEU  13           HA       LEU  13   1.220  -8.198   1.279
  119   1HB   LEU  13          2HB       LEU  13   3.126  -9.706   2.174
  120   2HB   LEU  13          3HB       LEU  13   3.206  -9.077   0.538
  121    HG   LEU  13           HG       LEU  13   4.547  -7.130   1.832
  122   1HD1  LEU  13          1HD1      LEU  13   4.284  -9.120   3.784
  123   2HD1  LEU  13          2HD1      LEU  13   5.947  -9.227   3.205
  124   3HD1  LEU  13          3HD1      LEU  13   5.327  -7.698   3.829
  125   1HD2  LEU  13          1HD2      LEU  13   6.030  -9.622   1.118
  126   2HD2  LEU  13          2HD2      LEU  13   5.142  -8.742  -0.125
  127   3HD2  LEU  13          3HD2      LEU  13   6.428  -7.938   0.775
  128    H    GLY  14           HN       GLY  14   0.554  -9.623   2.917
  129   1HA   GLY  14          1HA       GLY  14   0.565 -10.341   5.228
  130   2HA   GLY  14          2HA       GLY  14   1.004  -8.703   5.684
  131    H    LYS  15           HN       LYS  15  -1.514  -9.618   3.387
  132    HA   LYS  15           HA       LYS  15  -3.648  -8.769   3.244
  133   1HB   LYS  15          2HB       LYS  15  -3.420 -10.750   5.407
  134   2HB   LYS  15          3HB       LYS  15  -4.891  -9.787   5.451
  135   1HG   LYS  15          2HG       LYS  15  -5.172 -10.407   2.990
  136   2HG   LYS  15          3HG       LYS  15  -3.920 -11.618   3.281
  137   1HD   LYS  15          2HD       LYS  15  -5.610 -12.040   5.385
  138   2HD   LYS  15          3HD       LYS  15  -6.733 -11.578   4.104
  139   1HE   LYS  15          2HE       LYS  15  -5.113 -13.299   2.777
  140   2HE   LYS  15          3HE       LYS  15  -5.079 -13.992   4.396
  141   1HZ   LYS  15          1HZ       LYS  15  -7.518 -14.006   4.368
  142   2HZ   LYS  15          2HZ       LYS  15  -6.864 -14.954   3.129
  143   3HZ   LYS  15          3HZ       LYS  15  -7.504 -13.428   2.778
  144    H    CYS  16           HN       CYS  16  -3.331  -6.559   3.458
  145    HA   CYS  16           HA       CYS  16  -3.417  -4.488   4.363
  146   1HB   CYS  16          2HB       CYS  16  -5.842  -5.619   4.742
  147   2HB   CYS  16          3HB       CYS  16  -5.418  -5.235   6.409
  148    H    THR  17           HN       THR  17  -1.283  -5.540   5.234
  149    HA   THR  17           HA       THR  17  -1.108  -5.733   8.100
  150    HB   THR  17           HB       THR  17   0.623  -6.236   5.787
  151    HG1  THR  17           1HG      THR  17   1.181  -7.416   8.221
  152   1HG2  THR  17          1HG2      THR  17   2.128  -4.621   6.562
  153   2HG2  THR  17          2HG2      THR  17   2.704  -6.107   7.318
  154   3HG2  THR  17          3HG2      THR  17   1.760  -4.950   8.256
  155    H    THR  18           HN       THR  18   0.162  -4.326   9.429
  156    HA   THR  18           HA       THR  18  -0.364  -1.627   9.182
  157    HB   THR  18           HB       THR  18   1.687  -3.142  10.763
  158    HG1  THR  18           1HG      THR  18  -0.077  -1.390  11.968
  159   1HG2  THR  18          1HG2      THR  18   1.351  -0.182  11.106
  160   2HG2  THR  18          2HG2      THR  18   2.540  -0.825   9.972
  161   3HG2  THR  18          3HG2      THR  18   2.646  -1.231  11.686
  162    H    LEU  19           HN       LEU  19   2.801  -3.185   8.640
  163    HA   LEU  19           HA       LEU  19   4.190  -1.014   7.697
  164   1HB   LEU  19          2HB       LEU  19   4.555  -3.822   7.772
  165   2HB   LEU  19          3HB       LEU  19   4.950  -3.294   6.148
  166    HG   LEU  19           HG       LEU  19   6.911  -3.386   7.661
  167   1HD1  LEU  19          1HD1      LEU  19   6.035  -0.951   6.229
  168   2HD1  LEU  19          2HD1      LEU  19   7.449  -0.802   7.274
  169   3HD1  LEU  19          3HD1      LEU  19   7.441  -1.983   5.965
  170   1HD2  LEU  19          1HD2      LEU  19   5.137  -1.881   9.363
  171   2HD2  LEU  19          2HD2      LEU  19   6.667  -2.669   9.750
  172   3HD2  LEU  19          3HD2      LEU  19   6.659  -1.022   9.117
  173    H    GLU  20           HN       GLU  20   1.665  -2.750   6.104
  174    HA   GLU  20           HA       GLU  20   2.375  -1.769   3.484
  175   1HB   GLU  20          2HB       GLU  20  -0.254  -3.021   4.224
  176   2HB   GLU  20          3HB       GLU  20   0.533  -2.988   2.653
  177   1HG   GLU  20          2HG       GLU  20   1.129  -4.675   5.032
  178   2HG   GLU  20          3HG       GLU  20   0.872  -5.155   3.356
  179    H    GLU  21           HN       GLU  21  -0.217  -1.181   5.849
  180    HA   GLU  21           HA       GLU  21  -1.511   0.846   4.365
  181   1HB   GLU  21          2HB       GLU  21  -2.666   1.405   6.397
  182   2HB   GLU  21          3HB       GLU  21  -2.510  -0.345   6.322
  183   1HG   GLU  21          2HG       GLU  21  -1.193  -0.440   8.139
  184   2HG   GLU  21          3HG       GLU  21  -0.363   1.066   7.751
  185    H    GLU  22           HN       GLU  22   1.282   0.769   6.427
  186    HA   GLU  22           HA       GLU  22   1.522   3.612   6.723
  187   1HB   GLU  22          2HB       GLU  22   2.940   1.207   7.630
  188   2HB   GLU  22          3HB       GLU  22   4.003   2.562   7.278
  189   1HG   GLU  22          2HG       GLU  22   1.765   3.495   8.775
  190   2HG   GLU  22          3HG       GLU  22   2.469   2.099   9.588
  191    H    LYS  23           HN       LYS  23   2.955   1.098   4.672
  192    HA   LYS  23           HA       LYS  23   4.961   2.512   3.407
  193   1HB   LYS  23          2HB       LYS  23   4.825   0.255   2.805
  194   2HB   LYS  23          3HB       LYS  23   3.095   0.337   2.505
  195   1HG   LYS  23          2HG       LYS  23   3.473   0.636   0.337
  196   2HG   LYS  23          3HG       LYS  23   4.446   2.070   0.687
  197   1HD   LYS  23          2HD       LYS  23   5.913   0.666  -0.426
  198   2HD   LYS  23          3HD       LYS  23   6.311   0.404   1.266
  199   1HE   LYS  23          2HE       LYS  23   4.431  -1.487   0.929
  200   2HE   LYS  23          3HE       LYS  23   5.085  -1.419  -0.707
  201   1HZ   LYS  23          1HZ       LYS  23   7.285  -1.821   0.182
  202   2HZ   LYS  23          2HZ       LYS  23   6.233  -3.055   0.661
  203   3HZ   LYS  23          3HZ       LYS  23   6.679  -1.850   1.762
  204    H    CYS  24           HN       CYS  24   1.608   2.161   2.373
  205    HA   CYS  24           HA       CYS  24   1.718   4.094   0.323
  206   1HB   CYS  24          2HB       CYS  24  -0.050   2.741  -0.034
  207   2HB   CYS  24          3HB       CYS  24  -0.312   2.443   1.673
  208    H    LYS  25           HN       LYS  25   1.066   4.268   3.741
  209    HA   LYS  25           HA       LYS  25  -0.142   6.850   3.713
  210   1HB   LYS  25          2HB       LYS  25  -0.236   5.020   5.537
  211   2HB   LYS  25          3HB       LYS  25   1.287   5.698   6.091
  212   1HG   LYS  25          2HG       LYS  25  -0.199   6.842   7.393
  213   2HG   LYS  25          3HG       LYS  25  -0.037   7.951   6.030
  214   1HD   LYS  25          2HD       LYS  25  -2.146   5.839   5.984
  215   2HD   LYS  25          3HD       LYS  25  -2.405   7.312   6.924
  216   1HE   LYS  25          2HE       LYS  25  -1.612   8.464   4.685
  217   2HE   LYS  25          3HE       LYS  25  -2.165   6.949   3.976
  218   1HZ   LYS  25          1HZ       LYS  25  -4.283   7.405   5.345
  219   2HZ   LYS  25          2HZ       LYS  25  -4.040   8.264   3.908
  220   3HZ   LYS  25          3HZ       LYS  25  -3.727   9.003   5.395
  221    H    THR  26           HN       THR  26   2.875   6.085   5.407
  222    HA   THR  26           HA       THR  26   3.885   8.612   5.568
  223    HB   THR  26           HB       THR  26   6.108   7.618   5.856
  224    HG1  THR  26           1HG      THR  26   6.361   5.946   4.533
  225   1HG2  THR  26          1HG2      THR  26   4.258   5.689   7.182
  226   2HG2  THR  26          2HG2      THR  26   4.098   7.409   7.543
  227   3HG2  THR  26          3HG2      THR  26   5.625   6.581   7.851
  228    H    LEU  27           HN       LEU  27   4.052   6.469   2.754
  229    HA   LEU  27           HA       LEU  27   5.952   8.211   1.448
  230   1HB   LEU  27          2HB       LEU  27   4.600   5.648   0.740
  231   2HB   LEU  27          3HB       LEU  27   5.311   6.621  -0.533
  232    HG   LEU  27           HG       LEU  27   7.414   6.567   1.072
  233   1HD1  LEU  27          1HD1      LEU  27   7.643   4.534   2.292
  234   2HD1  LEU  27          2HD1      LEU  27   6.143   5.306   2.812
  235   3HD1  LEU  27          3HD1      LEU  27   6.090   3.938   1.698
  236   1HD2  LEU  27          1HD2      LEU  27   8.343   4.988  -0.343
  237   2HD2  LEU  27          2HD2      LEU  27   6.840   4.072  -0.474
  238   3HD2  LEU  27          3HD2      LEU  27   7.006   5.623  -1.301
  239    H    TYR  28           HN       TYR  28   2.486   7.579   1.361
  240    HA   TYR  28           HA       TYR  28   2.232   9.771  -0.607
  241   1HB   TYR  28          2HB       TYR  28   0.024   7.796  -0.241
  242   2HB   TYR  28          3HB       TYR  28   0.462   8.725  -1.663
  243    HD1  TYR  28           1HD      TYR  28  -0.282   5.779  -1.461
  244    HD2  TYR  28           2HD      TYR  28   3.489   7.745  -1.523
  245    HE1  TYR  28           1HE      TYR  28   0.748   3.761  -2.396
  246    HE2  TYR  28           2HE      TYR  28   4.526   5.731  -2.456
  247    HH   TYR  28           HH       TYR  28   3.818   3.731  -3.757
  248    HA   PRO  29           HA       PRO  29  -0.012  11.412   2.988
  249   1HB   PRO  29          2HB       PRO  29   0.363  14.007   2.470
  250   2HB   PRO  29          3HB       PRO  29   1.670  12.999   3.101
  251   1HG   PRO  29          2HG       PRO  29   1.184  13.947   0.311
  252   2HG   PRO  29          3HG       PRO  29   2.712  13.794   1.192
  253   1HD   PRO  29          2HD       PRO  29   1.741  11.957  -0.647
  254   2HD   PRO  29          3HD       PRO  29   2.962  11.611   0.592
  255    H    ARG  30           HN       ARG  30  -2.030  10.619   2.148
  256    HA   ARG  30           HA       ARG  30  -3.625  12.704   0.847
  257   1HB   ARG  30          2HB       ARG  30  -2.919  10.093  -0.255
  258   2HB   ARG  30          3HB       ARG  30  -4.653  10.376  -0.219
  259   1HG   ARG  30          2HG       ARG  30  -2.645  12.246  -1.448
  260   2HG   ARG  30          3HG       ARG  30  -3.579  11.039  -2.342
  261   1HD   ARG  30          2HD       ARG  30  -5.649  12.132  -1.428
  262   2HD   ARG  30          3HD       ARG  30  -4.617  13.428  -0.827
  263    HE   ARG  30           HE       ARG  30  -4.347  12.867  -3.649
  264   1HH1  ARG  30          2HH1      ARG  30  -5.977  14.736  -1.202
  265   2HH1  ARG  30          1HH1      ARG  30  -6.435  16.002  -2.290
  266   1HH2  ARG  30          2HH2      ARG  30  -4.948  14.529  -5.093
  267   2HH2  ARG  30          1HH2      ARG  30  -5.853  15.883  -4.503
  268    H    GLY  31           HN       GLY  31  -5.998  11.568   0.615
  269   1HA   GLY  31          1HA       GLY  31  -6.714  10.811   3.370
  270   2HA   GLY  31          2HA       GLY  31  -7.782  11.642   2.246
  271    H    GLN  32           HN       GLN  32  -7.595  10.197  -0.022
  272    HA   GLN  32           HA       GLN  32  -8.997   7.763   0.674
  273   1HB   GLN  32          2HB       GLN  32  -8.595   9.393  -1.772
  274   2HB   GLN  32          3HB       GLN  32  -8.834   7.669  -2.027
  275   1HG   GLN  32          2HG       GLN  32 -10.695   9.490  -0.515
  276   2HG   GLN  32          3HG       GLN  32 -10.921   8.933  -2.171
  277   1HE2  GLN  32          1HE2      GLN  32 -12.397   8.551   0.454
  278   2HE2  GLN  32          2HE2      GLN  32 -12.655   6.845   0.543
  279    H    CYS  33           HN       CYS  33  -5.994   8.396   0.883
  280    HA   CYS  33           HA       CYS  33  -4.910   6.082  -0.570
  281   1HB   CYS  33          2HB       CYS  33  -3.917   8.415  -0.808
  282   2HB   CYS  33          3HB       CYS  33  -3.383   8.264   0.856
  283    H    THR  34           HN       THR  34  -4.731   4.251   0.605
  284    HA   THR  34           HA       THR  34  -3.464   4.240   3.154
  285    HB   THR  34           HB       THR  34  -5.684   5.051   3.824
  286    HG1  THR  34           1HG      THR  34  -5.945   2.662   5.018
  287   1HG2  THR  34          1HG2      THR  34  -7.264   4.201   2.371
  288   2HG2  THR  34          2HG2      THR  34  -7.507   3.172   3.784
  289   3HG2  THR  34          3HG2      THR  34  -6.582   2.575   2.406
  290    H    CYS  35           HN       CYS  35  -5.243   1.716   3.779
  291    HA   CYS  35           HA       CYS  35  -3.582  -0.051   2.145
  292   1HB   CYS  35          2HB       CYS  35  -3.366  -0.525   4.466
  293   2HB   CYS  35          3HB       CYS  35  -5.109  -0.506   4.706
  294    H    SER  36           HN       SER  36  -4.365  -1.521   0.762
  295    HA   SER  36           HA       SER  36  -7.264  -1.900   0.569
  296   1HB   SER  36          2HB       SER  36  -6.129  -1.874  -2.070
  297   2HB   SER  36          3HB       SER  36  -7.418  -0.866  -1.414
  298    HG   SER  36           HG       SER  36  -5.429   0.218  -2.188
  299    H    ASP  37           HN       ASP  37  -7.418  -3.992   1.069
  300    HA   ASP  37           HA       ASP  37  -5.825  -5.904  -0.502
  301   1HB   ASP  37          2HB       ASP  37  -4.779  -6.135   1.557
  302   2HB   ASP  37          3HB       ASP  37  -6.252  -5.808   2.465
  303    H    SER  38           HN       SER  38  -7.163  -7.005  -1.747
  304    HA   SER  38           HA       SER  38  -9.546  -8.215  -0.612
  305   1HB   SER  38          2HB       SER  38 -10.278  -5.983  -1.480
  306   2HB   SER  38          3HB       SER  38  -9.757  -6.488  -3.087
  307    HG   SER  38           HG       SER  38 -12.074  -6.807  -2.398
  308    H    LYS  39           HN       LYS  39  -6.843  -8.750  -2.049
  309    HA   LYS  39           HA       LYS  39  -7.893 -10.574  -4.107
  310   1HB   LYS  39          2HB       LYS  39  -5.051  -9.600  -3.801
  311   2HB   LYS  39          3HB       LYS  39  -5.725 -10.496  -5.156
  312   1HG   LYS  39          2HG       LYS  39  -7.351  -8.295  -5.035
  313   2HG   LYS  39          3HG       LYS  39  -5.775  -7.640  -4.585
  314   1HD   LYS  39          2HD       LYS  39  -5.029  -9.137  -6.670
  315   2HD   LYS  39          3HD       LYS  39  -6.695  -8.806  -7.151
  316   1HE   LYS  39          2HE       LYS  39  -4.713  -6.682  -6.343
  317   2HE   LYS  39          3HE       LYS  39  -5.012  -7.167  -8.011
  318   1HZ   LYS  39          1HZ       LYS  39  -6.270  -5.175  -7.291
  319   2HZ   LYS  39          2HZ       LYS  39  -7.113  -6.138  -6.186
  320   3HZ   LYS  39          3HZ       LYS  39  -7.259  -6.432  -7.845
  321    H    MET  40           HN       MET  40  -4.872 -10.560  -2.238
  322    HA   MET  40           HA       MET  40  -5.591 -13.041  -0.918
  323   1HB   MET  40          2HB       MET  40  -4.204 -13.146  -3.328
  324   2HB   MET  40          3HB       MET  40  -2.946 -13.297  -2.111
  325   1HG   MET  40          2HG       MET  40  -4.599 -15.064  -1.090
  326   2HG   MET  40          3HG       MET  40  -5.209 -15.118  -2.743
  327   1HE   MET  40          1HE       MET  40  -2.578 -16.653  -4.834
  328   2HE   MET  40          2HE       MET  40  -4.131 -17.254  -4.253
  329   3HE   MET  40          3HE       MET  40  -3.960 -15.562  -4.723
  330    H    ASN  41           HN       ASN  41  -2.735 -13.583  -0.354
  331    HA   ASN  41           HA       ASN  41  -2.465 -12.115   2.013
  332   1HB   ASN  41          2HB       ASN  41  -1.384 -14.305   1.607
  333   2HB   ASN  41          3HB       ASN  41  -0.296 -13.539   0.454
  334   1HD2  ASN  41          1HD2      ASN  41   1.639 -13.413   1.315
  335   2HD2  ASN  41          2HD2      ASN  41   2.007 -12.910   2.926
  336    H    THR  42           HN       THR  42  -1.691 -11.297  -1.230
  337    HA   THR  42           HA       THR  42   0.041  -9.099  -0.336
  338    HB   THR  42           HB       THR  42   0.119  -8.923  -3.046
  339    HG1  THR  42           1HG      THR  42   0.561 -11.348  -3.475
  340   1HG2  THR  42          1HG2      THR  42   2.241  -8.970  -2.353
  341   2HG2  THR  42          2HG2      THR  42   2.147 -10.728  -2.459
  342   3HG2  THR  42          3HG2      THR  42   1.826  -9.920  -0.926
  343    H    HIS  43           HN       HIS  43  -0.421  -7.028  -0.712
  344    HA   HIS  43           HA       HIS  43  -2.756  -6.202  -2.244
  345   1HB   HIS  43          2HB       HIS  43  -3.437  -4.784  -0.188
  346   2HB   HIS  43          3HB       HIS  43  -3.865  -6.492  -0.175
  347    HD1  HIS  43           1HD      HIS  43  -1.948  -8.014   1.073
  348    HD2  HIS  43           2HD      HIS  43  -2.149  -3.992   2.068
  349    HE1  HIS  43           1HE      HIS  43  -0.754  -7.792   3.249
  350    HE2  HIS  43           2HE      HIS  43  -0.960  -5.373   3.885
  351    H    SER  44           HN       SER  44  -2.912  -3.615  -1.700
  352    HA   SER  44           HA       SER  44  -0.339  -2.438  -1.225
  353   1HB   SER  44          2HB       SER  44  -0.107  -1.286  -3.366
  354   2HB   SER  44          3HB       SER  44  -0.051  -3.041  -3.579
  355    HG   SER  44           HG       SER  44  -2.557  -2.477  -3.827
  356    H    CYS  45           HN       CYS  45  -1.260  -0.013  -2.821
  357    HA   CYS  45           HA       CYS  45  -3.258   0.903  -0.856
  358   1HB   CYS  45          2HB       CYS  45  -1.025   1.988  -0.688
  359   2HB   CYS  45          3HB       CYS  45  -1.223   2.586  -2.329
  360    H    ASP  46           HN       ASP  46  -4.542   2.877  -1.725
  361    HA   ASP  46           HA       ASP  46  -5.018   2.771  -4.589
  362   1HB   ASP  46          2HB       ASP  46  -6.426   0.971  -3.378
  363   2HB   ASP  46          3HB       ASP  46  -7.379   2.327  -2.783
  364    H    CYS  47           HN       CYS  47  -3.979   4.913  -3.285
  365    HA   CYS  47           HA       CYS  47  -5.835   6.799  -2.315
  366   1HB   CYS  47          2HB       CYS  47  -3.687   7.970  -3.918
  367   2HB   CYS  47          3HB       CYS  47  -4.053   8.186  -2.213
  368    H    LYS  48           HN       LYS  48  -4.913   5.719  -5.434
  369    HA   LYS  48           HA       LYS  48  -6.874   7.526  -6.688
  370   1HB   LYS  48          2HB       LYS  48  -4.158   7.394  -7.228
  371   2HB   LYS  48          3HB       LYS  48  -4.877   6.420  -8.502
  372   1HG   LYS  48          2HG       LYS  48  -6.327   8.888  -8.124
  373   2HG   LYS  48          3HG       LYS  48  -4.615   9.182  -8.446
  374   1HD   LYS  48          2HD       LYS  48  -4.769   8.458 -10.572
  375   2HD   LYS  48          3HD       LYS  48  -5.850   7.130 -10.146
  376   1HE   LYS  48          2HE       LYS  48  -6.589  10.025 -10.546
  377   2HE   LYS  48          3HE       LYS  48  -7.019   8.667 -11.584
  378   1HZ   LYS  48          1HZ       LYS  48  -8.908   8.787 -10.378
  379   2HZ   LYS  48          2HZ       LYS  48  -8.161   9.490  -9.034
  380   3HZ   LYS  48          3HZ       LYS  48  -8.033   7.825  -9.296
  381    H    SER  49           HN       SER  49  -8.373   6.629  -7.983
  382    HA   SER  49           HA       SER  49  -9.209   4.044  -7.702
  383   1HB   SER  49          2HB       SER  49 -10.143   6.206  -9.044
  384   2HB   SER  49          3HB       SER  49  -9.674   5.173 -10.395
  385    HG   SER  49           HG       SER  49 -11.896   4.975  -9.362
  386    H    CYS  50           HN       CYS  50  -7.580   2.517  -7.814
  387    HA   CYS  50           HA       CYS  50  -6.822   1.714 -10.509
  388   1HB   CYS  50          2HB       CYS  50  -4.459   1.500  -9.965
  389   2HB   CYS  50          3HB       CYS  50  -4.977   3.168  -9.738
  Start of MODEL   22
    1   1H    ASN   1          1H        ASN   1  -5.013  13.842 -15.176
    2   2H    ASN   1          2H        ASN   1  -4.394  12.311 -15.537
    3   3H    ASN   1          3H        ASN   1  -4.710  13.408 -16.784
    4    HA   ASN   1           HA       ASN   1  -2.304  13.105 -16.065
    5   1HB   ASN   1          2HB       ASN   1  -3.589  15.846 -16.171
    6   2HB   ASN   1          3HB       ASN   1  -1.883  15.513 -16.451
    7   1HD2  ASN   1          1HD2      ASN   1  -4.002  16.657 -18.176
    8   2HD2  ASN   1          2HD2      ASN   1  -3.983  15.697 -19.613
    9    H    LEU   2           HN       LEU   2  -4.549  14.618 -13.848
   10    HA   LEU   2           HA       LEU   2  -2.397  14.994 -11.886
   11   1HB   LEU   2          2HB       LEU   2  -5.010  16.294 -12.379
   12   2HB   LEU   2          3HB       LEU   2  -4.548  16.100 -10.698
   13    HG   LEU   2           HG       LEU   2  -2.625  17.335 -12.632
   14   1HD1  LEU   2          1HD1      LEU   2  -4.805  18.830 -11.184
   15   2HD1  LEU   2          2HD1      LEU   2  -3.535  19.524 -12.192
   16   3HD1  LEU   2          3HD1      LEU   2  -4.779  18.506 -12.918
   17   1HD2  LEU   2          1HD2      LEU   2  -3.106  17.445  -9.668
   18   2HD2  LEU   2          2HD2      LEU   2  -1.673  16.883 -10.528
   19   3HD2  LEU   2          3HD2      LEU   2  -2.067  18.602 -10.501
   20    H    MET   3           HN       MET   3  -2.139  12.945 -11.067
   21    HA   MET   3           HA       MET   3  -4.480  11.810  -9.682
   22   1HB   MET   3          2HB       MET   3  -2.792   9.681  -9.936
   23   2HB   MET   3          3HB       MET   3  -4.132  10.031 -11.018
   24   1HG   MET   3          2HG       MET   3  -1.606  11.382 -11.669
   25   2HG   MET   3          3HG       MET   3  -1.590   9.626 -11.814
   26   1HE   MET   3          1HE       MET   3  -1.109   9.502 -14.169
   27   2HE   MET   3          2HE       MET   3  -2.488   8.410 -14.040
   28   3HE   MET   3          3HE       MET   3  -2.375   9.532 -15.396
   29    H    LYS   4           HN       LYS   4  -3.222   9.898  -8.166
   30    HA   LYS   4           HA       LYS   4  -1.640  11.565  -6.334
   31   1HB   LYS   4          2HB       LYS   4  -3.232   9.065  -5.738
   32   2HB   LYS   4          3HB       LYS   4  -2.382  10.053  -4.555
   33   1HG   LYS   4          2HG       LYS   4  -4.297  11.133  -4.271
   34   2HG   LYS   4          3HG       LYS   4  -4.024  11.852  -5.859
   35   1HD   LYS   4          2HD       LYS   4  -5.087   9.338  -6.395
   36   2HD   LYS   4          3HD       LYS   4  -6.018   9.932  -5.019
   37   1HE   LYS   4          2HE       LYS   4  -5.505  11.674  -7.402
   38   2HE   LYS   4          3HE       LYS   4  -6.822  10.501  -7.406
   39   1HZ   LYS   4          1HZ       LYS   4  -7.194  12.940  -6.587
   40   2HZ   LYS   4          2HZ       LYS   4  -6.592  12.331  -5.129
   41   3HZ   LYS   4          3HZ       LYS   4  -7.973  11.645  -5.825
   42    H    ARG   5           HN       ARG   5  -1.647   8.207  -5.667
   43    HA   ARG   5           HA       ARG   5   0.572   7.411  -7.232
   44   1HB   ARG   5          2HB       ARG   5   1.192   8.990  -4.945
   45   2HB   ARG   5          3HB       ARG   5   1.710   7.343  -4.615
   46   1HG   ARG   5          2HG       ARG   5   2.961   7.360  -6.755
   47   2HG   ARG   5          3HG       ARG   5   2.522   9.059  -6.951
   48   1HD   ARG   5          2HD       ARG   5   4.084   9.734  -5.503
   49   2HD   ARG   5          3HD       ARG   5   3.659   8.483  -4.336
   50    HE   ARG   5           HE       ARG   5   5.227   7.674  -6.656
   51   1HH1  ARG   5          2HH1      ARG   5   5.132   8.474  -3.264
   52   2HH1  ARG   5          1HH1      ARG   5   6.657   7.731  -2.917
   53   1HH2  ARG   5          2HH2      ARG   5   7.237   6.697  -6.204
   54   2HH2  ARG   5          1HH2      ARG   5   7.853   6.723  -4.586
   55    H    CYS   6           HN       CYS   6  -1.996   6.378  -6.381
   56    HA   CYS   6           HA       CYS   6  -2.027   4.544  -4.356
   57   1HB   CYS   6          2HB       CYS   6  -3.611   3.223  -5.731
   58   2HB   CYS   6          3HB       CYS   6  -3.976   4.943  -5.737
   59    H    THR   7           HN       THR   7  -0.603   3.040  -3.797
   60    HA   THR   7           HA       THR   7   0.875   1.329  -3.869
   61    HB   THR   7           HB       THR   7   0.320  -0.488  -5.105
   62    HG1  THR   7           1HG      THR   7   0.993  -0.094  -7.110
   63   1HG2  THR   7          1HG2      THR   7  -1.826   0.681  -4.323
   64   2HG2  THR   7          2HG2      THR   7  -1.979  -0.592  -5.534
   65   3HG2  THR   7          3HG2      THR   7  -2.057   1.102  -6.019
   66    H    ARG   8           HN       ARG   8   2.894   0.739  -4.588
   67    HA   ARG   8           HA       ARG   8   4.096   2.541  -6.574
   68   1HB   ARG   8          2HB       ARG   8   5.095   1.078  -4.180
   69   2HB   ARG   8          3HB       ARG   8   6.214   1.254  -5.524
   70   1HG   ARG   8          2HG       ARG   8   6.505   3.449  -5.161
   71   2HG   ARG   8          3HG       ARG   8   4.818   3.711  -4.715
   72   1HD   ARG   8          2HD       ARG   8   5.832   4.047  -2.689
   73   2HD   ARG   8          3HD       ARG   8   5.508   2.319  -2.595
   74    HE   ARG   8           HE       ARG   8   8.099   3.601  -2.919
   75   1HH1  ARG   8          2HH1      ARG   8   6.246   0.651  -2.893
   76   2HH1  ARG   8          1HH1      ARG   8   7.627  -0.364  -2.638
   77   1HH2  ARG   8          2HH2      ARG   8   9.920   2.274  -2.584
   78   2HH2  ARG   8          1HH2      ARG   8   9.715   0.558  -2.464
   79    H    GLY   9           HN       GLY   9   2.386   0.375  -7.252
   80   1HA   GLY   9          1HA       GLY   9   2.503  -1.003  -9.190
   81   2HA   GLY   9          2HA       GLY   9   4.222  -1.230  -8.882
   82    H    PHE  10           HN       PHE  10   1.624  -1.443  -6.555
   83    HA   PHE  10           HA       PHE  10   0.864  -3.111  -5.211
   84   1HB   PHE  10          2HB       PHE  10   1.353  -4.415  -7.739
   85   2HB   PHE  10          3HB       PHE  10   1.745  -5.506  -6.414
   86    HD1  PHE  10           1HD      PHE  10  -0.772  -4.541  -8.557
   87    HD2  PHE  10           2HD      PHE  10  -0.105  -5.402  -4.443
   88    HE1  PHE  10           1HE      PHE  10  -3.163  -5.050  -8.280
   89    HE2  PHE  10           2HE      PHE  10  -2.496  -5.915  -4.159
   90    HZ   PHE  10           HZ       PHE  10  -4.027  -5.739  -6.080
   91    H    ARG  11           HN       ARG  11   2.495  -2.369  -3.681
   92    HA   ARG  11           HA       ARG  11   4.620  -4.348  -3.397
   93   1HB   ARG  11          2HB       ARG  11   5.126  -1.831  -4.205
   94   2HB   ARG  11          3HB       ARG  11   5.251  -1.624  -2.469
   95   1HG   ARG  11          2HG       ARG  11   6.694  -3.933  -3.565
   96   2HG   ARG  11          3HG       ARG  11   7.289  -2.346  -4.063
   97   1HD   ARG  11          2HD       ARG  11   6.999  -1.839  -1.491
   98   2HD   ARG  11          3HD       ARG  11   7.203  -3.587  -1.367
   99    HE   ARG  11           HE       ARG  11   9.265  -2.829  -2.949
  100   1HH1  ARG  11          2HH1      ARG  11   8.124  -1.767   0.168
  101   2HH1  ARG  11          1HH1      ARG  11   9.695  -1.305   0.730
  102   1HH2  ARG  11          2HH2      ARG  11  11.338  -2.224  -2.216
  103   2HH2  ARG  11          1HH2      ARG  11  11.523  -1.567  -0.624
  104    H    LYS  12           HN       LYS  12   2.269  -4.564  -1.965
  105    HA   LYS  12           HA       LYS  12   3.309  -4.172   0.748
  106   1HB   LYS  12          2HB       LYS  12   0.447  -3.686  -0.086
  107   2HB   LYS  12          3HB       LYS  12   1.022  -3.696   1.566
  108   1HG   LYS  12          2HG       LYS  12   0.786  -1.421   0.867
  109   2HG   LYS  12          3HG       LYS  12   2.503  -1.783   1.014
  110   1HD   LYS  12          2HD       LYS  12   2.872  -1.563  -1.213
  111   2HD   LYS  12          3HD       LYS  12   1.268  -2.155  -1.647
  112   1HE   LYS  12          2HE       LYS  12   0.288  -0.089  -1.390
  113   2HE   LYS  12          3HE       LYS  12   1.518   0.468  -0.253
  114   1HZ   LYS  12          1HZ       LYS  12   1.687   1.558  -2.418
  115   2HZ   LYS  12          2HZ       LYS  12   1.948   0.063  -3.164
  116   3HZ   LYS  12          3HZ       LYS  12   3.081   0.666  -2.061
  117    H    LEU  13           HN       LEU  13   2.516  -5.769   2.286
  118    HA   LEU  13           HA       LEU  13   1.098  -8.058   1.182
  119   1HB   LEU  13          2HB       LEU  13   3.045  -9.526   2.157
  120   2HB   LEU  13          3HB       LEU  13   3.099  -8.905   0.517
  121    HG   LEU  13           HG       LEU  13   4.292  -6.995   2.306
  122   1HD1  LEU  13          1HD1      LEU  13   4.763  -8.836   3.783
  123   2HD1  LEU  13          2HD1      LEU  13   5.380  -9.803   2.444
  124   3HD1  LEU  13          3HD1      LEU  13   6.250  -8.360   2.963
  125   1HD2  LEU  13          1HD2      LEU  13   4.552  -7.600  -0.252
  126   2HD2  LEU  13          2HD2      LEU  13   5.873  -6.876   0.665
  127   3HD2  LEU  13          3HD2      LEU  13   5.857  -8.614   0.366
  128    H    GLY  14           HN       GLY  14   0.499  -9.677   2.732
  129   1HA   GLY  14          1HA       GLY  14   0.226 -10.516   4.919
  130   2HA   GLY  14          2HA       GLY  14   0.865  -9.010   5.556
  131    H    LYS  15           HN       LYS  15  -1.880  -9.942   3.469
  132    HA   LYS  15           HA       LYS  15  -3.940  -8.803   3.347
  133   1HB   LYS  15          2HB       LYS  15  -3.674 -10.937   5.216
  134   2HB   LYS  15          3HB       LYS  15  -4.856  -9.797   5.848
  135   1HG   LYS  15          2HG       LYS  15  -5.843  -9.920   3.443
  136   2HG   LYS  15          3HG       LYS  15  -4.930 -11.428   3.356
  137   1HD   LYS  15          2HD       LYS  15  -6.058 -12.069   5.537
  138   2HD   LYS  15          3HD       LYS  15  -7.131 -10.693   5.273
  139   1HE   LYS  15          2HE       LYS  15  -8.309 -12.487   4.368
  140   2HE   LYS  15          3HE       LYS  15  -7.558 -11.734   2.962
  141   1HZ   LYS  15          1HZ       LYS  15  -7.398 -14.355   3.602
  142   2HZ   LYS  15          2HZ       LYS  15  -5.928 -13.760   4.190
  143   3HZ   LYS  15          3HZ       LYS  15  -6.339 -13.541   2.563
  144    H    CYS  16           HN       CYS  16  -3.486  -6.588   3.554
  145    HA   CYS  16           HA       CYS  16  -3.480  -4.520   4.487
  146   1HB   CYS  16          2HB       CYS  16  -5.889  -5.635   5.054
  147   2HB   CYS  16          3HB       CYS  16  -5.324  -5.249   6.678
  148    H    THR  17           HN       THR  17  -1.280  -5.353   5.155
  149    HA   THR  17           HA       THR  17  -0.872  -5.805   7.973
  150    HB   THR  17           HB       THR  17   0.714  -5.949   5.505
  151    HG1  THR  17           1HG      THR  17   1.491  -7.358   7.751
  152   1HG2  THR  17          1HG2      THR  17   2.895  -5.742   6.655
  153   2HG2  THR  17          2HG2      THR  17   2.065  -5.126   8.084
  154   3HG2  THR  17          3HG2      THR  17   2.027  -4.208   6.577
  155    H    THR  18           HN       THR  18   0.386  -4.438   9.349
  156    HA   THR  18           HA       THR  18  -0.299  -1.748   9.335
  157    HB   THR  18           HB       THR  18   1.870  -3.277  10.739
  158    HG1  THR  18           1HG      THR  18   0.445  -3.212  12.316
  159   1HG2  THR  18          1HG2      THR  18   2.868  -1.429  11.655
  160   2HG2  THR  18          2HG2      THR  18   1.438  -0.419  11.448
  161   3HG2  THR  18          3HG2      THR  18   2.467  -0.782  10.062
  162    H    LEU  19           HN       LEU  19   2.866  -3.178   8.533
  163    HA   LEU  19           HA       LEU  19   4.161  -0.888   7.702
  164   1HB   LEU  19          2HB       LEU  19   4.654  -3.655   7.647
  165   2HB   LEU  19          3HB       LEU  19   4.876  -3.100   6.000
  166    HG   LEU  19           HG       LEU  19   6.959  -3.137   7.394
  167   1HD1  LEU  19          1HD1      LEU  19   5.965  -1.045   5.683
  168   2HD1  LEU  19          2HD1      LEU  19   7.123  -0.408   6.850
  169   3HD1  LEU  19          3HD1      LEU  19   7.584  -1.739   5.788
  170   1HD2  LEU  19          1HD2      LEU  19   6.526  -0.623   8.698
  171   2HD2  LEU  19          2HD2      LEU  19   5.315  -1.791   9.230
  172   3HD2  LEU  19          3HD2      LEU  19   7.032  -2.167   9.388
  173    H    GLU  20           HN       GLU  20   1.589  -2.563   6.176
  174    HA   GLU  20           HA       GLU  20   2.120  -1.515   3.551
  175   1HB   GLU  20          2HB       GLU  20   0.757  -3.180   2.947
  176   2HB   GLU  20          3HB       GLU  20   0.454  -3.541   4.637
  177   1HG   GLU  20          2HG       GLU  20  -1.663  -3.255   3.741
  178   2HG   GLU  20          3HG       GLU  20  -1.329  -1.707   4.513
  179    H    GLU  21           HN       GLU  21  -0.302  -0.899   6.091
  180    HA   GLU  21           HA       GLU  21  -1.580   1.229   4.766
  181   1HB   GLU  21          2HB       GLU  21  -2.617   1.738   6.842
  182   2HB   GLU  21          3HB       GLU  21  -2.420  -0.008   6.812
  183   1HG   GLU  21          2HG       GLU  21  -0.830   0.003   8.454
  184   2HG   GLU  21          3HG       GLU  21  -0.318   1.651   8.099
  185    H    GLU  22           HN       GLU  22   1.222   1.064   6.890
  186    HA   GLU  22           HA       GLU  22   1.634   3.858   7.129
  187   1HB   GLU  22          2HB       GLU  22   3.040   1.384   7.867
  188   2HB   GLU  22          3HB       GLU  22   4.107   2.728   7.500
  189   1HG   GLU  22          2HG       GLU  22   2.071   3.749   9.145
  190   2HG   GLU  22          3HG       GLU  22   2.583   2.220   9.857
  191    H    LYS  23           HN       LYS  23   2.869   1.355   4.940
  192    HA   LYS  23           HA       LYS  23   4.817   2.750   3.569
  193   1HB   LYS  23          2HB       LYS  23   4.601   0.514   2.930
  194   2HB   LYS  23          3HB       LYS  23   2.857   0.630   2.747
  195   1HG   LYS  23          2HG       LYS  23   3.216   0.769   0.554
  196   2HG   LYS  23          3HG       LYS  23   3.889   2.379   0.848
  197   1HD   LYS  23          2HD       LYS  23   5.460   1.042  -0.396
  198   2HD   LYS  23          3HD       LYS  23   6.101   1.363   1.209
  199   1HE   LYS  23          2HE       LYS  23   4.660  -1.003   1.464
  200   2HE   LYS  23          3HE       LYS  23   5.505  -1.155  -0.077
  201   1HZ   LYS  23          1HZ       LYS  23   6.614  -0.889   2.630
  202   2HZ   LYS  23          2HZ       LYS  23   7.514  -0.318   1.317
  203   3HZ   LYS  23          3HZ       LYS  23   7.061  -1.946   1.387
  204    H    CYS  24           HN       CYS  24   1.346   2.782   3.245
  205    HA   CYS  24           HA       CYS  24   1.240   4.519   1.004
  206   1HB   CYS  24          2HB       CYS  24  -0.774   3.582   3.028
  207   2HB   CYS  24          3HB       CYS  24  -1.195   4.736   1.764
  208    H    LYS  25           HN       LYS  25   1.168   5.022   4.498
  209    HA   LYS  25           HA       LYS  25   0.364   7.759   4.314
  210   1HB   LYS  25          2HB       LYS  25   1.824   6.544   6.647
  211   2HB   LYS  25          3HB       LYS  25   0.681   7.879   6.654
  212   1HG   LYS  25          2HG       LYS  25  -0.134   5.111   5.854
  213   2HG   LYS  25          3HG       LYS  25  -0.116   5.629   7.537
  214   1HD   LYS  25          2HD       LYS  25  -2.296   6.062   6.922
  215   2HD   LYS  25          3HD       LYS  25  -1.526   7.627   6.657
  216   1HE   LYS  25          2HE       LYS  25  -1.158   6.722   4.238
  217   2HE   LYS  25          3HE       LYS  25  -2.453   5.602   4.661
  218   1HZ   LYS  25          1HZ       LYS  25  -3.988   7.232   4.640
  219   2HZ   LYS  25          2HZ       LYS  25  -2.882   8.004   3.620
  220   3HZ   LYS  25          3HZ       LYS  25  -2.939   8.404   5.263
  221    H    THR  26           HN       THR  26   3.452   6.361   5.393
  222    HA   THR  26           HA       THR  26   4.912   8.703   5.437
  223    HB   THR  26           HB       THR  26   6.934   7.196   5.073
  224    HG1  THR  26           1HG      THR  26   6.599   5.099   4.726
  225   1HG2  THR  26          1HG2      THR  26   6.914   7.015   7.295
  226   2HG2  THR  26          2HG2      THR  26   5.609   5.830   7.238
  227   3HG2  THR  26          3HG2      THR  26   5.235   7.554   7.271
  228    H    LEU  27           HN       LEU  27   4.501   6.440   2.698
  229    HA   LEU  27           HA       LEU  27   6.198   8.087   1.047
  230   1HB   LEU  27          2HB       LEU  27   4.705   5.530   0.591
  231   2HB   LEU  27          3HB       LEU  27   5.488   6.387  -0.725
  232    HG   LEU  27           HG       LEU  27   7.586   6.282   0.848
  233   1HD1  LEU  27          1HD1      LEU  27   6.277   5.322   2.730
  234   2HD1  LEU  27          2HD1      LEU  27   6.054   3.858   1.768
  235   3HD1  LEU  27          3HD1      LEU  27   7.675   4.354   2.258
  236   1HD2  LEU  27          1HD2      LEU  27   7.247   5.214  -1.394
  237   2HD2  LEU  27          2HD2      LEU  27   8.319   4.338  -0.301
  238   3HD2  LEU  27          3HD2      LEU  27   6.664   3.781  -0.548
  239    H    TYR  28           HN       TYR  28   2.714   7.358   1.250
  240    HA   TYR  28           HA       TYR  28   2.293   9.387  -0.849
  241   1HB   TYR  28          2HB       TYR  28   0.130   7.493  -0.023
  242   2HB   TYR  28          3HB       TYR  28   0.384   8.282  -1.569
  243    HD1  TYR  28           1HD      TYR  28  -0.311   5.381  -1.167
  244    HD2  TYR  28           2HD      TYR  28   3.464   7.313  -1.539
  245    HE1  TYR  28           1HE      TYR  28   0.662   3.310  -2.051
  246    HE2  TYR  28           2HE      TYR  28   4.437   5.248  -2.415
  247    HH   TYR  28           HH       TYR  28   3.302   2.375  -2.066
  248    HA   PRO  29           HA       PRO  29   0.334  11.625   2.549
  249   1HB   PRO  29          2HB       PRO  29   0.736  14.087   1.591
  250   2HB   PRO  29          3HB       PRO  29   2.071  13.139   2.254
  251   1HG   PRO  29          2HG       PRO  29   1.399  13.742  -0.577
  252   2HG   PRO  29          3HG       PRO  29   2.983  13.504   0.177
  253   1HD   PRO  29          2HD       PRO  29   1.498  11.600  -1.298
  254   2HD   PRO  29          3HD       PRO  29   2.966  11.301  -0.349
  255    H    ARG  30           HN       ARG  30  -1.778  10.782   1.997
  256    HA   ARG  30           HA       ARG  30  -3.396  12.707   0.489
  257   1HB   ARG  30          2HB       ARG  30  -3.215   9.749  -0.012
  258   2HB   ARG  30          3HB       ARG  30  -4.657  10.657  -0.439
  259   1HG   ARG  30          2HG       ARG  30  -1.907  11.375  -1.425
  260   2HG   ARG  30          3HG       ARG  30  -3.009  10.305  -2.296
  261   1HD   ARG  30          2HD       ARG  30  -4.323  12.002  -2.972
  262   2HD   ARG  30          3HD       ARG  30  -4.185  12.854  -1.435
  263    HE   ARG  30           HE       ARG  30  -1.740  13.175  -2.570
  264   1HH1  ARG  30          2HH1      ARG  30  -5.001  13.786  -3.639
  265   2HH1  ARG  30          1HH1      ARG  30  -4.556  15.118  -4.651
  266   1HH2  ARG  30          2HH2      ARG  30  -1.148  14.928  -3.901
  267   2HH2  ARG  30          1HH2      ARG  30  -2.367  15.766  -4.802
  268    H    GLY  31           HN       GLY  31  -5.802  11.685   0.563
  269   1HA   GLY  31          1HA       GLY  31  -6.371  11.243   3.428
  270   2HA   GLY  31          2HA       GLY  31  -7.427  12.135   2.337
  271    H    GLN  32           HN       GLN  32  -7.143  10.340   0.124
  272    HA   GLN  32           HA       GLN  32  -8.891   8.187   1.058
  273   1HB   GLN  32          2HB       GLN  32  -8.386   8.438  -1.839
  274   2HB   GLN  32          3HB       GLN  32  -9.903   8.233  -0.975
  275   1HG   GLN  32          2HG       GLN  32  -9.318  10.757  -0.273
  276   2HG   GLN  32          3HG       GLN  32  -8.537  10.688  -1.852
  277   1HE2  GLN  32          1HE2      GLN  32 -10.351  12.419  -1.962
  278   2HE2  GLN  32          2HE2      GLN  32 -11.846  11.865  -2.628
  279    H    CYS  33           HN       CYS  33  -5.849   8.499   1.121
  280    HA   CYS  33           HA       CYS  33  -5.050   6.083  -0.337
  281   1HB   CYS  33          2HB       CYS  33  -3.733   8.250  -0.493
  282   2HB   CYS  33          3HB       CYS  33  -3.280   8.000   1.186
  283    H    THR  34           HN       THR  34  -4.566   4.218   0.712
  284    HA   THR  34           HA       THR  34  -3.652   4.047   3.365
  285    HB   THR  34           HB       THR  34  -5.967   4.862   3.788
  286    HG1  THR  34           1HG      THR  34  -6.161   3.543   5.536
  287   1HG2  THR  34          1HG2      THR  34  -6.622   2.673   2.024
  288   2HG2  THR  34          2HG2      THR  34  -7.647   3.977   2.622
  289   3HG2  THR  34          3HG2      THR  34  -7.458   2.501   3.568
  290    H    CYS  35           HN       CYS  35  -5.316   1.505   3.827
  291    HA   CYS  35           HA       CYS  35  -3.651  -0.162   2.092
  292   1HB   CYS  35          2HB       CYS  35  -3.322  -0.905   4.254
  293   2HB   CYS  35          3HB       CYS  35  -4.986  -0.586   4.732
  294    H    SER  36           HN       SER  36  -4.417  -1.541   0.617
  295    HA   SER  36           HA       SER  36  -7.285  -2.091   0.489
  296   1HB   SER  36          2HB       SER  36  -6.557  -0.072  -0.982
  297   2HB   SER  36          3HB       SER  36  -5.843  -1.301  -2.025
  298    HG   SER  36           HG       SER  36  -8.020  -0.756  -2.592
  299    H    ASP  37           HN       ASP  37  -7.610  -4.178   0.210
  300    HA   ASP  37           HA       ASP  37  -5.585  -5.765  -1.222
  301   1HB   ASP  37          2HB       ASP  37  -5.454  -6.217   1.183
  302   2HB   ASP  37          3HB       ASP  37  -7.175  -6.587   1.219
  303    H    SER  38           HN       SER  38  -6.389  -7.669  -2.296
  304    HA   SER  38           HA       SER  38  -9.154  -7.309  -3.209
  305   1HB   SER  38          2HB       SER  38  -6.871  -7.601  -4.670
  306   2HB   SER  38          3HB       SER  38  -7.450  -9.266  -4.612
  307    HG   SER  38           HG       SER  38  -9.471  -8.476  -5.401
  308    H    LYS  39           HN       LYS  39  -7.063 -10.177  -3.012
  309    HA   LYS  39           HA       LYS  39  -8.603 -11.490  -1.028
  310   1HB   LYS  39          2HB       LYS  39  -9.758 -11.552  -3.570
  311   2HB   LYS  39          3HB       LYS  39  -8.971 -13.117  -3.403
  312   1HG   LYS  39          2HG       LYS  39 -10.228 -12.840  -0.990
  313   2HG   LYS  39          3HG       LYS  39 -11.360 -12.067  -2.102
  314   1HD   LYS  39          2HD       LYS  39 -11.915 -14.014  -3.077
  315   2HD   LYS  39          3HD       LYS  39 -10.249 -14.596  -3.081
  316   1HE   LYS  39          2HE       LYS  39 -10.482 -15.066  -0.645
  317   2HE   LYS  39          3HE       LYS  39 -12.188 -14.643  -0.775
  318   1HZ   LYS  39          1HZ       LYS  39 -11.457 -16.540  -2.758
  319   2HZ   LYS  39          2HZ       LYS  39 -12.649 -16.650  -1.562
  320   3HZ   LYS  39          3HZ       LYS  39 -11.060 -17.113  -1.216
  321    H    MET  40           HN       MET  40  -5.885 -10.993  -1.451
  322    HA   MET  40           HA       MET  40  -4.872 -13.727  -1.444
  323   1HB   MET  40          2HB       MET  40  -4.108 -11.616  -3.406
  324   2HB   MET  40          3HB       MET  40  -2.839 -12.669  -2.794
  325   1HG   MET  40          2HG       MET  40  -3.535 -14.409  -4.004
  326   2HG   MET  40          3HG       MET  40  -5.233 -14.098  -3.651
  327   1HE   MET  40          1HE       MET  40  -6.743 -13.187  -4.791
  328   2HE   MET  40          2HE       MET  40  -6.648 -12.020  -6.110
  329   3HE   MET  40          3HE       MET  40  -6.630 -13.748  -6.459
  330    H    ASN  41           HN       ASN  41  -2.322 -13.494  -0.993
  331    HA   ASN  41           HA       ASN  41  -2.159 -12.296   1.588
  332   1HB   ASN  41          2HB       ASN  41  -0.970 -14.419   0.725
  333   2HB   ASN  41          3HB       ASN  41   0.207 -13.310   0.029
  334   1HD2  ASN  41          1HD2      ASN  41  -1.563 -13.161   3.087
  335   2HD2  ASN  41          2HD2      ASN  41  -0.161 -13.143   4.097
  336    H    THR  42           HN       THR  42  -1.128 -11.363  -1.628
  337    HA   THR  42           HA       THR  42   0.319  -9.072  -0.514
  338    HB   THR  42           HB       THR  42   0.672  -8.764  -3.168
  339    HG1  THR  42           1HG      THR  42   0.726 -11.585  -2.823
  340   1HG2  THR  42          1HG2      THR  42   2.536 -10.747  -2.162
  341   2HG2  THR  42          2HG2      THR  42   2.209  -9.485  -0.975
  342   3HG2  THR  42          3HG2      THR  42   2.807  -9.054  -2.577
  343    H    HIS  43           HN       HIS  43  -0.227  -7.021  -0.854
  344    HA   HIS  43           HA       HIS  43  -2.441  -6.273  -2.586
  345   1HB   HIS  43          2HB       HIS  43  -3.417  -4.967  -0.570
  346   2HB   HIS  43          3HB       HIS  43  -3.745  -6.695  -0.656
  347    HD1  HIS  43           1HD      HIS  43  -2.043  -8.189   0.817
  348    HD2  HIS  43           2HD      HIS  43  -2.277  -4.157   1.765
  349    HE1  HIS  43           1HE      HIS  43  -1.058  -7.968   3.100
  350    HE2  HIS  43           2HE      HIS  43  -1.311  -5.547   3.706
  351    H    SER  44           HN       SER  44  -2.778  -3.699  -2.035
  352    HA   SER  44           HA       SER  44  -0.310  -2.463  -1.275
  353   1HB   SER  44          2HB       SER  44  -0.028  -1.211  -3.444
  354   2HB   SER  44          3HB       SER  44   0.391  -2.923  -3.480
  355    HG   SER  44           HG       SER  44  -0.936  -2.172  -5.272
  356    H    CYS  45           HN       CYS  45  -1.176  -0.042  -2.979
  357    HA   CYS  45           HA       CYS  45  -3.020   0.950  -0.941
  358   1HB   CYS  45          2HB       CYS  45  -0.720   2.017  -1.993
  359   2HB   CYS  45          3HB       CYS  45  -1.980   2.895  -2.856
  360    H    ASP  46           HN       ASP  46  -4.404   2.866  -1.793
  361    HA   ASP  46           HA       ASP  46  -5.553   2.432  -4.412
  362   1HB   ASP  46          2HB       ASP  46  -6.671   0.858  -2.662
  363   2HB   ASP  46          3HB       ASP  46  -7.457   2.328  -2.093
  364    H    CYS  47           HN       CYS  47  -4.183   4.584  -2.856
  365    HA   CYS  47           HA       CYS  47  -5.911   6.618  -2.065
  366   1HB   CYS  47          2HB       CYS  47  -3.639   7.624  -3.595
  367   2HB   CYS  47          3HB       CYS  47  -4.037   7.863  -1.900
  368    H    LYS  48           HN       LYS  48  -5.165   5.378  -5.158
  369    HA   LYS  48           HA       LYS  48  -6.965   7.337  -6.393
  370   1HB   LYS  48          2HB       LYS  48  -4.786   8.079  -7.038
  371   2HB   LYS  48          3HB       LYS  48  -4.274   6.442  -7.418
  372   1HG   LYS  48          2HG       LYS  48  -4.662   7.649  -9.453
  373   2HG   LYS  48          3HG       LYS  48  -5.897   6.401  -9.277
  374   1HD   LYS  48          2HD       LYS  48  -7.109   8.496  -8.058
  375   2HD   LYS  48          3HD       LYS  48  -6.152   9.332  -9.283
  376   1HE   LYS  48          2HE       LYS  48  -7.334   7.080 -10.520
  377   2HE   LYS  48          3HE       LYS  48  -8.595   7.889  -9.588
  378   1HZ   LYS  48          1HZ       LYS  48  -6.907   9.035 -11.738
  379   2HZ   LYS  48          2HZ       LYS  48  -7.835   9.995 -10.699
  380   3HZ   LYS  48          3HZ       LYS  48  -8.591   8.872 -11.712
  381    H    SER  49           HN       SER  49  -8.526   6.431  -7.547
  382    HA   SER  49           HA       SER  49  -8.973   3.683  -7.611
  383   1HB   SER  49          2HB       SER  49 -10.424   5.923  -8.284
  384   2HB   SER  49          3HB       SER  49 -10.194   5.139  -9.847
  385    HG   SER  49           HG       SER  49 -12.080   4.419  -8.710
  386    H    CYS  50           HN       CYS  50  -7.035   2.703  -8.332
  387    HA   CYS  50           HA       CYS  50  -6.639   2.839 -11.247
  388   1HB   CYS  50          2HB       CYS  50  -4.237   2.188 -10.740
  389   2HB   CYS  50          3HB       CYS  50  -4.701   3.825 -10.292
  Start of MODEL   23
    1   1H    ASN   1          1H        ASN   1  -4.592  18.419   0.174
    2   2H    ASN   1          2H        ASN   1  -3.495  19.087  -0.926
    3   3H    ASN   1          3H        ASN   1  -2.951  18.521   0.572
    4    HA   ASN   1           HA       ASN   1  -2.446  17.014  -1.302
    5   1HB   ASN   1          2HB       ASN   1  -3.833  15.068   0.007
    6   2HB   ASN   1          3HB       ASN   1  -2.324  15.766   0.585
    7   1HD2  ASN   1          1HD2      ASN   1  -5.829  16.230   0.719
    8   2HD2  ASN   1          2HD2      ASN   1  -5.864  16.811   2.345
    9    H    LEU   2           HN       LEU   2  -3.150  16.516  -3.265
   10    HA   LEU   2           HA       LEU   2  -5.823  15.473  -3.648
   11   1HB   LEU   2          2HB       LEU   2  -5.071  18.187  -4.417
   12   2HB   LEU   2          3HB       LEU   2  -5.690  17.245  -5.760
   13    HG   LEU   2           HG       LEU   2  -7.211  17.349  -3.182
   14   1HD1  LEU   2          1HD1      LEU   2  -8.406  19.206  -4.845
   15   2HD1  LEU   2          2HD1      LEU   2  -7.486  19.546  -3.379
   16   3HD1  LEU   2          3HD1      LEU   2  -6.685  19.581  -4.950
   17   1HD2  LEU   2          1HD2      LEU   2  -8.579  16.060  -4.361
   18   2HD2  LEU   2          2HD2      LEU   2  -8.855  17.416  -5.454
   19   3HD2  LEU   2          3HD2      LEU   2  -7.580  16.249  -5.802
   20    H    MET   3           HN       MET   3  -2.656  15.243  -4.160
   21    HA   MET   3           HA       MET   3  -3.023  13.592  -6.537
   22   1HB   MET   3          2HB       MET   3  -1.824  16.147  -6.657
   23   2HB   MET   3          3HB       MET   3  -0.519  14.977  -6.790
   24   1HG   MET   3          2HG       MET   3  -1.968  13.850  -8.573
   25   2HG   MET   3          3HG       MET   3  -2.891  15.351  -8.578
   26   1HE   MET   3          1HE       MET   3  -2.621  17.060  -9.682
   27   2HE   MET   3          2HE       MET   3  -1.126  17.936 -10.009
   28   3HE   MET   3          3HE       MET   3  -1.802  16.858 -11.231
   29    H    LYS   4           HN       LYS   4  -2.416  11.658  -5.807
   30    HA   LYS   4           HA       LYS   4   0.114  11.476  -4.306
   31   1HB   LYS   4          2HB       LYS   4  -1.845   9.298  -3.936
   32   2HB   LYS   4          3HB       LYS   4  -0.775  10.061  -2.769
   33   1HG   LYS   4          2HG       LYS   4  -2.632  10.951  -1.928
   34   2HG   LYS   4          3HG       LYS   4  -2.560  12.059  -3.302
   35   1HD   LYS   4          2HD       LYS   4  -3.780   9.778  -4.317
   36   2HD   LYS   4          3HD       LYS   4  -4.478   9.966  -2.707
   37   1HE   LYS   4          2HE       LYS   4  -5.202  12.186  -3.200
   38   2HE   LYS   4          3HE       LYS   4  -4.304  12.202  -4.717
   39   1HZ   LYS   4          1HZ       LYS   4  -6.781  10.738  -4.059
   40   2HZ   LYS   4          2HZ       LYS   4  -5.794  10.239  -5.339
   41   3HZ   LYS   4          3HZ       LYS   4  -6.480  11.785  -5.354
   42    H    ARG   5           HN       ARG   5  -0.098   8.540  -4.316
   43    HA   ARG   5           HA       ARG   5   0.049   7.810  -7.123
   44   1HB   ARG   5          2HB       ARG   5   2.401   8.286  -5.444
   45   2HB   ARG   5          3HB       ARG   5   2.392   6.696  -6.192
   46   1HG   ARG   5          2HG       ARG   5   3.240   7.654  -7.998
   47   2HG   ARG   5          3HG       ARG   5   1.669   8.422  -8.238
   48   1HD   ARG   5          2HD       ARG   5   2.352  10.409  -7.236
   49   2HD   ARG   5          3HD       ARG   5   3.707   9.638  -6.412
   50    HE   ARG   5           HE       ARG   5   3.918   9.591  -9.277
   51   1HH1  ARG   5          2HH1      ARG   5   4.537  11.442  -6.391
   52   2HH1  ARG   5          1HH1      ARG   5   5.813  12.370  -7.107
   53   1HH2  ARG   5          2HH2      ARG   5   5.597  10.805 -10.226
   54   2HH2  ARG   5          1HH2      ARG   5   6.417  12.006  -9.286
   55    H    CYS   6           HN       CYS   6  -1.819   6.583  -6.304
   56    HA   CYS   6           HA       CYS   6  -1.978   4.761  -4.321
   57   1HB   CYS   6          2HB       CYS   6  -3.426   3.384  -5.820
   58   2HB   CYS   6          3HB       CYS   6  -3.828   5.096  -5.824
   59    H    THR   7           HN       THR   7  -0.510   3.347  -3.617
   60    HA   THR   7           HA       THR   7   0.982   1.644  -3.540
   61    HB   THR   7           HB       THR   7   0.602  -0.219  -4.805
   62    HG1  THR   7           1HG      THR   7   0.490  -0.217  -6.981
   63   1HG2  THR   7          1HG2      THR   7  -1.581  -0.126  -4.251
   64   2HG2  THR   7          2HG2      THR   7  -1.821   0.210  -5.966
   65   3HG2  THR   7          3HG2      THR   7  -1.756   1.538  -4.807
   66    H    ARG   8           HN       ARG   8   3.064   1.050  -4.184
   67    HA   ARG   8           HA       ARG   8   4.330   2.933  -6.042
   68   1HB   ARG   8          2HB       ARG   8   5.045   2.147  -3.498
   69   2HB   ARG   8          3HB       ARG   8   6.068   1.133  -4.506
   70   1HG   ARG   8          2HG       ARG   8   7.460   2.825  -4.779
   71   2HG   ARG   8          3HG       ARG   8   6.176   3.752  -5.558
   72   1HD   ARG   8          2HD       ARG   8   5.398   4.410  -3.263
   73   2HD   ARG   8          3HD       ARG   8   6.863   3.668  -2.627
   74    HE   ARG   8           HE       ARG   8   8.016   5.521  -3.270
   75   1HH1  ARG   8          2HH1      ARG   8   5.060   5.385  -5.114
   76   2HH1  ARG   8          1HH1      ARG   8   5.315   6.921  -5.873
   77   1HH2  ARG   8          2HH2      ARG   8   8.355   7.540  -4.264
   78   2HH2  ARG   8          1HH2      ARG   8   7.187   8.144  -5.393
   79    H    GLY   9           HN       GLY   9   2.754   0.783  -6.972
   80   1HA   GLY   9          1HA       GLY   9   3.312  -0.336  -9.077
   81   2HA   GLY   9          2HA       GLY   9   4.805  -0.867  -8.307
   82    H    PHE  10           HN       PHE  10   2.019  -0.831  -6.337
   83    HA   PHE  10           HA       PHE  10   0.810  -2.463  -5.315
   84   1HB   PHE  10          2HB       PHE  10   0.303  -2.772  -7.920
   85   2HB   PHE  10          3HB       PHE  10   1.104  -4.313  -7.634
   86    HD1  PHE  10           1HD      PHE  10   0.226  -5.473  -5.340
   87    HD2  PHE  10           2HD      PHE  10  -1.971  -2.796  -7.810
   88    HE1  PHE  10           1HE      PHE  10  -1.880  -6.407  -4.470
   89    HE2  PHE  10           2HE      PHE  10  -4.080  -3.720  -6.945
   90    HZ   PHE  10           HZ       PHE  10  -4.037  -5.528  -5.272
   91    H    ARG  11           HN       ARG  11   2.704  -2.748  -3.881
   92    HA   ARG  11           HA       ARG  11   3.602  -5.497  -4.035
   93   1HB   ARG  11          2HB       ARG  11   5.991  -4.804  -3.606
   94   2HB   ARG  11          3HB       ARG  11   5.386  -4.479  -5.222
   95   1HG   ARG  11          2HG       ARG  11   6.067  -2.387  -4.984
   96   2HG   ARG  11          3HG       ARG  11   4.823  -2.175  -3.749
   97   1HD   ARG  11          2HD       ARG  11   6.311  -2.208  -2.075
   98   2HD   ARG  11          3HD       ARG  11   7.228  -3.532  -2.797
   99    HE   ARG  11           HE       ARG  11   7.583  -0.669  -3.359
  100   1HH1  ARG  11          2HH1      ARG  11   8.668  -3.970  -3.642
  101   2HH1  ARG  11          1HH1      ARG  11  10.232  -3.538  -4.249
  102   1HH2  ARG  11          2HH2      ARG  11   9.634  -0.093  -4.162
  103   2HH2  ARG  11          1HH2      ARG  11  10.780  -1.335  -4.546
  104    H    LYS  12           HN       LYS  12   1.862  -4.852  -2.205
  105    HA   LYS  12           HA       LYS  12   3.399  -4.455   0.279
  106   1HB   LYS  12          2HB       LYS  12   0.465  -3.943  -0.285
  107   2HB   LYS  12          3HB       LYS  12   1.188  -3.857   1.311
  108   1HG   LYS  12          2HG       LYS  12   0.895  -1.641   0.311
  109   2HG   LYS  12          3HG       LYS  12   2.594  -2.007   0.609
  110   1HD   LYS  12          2HD       LYS  12   3.014  -2.370  -1.684
  111   2HD   LYS  12          3HD       LYS  12   1.294  -2.446  -2.065
  112   1HE   LYS  12          2HE       LYS  12   1.164  -0.235  -2.317
  113   2HE   LYS  12          3HE       LYS  12   2.010   0.058  -0.797
  114   1HZ   LYS  12          1HZ       LYS  12   3.206  -0.418  -3.468
  115   2HZ   LYS  12          2HZ       LYS  12   4.108  -0.438  -2.038
  116   3HZ   LYS  12          3HZ       LYS  12   3.318   0.978  -2.518
  117    H    LEU  13           HN       LEU  13   2.721  -5.884   2.123
  118    HA   LEU  13           HA       LEU  13   1.244  -8.271   1.284
  119   1HB   LEU  13          2HB       LEU  13   3.119  -9.680   2.327
  120   2HB   LEU  13          3HB       LEU  13   3.340  -9.050   0.706
  121    HG   LEU  13           HG       LEU  13   4.424  -7.089   2.365
  122   1HD1  LEU  13          1HD1      LEU  13   5.828  -8.126   3.916
  123   2HD1  LEU  13          2HD1      LEU  13   4.272  -8.928   4.140
  124   3HD1  LEU  13          3HD1      LEU  13   5.555  -9.727   3.231
  125   1HD2  LEU  13          1HD2      LEU  13   6.501  -8.756   1.450
  126   2HD2  LEU  13          2HD2      LEU  13   5.207  -8.849   0.255
  127   3HD2  LEU  13          3HD2      LEU  13   5.881  -7.282   0.704
  128    H    GLY  14           HN       GLY  14   0.697  -9.748   2.992
  129   1HA   GLY  14          1HA       GLY  14   0.356 -10.347   5.242
  130   2HA   GLY  14          2HA       GLY  14   0.979  -8.781   5.734
  131    H    LYS  15           HN       LYS  15  -1.761 -10.112   3.864
  132    HA   LYS  15           HA       LYS  15  -3.749  -8.781   3.492
  133   1HB   LYS  15          2HB       LYS  15  -3.942 -10.461   5.992
  134   2HB   LYS  15          3HB       LYS  15  -5.309  -9.884   5.053
  135   1HG   LYS  15          2HG       LYS  15  -4.577 -11.161   3.131
  136   2HG   LYS  15          3HG       LYS  15  -3.152 -11.704   4.020
  137   1HD   LYS  15          2HD       LYS  15  -5.865 -12.195   5.166
  138   2HD   LYS  15          3HD       LYS  15  -5.282 -13.225   3.857
  139   1HE   LYS  15          2HE       LYS  15  -3.795 -14.270   5.178
  140   2HE   LYS  15          3HE       LYS  15  -3.337 -12.779   6.001
  141   1HZ   LYS  15          1HZ       LYS  15  -4.771 -13.165   7.657
  142   2HZ   LYS  15          2HZ       LYS  15  -4.757 -14.768   7.117
  143   3HZ   LYS  15          3HZ       LYS  15  -5.993 -13.723   6.627
  144    H    CYS  16           HN       CYS  16  -3.479  -6.592   3.771
  145    HA   CYS  16           HA       CYS  16  -3.635  -4.541   4.741
  146   1HB   CYS  16          2HB       CYS  16  -5.945  -5.658   5.275
  147   2HB   CYS  16          3HB       CYS  16  -5.333  -5.701   6.927
  148    H    THR  17           HN       THR  17  -1.341  -5.094   5.260
  149    HA   THR  17           HA       THR  17  -0.793  -5.561   8.079
  150    HB   THR  17           HB       THR  17   0.572  -6.038   5.593
  151    HG1  THR  17           1HG      THR  17   1.022  -6.764   8.312
  152   1HG2  THR  17          1HG2      THR  17   1.825  -3.976   6.113
  153   2HG2  THR  17          2HG2      THR  17   2.844  -5.412   6.208
  154   3HG2  THR  17          3HG2      THR  17   2.259  -4.648   7.685
  155    H    THR  18           HN       THR  18   0.694  -4.171   9.248
  156    HA   THR  18           HA       THR  18  -0.029  -1.483   9.224
  157    HB   THR  18           HB       THR  18   2.352  -2.901  10.410
  158    HG1  THR  18           1HG      THR  18   1.124  -2.902  12.161
  159   1HG2  THR  18          1HG2      THR  18   1.754  -0.097  11.202
  160   2HG2  THR  18          2HG2      THR  18   2.644  -0.354   9.699
  161   3HG2  THR  18          3HG2      THR  18   3.284  -0.977  11.222
  162    H    LEU  19           HN       LEU  19   3.252  -2.647   8.510
  163    HA   LEU  19           HA       LEU  19   4.321  -0.468   7.319
  164   1HB   LEU  19          2HB       LEU  19   5.033  -3.125   7.559
  165   2HB   LEU  19          3HB       LEU  19   5.000  -2.877   5.825
  166    HG   LEU  19           HG       LEU  19   7.239  -2.538   6.911
  167   1HD1  LEU  19          1HD1      LEU  19   7.645  -1.372   5.072
  168   2HD1  LEU  19          2HD1      LEU  19   5.926  -1.010   4.917
  169   3HD1  LEU  19          3HD1      LEU  19   6.976   0.073   5.832
  170   1HD2  LEU  19          1HD2      LEU  19   5.665  -0.764   8.539
  171   2HD2  LEU  19          2HD2      LEU  19   7.328  -1.310   8.761
  172   3HD2  LEU  19          3HD2      LEU  19   6.989   0.109   7.769
  173    H    GLU  20           HN       GLU  20   1.840  -2.461   5.995
  174    HA   GLU  20           HA       GLU  20   2.200  -1.589   3.285
  175   1HB   GLU  20          2HB       GLU  20   1.173  -3.694   3.501
  176   2HB   GLU  20          3HB       GLU  20   0.075  -3.127   4.751
  177   1HG   GLU  20          2HG       GLU  20  -0.119  -1.910   2.057
  178   2HG   GLU  20          3HG       GLU  20  -0.712  -3.544   2.298
  179    H    GLU  21           HN       GLU  21  -0.469  -1.107   5.585
  180    HA   GLU  21           HA       GLU  21  -1.760   0.994   4.280
  181   1HB   GLU  21          2HB       GLU  21  -2.879   1.435   6.316
  182   2HB   GLU  21          3HB       GLU  21  -2.540  -0.288   6.340
  183   1HG   GLU  21          2HG       GLU  21  -0.430   0.402   7.667
  184   2HG   GLU  21          3HG       GLU  21  -1.309   1.904   7.939
  185    H    GLU  22           HN       GLU  22   1.112   0.919   6.254
  186    HA   GLU  22           HA       GLU  22   1.370   3.740   6.611
  187   1HB   GLU  22          2HB       GLU  22   2.886   1.312   7.305
  188   2HB   GLU  22          3HB       GLU  22   3.871   2.736   7.017
  189   1HG   GLU  22          2HG       GLU  22   1.628   3.402   8.678
  190   2HG   GLU  22          3HG       GLU  22   2.513   2.036   9.355
  191    H    LYS  23           HN       LYS  23   2.763   1.312   4.426
  192    HA   LYS  23           HA       LYS  23   4.666   2.752   3.083
  193   1HB   LYS  23          2HB       LYS  23   4.389   0.495   2.451
  194   2HB   LYS  23          3HB       LYS  23   2.671   0.695   2.150
  195   1HG   LYS  23          2HG       LYS  23   3.109   0.971  -0.002
  196   2HG   LYS  23          3HG       LYS  23   4.062   2.413   0.387
  197   1HD   LYS  23          2HD       LYS  23   5.489   0.940  -0.791
  198   2HD   LYS  23          3HD       LYS  23   5.980   0.866   0.895
  199   1HE   LYS  23          2HE       LYS  23   4.129  -1.121   0.782
  200   2HE   LYS  23          3HE       LYS  23   4.822  -1.205  -0.838
  201   1HZ   LYS  23          1HZ       LYS  23   7.047  -1.078   0.521
  202   2HZ   LYS  23          2HZ       LYS  23   6.249  -2.551   0.286
  203   3HZ   LYS  23          3HZ       LYS  23   6.082  -1.725   1.753
  204    H    CYS  24           HN       CYS  24   1.194   2.664   2.544
  205    HA   CYS  24           HA       CYS  24   1.033   4.503   0.436
  206   1HB   CYS  24          2HB       CYS  24  -1.105   4.300   2.528
  207   2HB   CYS  24          3HB       CYS  24  -1.270   4.459   0.783
  208    H    LYS  25           HN       LYS  25   0.504   5.030   3.927
  209    HA   LYS  25           HA       LYS  25   0.188   7.830   3.724
  210   1HB   LYS  25          2HB       LYS  25   0.466   5.856   5.877
  211   2HB   LYS  25          3HB       LYS  25   1.071   7.455   6.288
  212   1HG   LYS  25          2HG       LYS  25  -1.086   7.692   6.945
  213   2HG   LYS  25          3HG       LYS  25  -1.244   8.207   5.264
  214   1HD   LYS  25          2HD       LYS  25  -1.690   5.370   6.176
  215   2HD   LYS  25          3HD       LYS  25  -2.982   6.568   6.069
  216   1HE   LYS  25          2HE       LYS  25  -1.574   6.666   3.626
  217   2HE   LYS  25          3HE       LYS  25  -1.826   4.961   4.000
  218   1HZ   LYS  25          1HZ       LYS  25  -4.000   6.973   4.075
  219   2HZ   LYS  25          2HZ       LYS  25  -4.150   5.290   4.139
  220   3HZ   LYS  25          3HZ       LYS  25  -3.646   6.041   2.709
  221    H    THR  26           HN       THR  26   2.809   6.374   5.580
  222    HA   THR  26           HA       THR  26   4.541   8.359   5.833
  223    HB   THR  26           HB       THR  26   6.409   6.777   5.795
  224    HG1  THR  26           1HG      THR  26   5.208   4.484   5.314
  225   1HG2  THR  26          1HG2      THR  26   5.235   4.970   7.273
  226   2HG2  THR  26          2HG2      THR  26   3.829   6.021   7.103
  227   3HG2  THR  26          3HG2      THR  26   5.314   6.642   7.825
  228    H    LEU  27           HN       LEU  27   4.315   6.464   2.794
  229    HA   LEU  27           HA       LEU  27   6.401   8.079   1.625
  230   1HB   LEU  27          2HB       LEU  27   4.772   5.752   0.706
  231   2HB   LEU  27          3HB       LEU  27   5.688   6.698  -0.453
  232    HG   LEU  27           HG       LEU  27   7.657   6.264   1.241
  233   1HD1  LEU  27          1HD1      LEU  27   7.538   4.209   2.406
  234   2HD1  LEU  27          2HD1      LEU  27   6.082   5.110   2.828
  235   3HD1  LEU  27          3HD1      LEU  27   5.996   3.793   1.657
  236   1HD2  LEU  27          1HD2      LEU  27   6.725   4.047  -0.568
  237   2HD2  LEU  27          2HD2      LEU  27   7.432   5.551  -1.159
  238   3HD2  LEU  27          3HD2      LEU  27   8.382   4.473  -0.137
  239    H    TYR  28           HN       TYR  28   2.874   7.864   1.437
  240    HA   TYR  28           HA       TYR  28   2.963  10.146  -0.446
  241   1HB   TYR  28          2HB       TYR  28   0.541   8.416  -0.260
  242   2HB   TYR  28          3HB       TYR  28   1.155   9.330  -1.625
  243    HD1  TYR  28           1HD      TYR  28   0.120   6.421  -1.419
  244    HD2  TYR  28           2HD      TYR  28   4.030   8.090  -1.484
  245    HE1  TYR  28           1HE      TYR  28   0.989   4.330  -2.363
  246    HE2  TYR  28           2HE      TYR  28   4.906   6.009  -2.435
  247    HH   TYR  28           HH       TYR  28   3.372   3.160  -2.351
  248    HA   PRO  29           HA       PRO  29   0.513  12.161   2.742
  249   1HB   PRO  29          2HB       PRO  29   0.476  14.610   1.682
  250   2HB   PRO  29          3HB       PRO  29   1.981  13.927   2.311
  251   1HG   PRO  29          2HG       PRO  29   1.070  14.232  -0.511
  252   2HG   PRO  29          3HG       PRO  29   2.699  14.388   0.167
  253   1HD   PRO  29          2HD       PRO  29   1.657  12.132  -1.138
  254   2HD   PRO  29          3HD       PRO  29   3.132  12.182  -0.154
  255    H    ARG  30           HN       ARG  30  -1.062  10.544   1.486
  256    HA   ARG  30           HA       ARG  30  -2.941  11.811  -0.291
  257   1HB   ARG  30          2HB       ARG  30  -3.782   9.246   0.799
  258   2HB   ARG  30          3HB       ARG  30  -3.487   9.719  -0.871
  259   1HG   ARG  30          2HG       ARG  30  -1.855   8.185  -0.690
  260   2HG   ARG  30          3HG       ARG  30  -0.961   9.551  -0.024
  261   1HD   ARG  30          2HD       ARG  30  -2.393   7.380   1.503
  262   2HD   ARG  30          3HD       ARG  30  -0.655   7.656   1.422
  263    HE   ARG  30           HE       ARG  30  -0.887   9.452   2.895
  264   1HH1  ARG  30          2HH1      ARG  30  -3.985   8.055   2.110
  265   2HH1  ARG  30          1HH1      ARG  30  -4.802   8.811   3.437
  266   1HH2  ARG  30          2HH2      ARG  30  -1.959  10.445   4.641
  267   2HH2  ARG  30          1HH2      ARG  30  -3.652  10.166   4.874
  268    H    GLY  31           HN       GLY  31  -5.288  10.783   0.257
  269   1HA   GLY  31          1HA       GLY  31  -6.109  11.480   2.970
  270   2HA   GLY  31          2HA       GLY  31  -6.789  12.433   1.655
  271    H    GLN  32           HN       GLN  32  -6.725  10.084  -0.156
  272    HA   GLN  32           HA       GLN  32  -9.066   8.659   0.919
  273   1HB   GLN  32          2HB       GLN  32  -8.480   8.745  -2.018
  274   2HB   GLN  32          3HB       GLN  32 -10.026   8.606  -1.188
  275   1HG   GLN  32          2HG       GLN  32  -8.665  11.136  -0.688
  276   2HG   GLN  32          3HG       GLN  32  -9.056  10.859  -2.385
  277   1HE2  GLN  32          1HE2      GLN  32 -11.149  10.932  -3.045
  278   2HE2  GLN  32          2HE2      GLN  32 -12.468  11.367  -2.017
  279    H    CYS  33           HN       CYS  33  -6.082   8.130   1.045
  280    HA   CYS  33           HA       CYS  33  -5.990   5.514  -0.300
  281   1HB   CYS  33          2HB       CYS  33  -4.147   7.289  -0.591
  282   2HB   CYS  33          3HB       CYS  33  -3.667   6.870   1.049
  283    H    THR  34           HN       THR  34  -4.636   3.872   0.966
  284    HA   THR  34           HA       THR  34  -4.175   3.729   3.616
  285    HB   THR  34           HB       THR  34  -6.522   4.413   3.994
  286    HG1  THR  34           1HG      THR  34  -6.943   2.197   5.224
  287   1HG2  THR  34          1HG2      THR  34  -7.075   1.921   2.429
  288   2HG2  THR  34          2HG2      THR  34  -7.823   3.513   2.302
  289   3HG2  THR  34          3HG2      THR  34  -8.216   2.461   3.660
  290    H    CYS  35           HN       CYS  35  -5.806   1.153   3.999
  291    HA   CYS  35           HA       CYS  35  -3.990  -0.544   2.478
  292   1HB   CYS  35          2HB       CYS  35  -3.865  -1.619   4.439
  293   2HB   CYS  35          3HB       CYS  35  -5.162  -0.638   5.108
  294    H    SER  36           HN       SER  36  -4.640  -1.655   0.764
  295    HA   SER  36           HA       SER  36  -7.492  -2.296   0.484
  296   1HB   SER  36          2HB       SER  36  -5.894  -0.551  -1.216
  297   2HB   SER  36          3HB       SER  36  -6.622  -1.876  -2.123
  298    HG   SER  36           HG       SER  36  -8.628  -1.222  -1.463
  299    H    ASP  37           HN       ASP  37  -7.618  -4.425   0.506
  300    HA   ASP  37           HA       ASP  37  -5.543  -6.002  -0.842
  301   1HB   ASP  37          2HB       ASP  37  -6.576  -7.881   0.579
  302   2HB   ASP  37          3HB       ASP  37  -5.608  -6.670   1.410
  303    H    SER  38           HN       SER  38  -6.346  -8.060  -1.831
  304    HA   SER  38           HA       SER  38  -8.921  -7.579  -3.177
  305   1HB   SER  38          2HB       SER  38  -6.312  -8.672  -4.124
  306   2HB   SER  38          3HB       SER  38  -7.786  -9.321  -4.843
  307    HG   SER  38           HG       SER  38  -7.116  -7.552  -6.039
  308    H    LYS  39           HN       LYS  39  -6.888 -10.469  -2.833
  309    HA   LYS  39           HA       LYS  39  -8.658 -11.815  -1.064
  310   1HB   LYS  39          2HB       LYS  39  -9.320 -13.601  -2.747
  311   2HB   LYS  39          3HB       LYS  39 -10.148 -12.057  -2.886
  312   1HG   LYS  39          2HG       LYS  39  -9.466 -11.810  -4.977
  313   2HG   LYS  39          3HG       LYS  39  -7.782 -12.053  -4.509
  314   1HD   LYS  39          2HD       LYS  39  -8.851 -14.592  -4.375
  315   2HD   LYS  39          3HD       LYS  39  -9.653 -13.888  -5.780
  316   1HE   LYS  39          2HE       LYS  39  -6.827 -13.261  -5.732
  317   2HE   LYS  39          3HE       LYS  39  -7.107 -15.002  -5.693
  318   1HZ   LYS  39          1HZ       LYS  39  -7.588 -13.100  -7.820
  319   2HZ   LYS  39          2HZ       LYS  39  -8.829 -14.226  -7.588
  320   3HZ   LYS  39          3HZ       LYS  39  -7.255 -14.757  -7.903
  321    H    MET  40           HN       MET  40  -5.824 -11.252  -1.460
  322    HA   MET  40           HA       MET  40  -4.842 -13.992  -1.175
  323   1HB   MET  40          2HB       MET  40  -3.524 -11.920  -2.942
  324   2HB   MET  40          3HB       MET  40  -2.855 -13.498  -2.550
  325   1HG   MET  40          2HG       MET  40  -4.302 -14.611  -3.918
  326   2HG   MET  40          3HG       MET  40  -5.553 -13.376  -3.785
  327   1HE   MET  40          1HE       MET  40  -2.029 -13.624  -6.619
  328   2HE   MET  40          2HE       MET  40  -2.364 -14.582  -5.177
  329   3HE   MET  40          3HE       MET  40  -3.329 -14.814  -6.635
  330    H    ASN  41           HN       ASN  41  -2.356 -13.782  -0.544
  331    HA   ASN  41           HA       ASN  41  -2.331 -12.389   1.943
  332   1HB   ASN  41          2HB       ASN  41  -1.176 -14.556   1.570
  333   2HB   ASN  41          3HB       ASN  41  -0.037 -13.741   0.504
  334   1HD2  ASN  41          1HD2      ASN  41  -1.429 -13.132   3.716
  335   2HD2  ASN  41          2HD2      ASN  41   0.080 -12.816   4.495
  336    H    THR  42           HN       THR  42  -1.467 -11.526  -1.253
  337    HA   THR  42           HA       THR  42   0.143  -9.274  -0.261
  338    HB   THR  42           HB       THR  42   0.372  -9.159  -2.993
  339    HG1  THR  42           1HG      THR  42  -0.490 -11.146  -3.427
  340   1HG2  THR  42          1HG2      THR  42   2.526 -10.713  -2.185
  341   2HG2  THR  42          2HG2      THR  42   2.019  -9.877  -0.717
  342   3HG2  THR  42          3HG2      THR  42   2.435  -8.952  -2.160
  343    H    HIS  43           HN       HIS  43  -0.354  -7.222  -0.744
  344    HA   HIS  43           HA       HIS  43  -2.611  -6.539  -2.448
  345   1HB   HIS  43          2HB       HIS  43  -3.490  -5.096  -0.467
  346   2HB   HIS  43          3HB       HIS  43  -3.875  -6.813  -0.479
  347    HD1  HIS  43           1HD      HIS  43  -1.849  -8.237   0.850
  348    HD2  HIS  43           2HD      HIS  43  -2.597  -4.311   1.967
  349    HE1  HIS  43           1HE      HIS  43  -0.878  -7.984   3.130
  350    HE2  HIS  43           2HE      HIS  43  -1.226  -5.575   3.744
  351    H    SER  44           HN       SER  44  -2.902  -3.900  -1.783
  352    HA   SER  44           HA       SER  44  -0.321  -2.710  -1.368
  353   1HB   SER  44          2HB       SER  44  -0.216  -1.483  -3.491
  354   2HB   SER  44          3HB       SER  44  -0.129  -3.230  -3.741
  355    HG   SER  44           HG       SER  44  -2.689  -2.533  -3.805
  356    H    CYS  45           HN       CYS  45  -1.255  -0.223  -2.794
  357    HA   CYS  45           HA       CYS  45  -3.048   0.679  -0.652
  358   1HB   CYS  45          2HB       CYS  45  -1.293   2.329  -2.478
  359   2HB   CYS  45          3HB       CYS  45  -2.210   2.920  -1.095
  360    H    ASP  46           HN       ASP  46  -4.294   2.776  -1.444
  361    HA   ASP  46           HA       ASP  46  -5.365   2.502  -4.128
  362   1HB   ASP  46          2HB       ASP  46  -6.658   0.947  -2.528
  363   2HB   ASP  46          3HB       ASP  46  -7.309   2.427  -1.830
  364    H    CYS  47           HN       CYS  47  -3.850   4.539  -3.123
  365    HA   CYS  47           HA       CYS  47  -5.312   6.690  -2.013
  366   1HB   CYS  47          2HB       CYS  47  -3.030   7.203  -3.857
  367   2HB   CYS  47          3HB       CYS  47  -3.399   7.944  -2.303
  368    H    LYS  48           HN       LYS  48  -5.092   5.361  -5.129
  369    HA   LYS  48           HA       LYS  48  -6.786   7.514  -6.170
  370   1HB   LYS  48          2HB       LYS  48  -4.183   6.571  -7.227
  371   2HB   LYS  48          3HB       LYS  48  -5.449   6.864  -8.410
  372   1HG   LYS  48          2HG       LYS  48  -4.973   8.967  -6.380
  373   2HG   LYS  48          3HG       LYS  48  -3.754   8.750  -7.636
  374   1HD   LYS  48          2HD       LYS  48  -6.626   8.892  -8.424
  375   2HD   LYS  48          3HD       LYS  48  -5.786  10.382  -7.990
  376   1HE   LYS  48          2HE       LYS  48  -4.715   8.426 -10.010
  377   2HE   LYS  48          3HE       LYS  48  -5.776   9.765 -10.444
  378   1HZ   LYS  48          1HZ       LYS  48  -4.114  11.218 -10.270
  379   2HZ   LYS  48          2HZ       LYS  48  -3.075   9.883 -10.293
  380   3HZ   LYS  48          3HZ       LYS  48  -3.546  10.561  -8.817
  381    H    SER  49           HN       SER  49  -8.159   6.927  -7.831
  382    HA   SER  49           HA       SER  49  -9.156   4.252  -7.619
  383   1HB   SER  49          2HB       SER  49 -11.043   5.031  -8.727
  384   2HB   SER  49          3HB       SER  49 -10.430   6.511  -7.988
  385    HG   SER  49           HG       SER  49 -10.057   7.292  -9.901
  386    H    CYS  50           HN       CYS  50  -6.554   4.260  -8.605
  387    HA   CYS  50           HA       CYS  50  -6.459   3.987 -11.434
  388   1HB   CYS  50          2HB       CYS  50  -4.232   2.854 -10.912
  389   2HB   CYS  50          3HB       CYS  50  -4.412   4.519 -10.367
  Start of MODEL   24
    1   1H    ASN   1          1H        ASN   1   0.399  19.484  -6.828
    2   2H    ASN   1          2H        ASN   1   1.136  18.875  -5.432
    3   3H    ASN   1          3H        ASN   1  -0.548  18.824  -5.590
    4    HA   ASN   1           HA       ASN   1   1.259  17.419  -7.458
    5   1HB   ASN   1          2HB       ASN   1   0.311  16.677  -4.729
    6   2HB   ASN   1          3HB       ASN   1   0.368  15.410  -5.950
    7   1HD2  ASN   1          1HD2      ASN   1   1.939  15.774  -3.510
    8   2HD2  ASN   1          2HD2      ASN   1   3.592  15.783  -4.012
    9    H    LEU   2           HN       LEU   2  -1.872  18.307  -6.310
   10    HA   LEU   2           HA       LEU   2  -3.970  18.033  -7.132
   11   1HB   LEU   2          2HB       LEU   2  -2.240  18.037  -9.397
   12   2HB   LEU   2          3HB       LEU   2  -3.500  16.852  -9.680
   13    HG   LEU   2           HG       LEU   2  -4.047  19.081 -10.593
   14   1HD1  LEU   2          1HD1      LEU   2  -5.678  17.491  -8.826
   15   2HD1  LEU   2          2HD1      LEU   2  -6.189  19.179  -8.823
   16   3HD1  LEU   2          3HD1      LEU   2  -6.103  18.287 -10.342
   17   1HD2  LEU   2          1HD2      LEU   2  -4.130  20.992  -9.373
   18   2HD2  LEU   2          2HD2      LEU   2  -4.568  20.155  -7.883
   19   3HD2  LEU   2          3HD2      LEU   2  -2.895  20.145  -8.442
   20    H    MET   3           HN       MET   3  -2.729  15.403  -9.111
   21    HA   MET   3           HA       MET   3  -4.555  13.569  -7.792
   22   1HB   MET   3          2HB       MET   3  -3.793  11.992  -9.604
   23   2HB   MET   3          3HB       MET   3  -4.572  13.463 -10.172
   24   1HG   MET   3          2HG       MET   3  -2.828  13.580 -11.561
   25   2HG   MET   3          3HG       MET   3  -1.980  14.235 -10.162
   26   1HE   MET   3          1HE       MET   3  -0.088  13.206  -8.989
   27   2HE   MET   3          2HE       MET   3   0.920  12.020  -9.821
   28   3HE   MET   3          3HE       MET   3   0.498  13.534 -10.620
   29    H    LYS   4           HN       LYS   4  -3.530  11.180  -7.774
   30    HA   LYS   4           HA       LYS   4  -0.873  11.228  -6.574
   31   1HB   LYS   4          2HB       LYS   4  -3.135  11.252  -4.982
   32   2HB   LYS   4          3HB       LYS   4  -2.731   9.543  -5.074
   33   1HG   LYS   4          2HG       LYS   4  -0.835  11.723  -4.233
   34   2HG   LYS   4          3HG       LYS   4  -1.712  10.649  -3.139
   35   1HD   LYS   4          2HD       LYS   4  -0.152   9.086  -3.380
   36   2HD   LYS   4          3HD       LYS   4  -0.404   9.088  -5.128
   37   1HE   LYS   4          2HE       LYS   4   1.908   9.572  -4.680
   38   2HE   LYS   4          3HE       LYS   4   1.129  11.027  -5.298
   39   1HZ   LYS   4          1HZ       LYS   4   2.493  10.668  -2.867
   40   2HZ   LYS   4          2HZ       LYS   4   0.884  11.060  -2.524
   41   3HZ   LYS   4          3HZ       LYS   4   1.815  12.085  -3.496
   42    H    ARG   5           HN       ARG   5   0.202   9.224  -6.641
   43    HA   ARG   5           HA       ARG   5  -1.001   7.310  -8.515
   44   1HB   ARG   5          2HB       ARG   5   1.422   6.476  -8.666
   45   2HB   ARG   5          3HB       ARG   5   1.050   8.033  -9.394
   46   1HG   ARG   5          2HG       ARG   5   1.947   9.164  -7.416
   47   2HG   ARG   5          3HG       ARG   5   2.337   7.597  -6.705
   48   1HD   ARG   5          2HD       ARG   5   4.066   9.082  -8.161
   49   2HD   ARG   5          3HD       ARG   5   4.165   7.331  -7.988
   50    HE   ARG   5           HE       ARG   5   3.040   8.757 -10.304
   51   1HH1  ARG   5          2HH1      ARG   5   4.360   5.886  -8.837
   52   2HH1  ARG   5          1HH1      ARG   5   4.475   5.019 -10.331
   53   1HH2  ARG   5          2HH2      ARG   5   3.187   7.624 -12.277
   54   2HH2  ARG   5          1HH2      ARG   5   3.809   6.008 -12.288
   55    H    CYS   6           HN       CYS   6  -2.274   6.189  -6.985
   56    HA   CYS   6           HA       CYS   6  -1.495   5.167  -4.545
   57   1HB   CYS   6          2HB       CYS   6  -3.300   3.615  -4.735
   58   2HB   CYS   6          3HB       CYS   6  -3.797   5.073  -5.586
   59    H    THR   7           HN       THR   7  -0.453   3.331  -3.824
   60    HA   THR   7           HA       THR   7   1.016   1.609  -3.818
   61    HB   THR   7           HB       THR   7   0.601  -0.197  -5.154
   62    HG1  THR   7           1HG      THR   7  -0.058   0.106  -7.422
   63   1HG2  THR   7          1HG2      THR   7  -1.842   1.309  -6.024
   64   2HG2  THR   7          2HG2      THR   7  -1.586   0.903  -4.327
   65   3HG2  THR   7          3HG2      THR   7  -1.691  -0.378  -5.534
   66    H    ARG   8           HN       ARG   8   3.067   0.988  -4.471
   67    HA   ARG   8           HA       ARG   8   4.405   2.869  -6.285
   68   1HB   ARG   8          2HB       ARG   8   5.149   1.432  -3.835
   69   2HB   ARG   8          3HB       ARG   8   6.374   1.345  -5.093
   70   1HG   ARG   8          2HG       ARG   8   7.023   3.430  -4.707
   71   2HG   ARG   8          3HG       ARG   8   5.363   4.032  -4.772
   72   1HD   ARG   8          2HD       ARG   8   6.256   4.479  -2.586
   73   2HD   ARG   8          3HD       ARG   8   5.032   3.219  -2.456
   74    HE   ARG   8           HE       ARG   8   6.659   1.733  -1.807
   75   1HH1  ARG   8          2HH1      ARG   8   8.154   4.636  -3.027
   76   2HH1  ARG   8          1HH1      ARG   8   9.744   4.190  -2.504
   77   1HH2  ARG   8          2HH2      ARG   8   8.749   1.139  -1.115
   78   2HH2  ARG   8          1HH2      ARG   8  10.082   2.202  -1.419
   79    H    GLY   9           HN       GLY   9   2.743   0.726  -7.174
   80   1HA   GLY   9          1HA       GLY   9   3.159  -0.437  -9.268
   81   2HA   GLY   9          2HA       GLY   9   4.730  -0.903  -8.621
   82    H    PHE  10           HN       PHE  10   2.124  -0.913  -6.427
   83    HA   PHE  10           HA       PHE  10   0.992  -2.541  -5.318
   84   1HB   PHE  10          2HB       PHE  10   0.577  -3.116  -7.953
   85   2HB   PHE  10          3HB       PHE  10   1.310  -4.615  -7.393
   86    HD1  PHE  10           1HD      PHE  10   0.299  -5.359  -4.977
   87    HD2  PHE  10           2HD      PHE  10  -1.701  -3.077  -7.962
   88    HE1  PHE  10           1HE      PHE  10  -1.872  -6.081  -4.071
   89    HE2  PHE  10           2HE      PHE  10  -3.874  -3.793  -7.060
   90    HZ   PHE  10           HZ       PHE  10  -3.962  -5.297  -5.112
   91    H    ARG  11           HN       ARG  11   2.699  -2.769  -3.766
   92    HA   ARG  11           HA       ARG  11   3.885  -5.389  -3.881
   93   1HB   ARG  11          2HB       ARG  11   6.188  -4.617  -3.518
   94   2HB   ARG  11          3HB       ARG  11   5.551  -4.092  -5.068
   95   1HG   ARG  11          2HG       ARG  11   6.095  -2.011  -4.562
   96   2HG   ARG  11          3HG       ARG  11   4.964  -2.054  -3.207
   97   1HD   ARG  11          2HD       ARG  11   6.625  -2.110  -1.732
   98   2HD   ARG  11          3HD       ARG  11   7.385  -3.467  -2.562
   99    HE   ARG  11           HE       ARG  11   7.830  -0.641  -3.284
  100   1HH1  ARG  11          2HH1      ARG  11   8.935  -3.927  -2.922
  101   2HH1  ARG  11          1HH1      ARG  11  10.551  -3.576  -3.435
  102   1HH2  ARG  11          2HH2      ARG  11   9.957  -0.171  -3.960
  103   2HH2  ARG  11          1HH2      ARG  11  11.133  -1.441  -4.025
  104    H    LYS  12           HN       LYS  12   1.999  -4.663  -2.128
  105    HA   LYS  12           HA       LYS  12   3.456  -4.316   0.413
  106   1HB   LYS  12          2HB       LYS  12   0.543  -3.778  -0.248
  107   2HB   LYS  12          3HB       LYS  12   1.195  -3.744   1.379
  108   1HG   LYS  12          2HG       LYS  12   0.907  -1.503   0.308
  109   2HG   LYS  12          3HG       LYS  12   2.537  -1.837   0.892
  110   1HD   LYS  12          2HD       LYS  12   3.344  -2.194  -1.300
  111   2HD   LYS  12          3HD       LYS  12   1.712  -2.285  -1.965
  112   1HE   LYS  12          2HE       LYS  12   1.569   0.161  -0.966
  113   2HE   LYS  12          3HE       LYS  12   3.319   0.084  -1.164
  114   1HZ   LYS  12          1HZ       LYS  12   2.410   0.990  -3.139
  115   2HZ   LYS  12          2HZ       LYS  12   1.256  -0.240  -3.269
  116   3HZ   LYS  12          3HZ       LYS  12   2.894  -0.589  -3.511
  117    H    LEU  13           HN       LEU  13   2.803  -5.830   2.181
  118    HA   LEU  13           HA       LEU  13   1.248  -8.138   1.294
  119   1HB   LEU  13          2HB       LEU  13   3.194  -9.620   2.152
  120   2HB   LEU  13          3HB       LEU  13   3.237  -8.971   0.524
  121    HG   LEU  13           HG       LEU  13   4.513  -7.036   2.078
  122   1HD1  LEU  13          1HD1      LEU  13   6.113  -9.371   2.731
  123   2HD1  LEU  13          2HD1      LEU  13   5.672  -7.984   3.727
  124   3HD1  LEU  13          3HD1      LEU  13   4.566  -9.349   3.577
  125   1HD2  LEU  13          1HD2      LEU  13   6.479  -8.662   0.913
  126   2HD2  LEU  13          2HD2      LEU  13   5.056  -8.799  -0.121
  127   3HD2  LEU  13          3HD2      LEU  13   5.738  -7.212   0.235
  128    H    GLY  14           HN       GLY  14   0.674  -9.640   2.904
  129   1HA   GLY  14          1HA       GLY  14   0.663 -10.408   5.177
  130   2HA   GLY  14          2HA       GLY  14   1.134  -8.795   5.687
  131    H    LYS  15           HN       LYS  15  -1.491  -9.859   3.526
  132    HA   LYS  15           HA       LYS  15  -3.647  -8.992   3.440
  133   1HB   LYS  15          2HB       LYS  15  -3.225 -10.959   5.532
  134   2HB   LYS  15          3HB       LYS  15  -4.616  -9.940   5.877
  135   1HG   LYS  15          2HG       LYS  15  -4.645 -10.754   3.126
  136   2HG   LYS  15          3HG       LYS  15  -4.491 -12.161   4.182
  137   1HD   LYS  15          2HD       LYS  15  -6.623 -12.001   4.812
  138   2HD   LYS  15          3HD       LYS  15  -6.427 -10.297   5.228
  139   1HE   LYS  15          2HE       LYS  15  -7.277  -9.582   3.263
  140   2HE   LYS  15          3HE       LYS  15  -6.546 -10.900   2.348
  141   1HZ   LYS  15          1HZ       LYS  15  -8.270 -12.380   3.185
  142   2HZ   LYS  15          2HZ       LYS  15  -8.947 -11.073   2.352
  143   3HZ   LYS  15          3HZ       LYS  15  -8.977 -11.103   4.043
  144    H    CYS  16           HN       CYS  16  -3.157  -6.738   3.607
  145    HA   CYS  16           HA       CYS  16  -3.279  -4.649   4.474
  146   1HB   CYS  16          2HB       CYS  16  -5.669  -5.881   5.017
  147   2HB   CYS  16          3HB       CYS  16  -5.187  -5.299   6.609
  148    H    THR  17           HN       THR  17  -1.101  -5.678   5.309
  149    HA   THR  17           HA       THR  17  -0.853  -5.878   8.162
  150    HB   THR  17           HB       THR  17   0.888  -6.216   5.806
  151    HG1  THR  17           1HG      THR  17  -0.017  -7.635   7.867
  152   1HG2  THR  17          1HG2      THR  17   1.942  -5.053   8.366
  153   2HG2  THR  17          2HG2      THR  17   2.367  -4.654   6.701
  154   3HG2  THR  17          3HG2      THR  17   2.931  -6.163   7.417
  155    H    THR  18           HN       THR  18   0.398  -4.459   9.495
  156    HA   THR  18           HA       THR  18  -0.227  -1.774   9.318
  157    HB   THR  18           HB       THR  18   1.816  -3.305  10.866
  158    HG1  THR  18           1HG      THR  18  -0.513  -2.869  11.420
  159   1HG2  THR  18          1HG2      THR  18   1.664  -0.310  11.093
  160   2HG2  THR  18          2HG2      THR  18   2.850  -1.103  10.057
  161   3HG2  THR  18          3HG2      THR  18   2.852  -1.409  11.795
  162    H    LEU  19           HN       LEU  19   2.917  -3.285   8.556
  163    HA   LEU  19           HA       LEU  19   4.277  -1.053   7.685
  164   1HB   LEU  19          2HB       LEU  19   4.674  -3.830   7.640
  165   2HB   LEU  19          3HB       LEU  19   4.879  -3.300   5.982
  166    HG   LEU  19           HG       LEU  19   6.998  -3.387   7.272
  167   1HD1  LEU  19          1HD1      LEU  19   7.242  -2.010   5.463
  168   2HD1  LEU  19          2HD1      LEU  19   5.972  -0.907   5.990
  169   3HD1  LEU  19          3HD1      LEU  19   7.554  -0.866   6.768
  170   1HD2  LEU  19          1HD2      LEU  19   6.834  -2.715   9.404
  171   2HD2  LEU  19          2HD2      LEU  19   7.046  -1.093   8.746
  172   3HD2  LEU  19          3HD2      LEU  19   5.426  -1.706   9.079
  173    H    GLU  20           HN       GLU  20   1.705  -2.744   6.112
  174    HA   GLU  20           HA       GLU  20   2.262  -1.624   3.522
  175   1HB   GLU  20          2HB       GLU  20  -0.366  -2.837   4.338
  176   2HB   GLU  20          3HB       GLU  20   0.368  -2.787   2.741
  177   1HG   GLU  20          2HG       GLU  20   0.943  -4.582   5.039
  178   2HG   GLU  20          3HG       GLU  20   0.698  -4.974   3.339
  179    H    GLU  21           HN       GLU  21  -0.168  -1.070   6.069
  180    HA   GLU  21           HA       GLU  21  -1.475   1.063   4.745
  181   1HB   GLU  21          2HB       GLU  21  -2.576   1.496   6.800
  182   2HB   GLU  21          3HB       GLU  21  -2.332  -0.243   6.753
  183   1HG   GLU  21          2HG       GLU  21  -0.812  -0.219   8.448
  184   2HG   GLU  21          3HG       GLU  21  -0.281   1.425   8.097
  185    H    GLU  22           HN       GLU  22   1.332   0.830   6.806
  186    HA   GLU  22           HA       GLU  22   1.737   3.593   7.245
  187   1HB   GLU  22          2HB       GLU  22   3.170   1.094   7.735
  188   2HB   GLU  22          3HB       GLU  22   4.246   2.416   7.310
  189   1HG   GLU  22          2HG       GLU  22   2.323   3.339   9.205
  190   2HG   GLU  22          3HG       GLU  22   3.073   1.859   9.800
  191    H    LYS  23           HN       LYS  23   2.837   1.279   4.806
  192    HA   LYS  23           HA       LYS  23   4.632   2.841   3.400
  193   1HB   LYS  23          2HB       LYS  23   4.244   0.484   2.854
  194   2HB   LYS  23          3HB       LYS  23   2.616   0.859   2.307
  195   1HG   LYS  23          2HG       LYS  23   3.405   1.203   0.253
  196   2HG   LYS  23          3HG       LYS  23   4.429   2.504   0.878
  197   1HD   LYS  23          2HD       LYS  23   5.794   0.860  -0.231
  198   2HD   LYS  23          3HD       LYS  23   6.130   0.828   1.496
  199   1HE   LYS  23          2HE       LYS  23   3.999  -0.994   0.785
  200   2HE   LYS  23          3HE       LYS  23   5.468  -1.333  -0.129
  201   1HZ   LYS  23          1HZ       LYS  23   4.939  -1.642   2.702
  202   2HZ   LYS  23          2HZ       LYS  23   6.453  -0.988   2.328
  203   3HZ   LYS  23          3HZ       LYS  23   6.004  -2.492   1.699
  204    H    CYS  24           HN       CYS  24   1.230   2.351   2.529
  205    HA   CYS  24           HA       CYS  24   0.962   4.334   0.671
  206   1HB   CYS  24          2HB       CYS  24  -1.183   3.602   2.651
  207   2HB   CYS  24          3HB       CYS  24  -1.388   4.142   0.986
  208    H    LYS  25           HN       LYS  25   1.074   4.685   4.146
  209    HA   LYS  25           HA       LYS  25   0.000   7.337   4.174
  210   1HB   LYS  25          2HB       LYS  25   0.751   5.385   6.099
  211   2HB   LYS  25          3HB       LYS  25   1.619   6.868   6.473
  212   1HG   LYS  25          2HG       LYS  25  -0.516   6.724   7.655
  213   2HG   LYS  25          3HG       LYS  25  -0.463   8.103   6.556
  214   1HD   LYS  25          2HD       LYS  25  -1.534   5.624   5.393
  215   2HD   LYS  25          3HD       LYS  25  -2.506   6.319   6.691
  216   1HE   LYS  25          2HE       LYS  25  -1.870   8.519   5.186
  217   2HE   LYS  25          3HE       LYS  25  -2.057   7.265   3.960
  218   1HZ   LYS  25          1HZ       LYS  25  -4.211   7.833   4.132
  219   2HZ   LYS  25          2HZ       LYS  25  -4.047   8.485   5.683
  220   3HZ   LYS  25          3HZ       LYS  25  -4.198   6.813   5.481
  221    H    THR  26           HN       THR  26   3.247   6.355   5.262
  222    HA   THR  26           HA       THR  26   4.385   8.885   5.006
  223    HB   THR  26           HB       THR  26   6.587   7.709   5.069
  224    HG1  THR  26           1HG      THR  26   5.494   5.254   5.584
  225   1HG2  THR  26          1HG2      THR  26   4.618   7.888   7.037
  226   2HG2  THR  26          2HG2      THR  26   6.344   7.625   7.286
  227   3HG2  THR  26          3HG2      THR  26   5.250   6.246   7.174
  228    H    LEU  27           HN       LEU  27   3.729   6.528   2.575
  229    HA   LEU  27           HA       LEU  27   5.659   7.584   0.689
  230   1HB   LEU  27          2HB       LEU  27   3.585   5.429   0.607
  231   2HB   LEU  27          3HB       LEU  27   4.248   6.046  -0.887
  232    HG   LEU  27           HG       LEU  27   5.344   3.981  -0.147
  233   1HD1  LEU  27          1HD1      LEU  27   6.492   6.214  -1.172
  234   2HD1  LEU  27          2HD1      LEU  27   7.538   5.865   0.206
  235   3HD1  LEU  27          3HD1      LEU  27   7.268   4.637  -1.029
  236   1HD2  LEU  27          1HD2      LEU  27   6.139   5.639   2.233
  237   2HD2  LEU  27          2HD2      LEU  27   5.178   4.160   2.222
  238   3HD2  LEU  27          3HD2      LEU  27   6.888   4.102   1.796
  239    H    TYR  28           HN       TYR  28   2.140   7.593   1.130
  240    HA   TYR  28           HA       TYR  28   2.004   9.850  -0.755
  241   1HB   TYR  28          2HB       TYR  28  -0.245   7.885  -0.561
  242   2HB   TYR  28          3HB       TYR  28   0.210   8.930  -1.904
  243    HD1  TYR  28           1HD      TYR  28   0.643   5.690  -0.350
  244    HD2  TYR  28           2HD      TYR  28   2.165   8.295  -3.345
  245    HE1  TYR  28           1HE      TYR  28   1.822   3.805  -1.376
  246    HE2  TYR  28           2HE      TYR  28   3.335   6.407  -4.393
  247    HH   TYR  28           HH       TYR  28   3.505   4.154  -4.445
  248    HA   PRO  29           HA       PRO  29  -0.135  11.427   2.903
  249   1HB   PRO  29          2HB       PRO  29   0.140  14.033   2.345
  250   2HB   PRO  29          3HB       PRO  29   1.508  13.067   2.912
  251   1HG   PRO  29          2HG       PRO  29   0.833  13.956   0.140
  252   2HG   PRO  29          3HG       PRO  29   2.413  13.879   0.938
  253   1HD   PRO  29          2HD       PRO  29   1.442  11.978  -0.818
  254   2HD   PRO  29          3HD       PRO  29   2.703  11.681   0.393
  255    H    ARG  30           HN       ARG  30  -1.843  10.312   1.242
  256    HA   ARG  30           HA       ARG  30  -3.613  12.375   0.150
  257   1HB   ARG  30          2HB       ARG  30  -2.886   9.729  -0.649
  258   2HB   ARG  30          3HB       ARG  30  -4.618   9.766  -0.350
  259   1HG   ARG  30          2HG       ARG  30  -3.346  11.898  -2.013
  260   2HG   ARG  30          3HG       ARG  30  -3.695  10.315  -2.713
  261   1HD   ARG  30          2HD       ARG  30  -5.768  11.034  -3.079
  262   2HD   ARG  30          3HD       ARG  30  -6.009  11.008  -1.333
  263    HE   ARG  30           HE       ARG  30  -4.854  13.418  -1.773
  264   1HH1  ARG  30          2HH1      ARG  30  -7.615  11.798  -3.145
  265   2HH1  ARG  30          1HH1      ARG  30  -8.483  13.264  -3.455
  266   1HH2  ARG  30          2HH2      ARG  30  -5.988  15.353  -2.176
  267   2HH2  ARG  30          1HH2      ARG  30  -7.558  15.285  -2.905
  268    H    GLY  31           HN       GLY  31  -5.966  11.973   0.365
  269   1HA   GLY  31          1HA       GLY  31  -6.601  11.348   3.156
  270   2HA   GLY  31          2HA       GLY  31  -7.620  12.252   2.040
  271    H    GLN  32           HN       GLN  32  -6.730  10.011   0.070
  272    HA   GLN  32           HA       GLN  32  -8.733   8.032   0.926
  273   1HB   GLN  32          2HB       GLN  32  -8.222   8.248  -1.971
  274   2HB   GLN  32          3HB       GLN  32  -9.742   8.061  -1.105
  275   1HG   GLN  32          2HG       GLN  32  -8.306  10.676  -1.042
  276   2HG   GLN  32          3HG       GLN  32  -9.271  10.227  -2.448
  277   1HE2  GLN  32          1HE2      GLN  32 -10.903  11.656  -2.221
  278   2HE2  GLN  32          2HE2      GLN  32 -11.995  11.681  -0.882
  279    H    CYS  33           HN       CYS  33  -5.689   8.303   1.056
  280    HA   CYS  33           HA       CYS  33  -4.924   5.892  -0.425
  281   1HB   CYS  33          2HB       CYS  33  -3.506   7.958  -0.606
  282   2HB   CYS  33          3HB       CYS  33  -3.127   7.782   1.102
  283    H    THR  34           HN       THR  34  -4.527   4.015   0.559
  284    HA   THR  34           HA       THR  34  -3.676   3.755   3.241
  285    HB   THR  34           HB       THR  34  -6.049   4.534   3.541
  286    HG1  THR  34           1HG      THR  34  -4.728   2.548   4.756
  287   1HG2  THR  34          1HG2      THR  34  -7.796   2.734   3.264
  288   2HG2  THR  34          2HG2      THR  34  -6.623   1.847   2.290
  289   3HG2  THR  34          3HG2      THR  34  -7.188   3.432   1.763
  290    H    CYS  35           HN       CYS  35  -5.172   1.208   3.656
  291    HA   CYS  35           HA       CYS  35  -3.563  -0.407   1.823
  292   1HB   CYS  35          2HB       CYS  35  -3.117  -1.157   3.966
  293   2HB   CYS  35          3HB       CYS  35  -4.761  -0.867   4.524
  294    H    SER  36           HN       SER  36  -4.419  -1.479   0.198
  295    HA   SER  36           HA       SER  36  -7.293  -2.106   0.250
  296   1HB   SER  36          2HB       SER  36  -7.118  -0.304  -1.289
  297   2HB   SER  36          3HB       SER  36  -5.655  -0.969  -2.016
  298    HG   SER  36           HG       SER  36  -8.069  -2.418  -2.072
  299    H    ASP  37           HN       ASP  37  -7.804  -4.146  -0.175
  300    HA   ASP  37           HA       ASP  37  -6.000  -5.850  -1.699
  301   1HB   ASP  37          2HB       ASP  37  -5.364  -6.000   0.752
  302   2HB   ASP  37          3HB       ASP  37  -6.953  -6.708   1.038
  303    H    SER  38           HN       SER  38  -7.006  -8.011  -2.122
  304    HA   SER  38           HA       SER  38  -9.920  -7.703  -2.401
  305   1HB   SER  38          2HB       SER  38  -8.746  -7.840  -4.544
  306   2HB   SER  38          3HB       SER  38  -7.986  -9.353  -4.050
  307    HG   SER  38           HG       SER  38  -9.709 -10.341  -4.701
  308    H    LYS  39           HN       LYS  39  -7.678 -10.468  -2.411
  309    HA   LYS  39           HA       LYS  39  -8.675 -11.595  -0.007
  310   1HB   LYS  39          2HB       LYS  39 -10.492 -11.946  -1.929
  311   2HB   LYS  39          3HB       LYS  39  -9.449 -13.306  -2.318
  312   1HG   LYS  39          2HG       LYS  39  -9.835 -14.342  -0.262
  313   2HG   LYS  39          3HG       LYS  39 -10.464 -12.863   0.466
  314   1HD   LYS  39          2HD       LYS  39 -12.522 -13.500  -0.078
  315   2HD   LYS  39          3HD       LYS  39 -12.074 -13.430  -1.783
  316   1HE   LYS  39          2HE       LYS  39 -11.624 -15.692  -1.894
  317   2HE   LYS  39          3HE       LYS  39 -11.341 -15.826  -0.159
  318   1HZ   LYS  39          1HZ       LYS  39 -13.958 -15.514  -1.523
  319   2HZ   LYS  39          2HZ       LYS  39 -13.754 -15.428   0.154
  320   3HZ   LYS  39          3HZ       LYS  39 -13.406 -16.865  -0.668
  321    H    MET  40           HN       MET  40  -6.147 -11.089  -0.750
  322    HA   MET  40           HA       MET  40  -5.023 -13.778  -0.994
  323   1HB   MET  40          2HB       MET  40  -4.457 -11.448  -2.786
  324   2HB   MET  40          3HB       MET  40  -3.168 -12.589  -2.426
  325   1HG   MET  40          2HG       MET  40  -4.265 -14.351  -3.473
  326   2HG   MET  40          3HG       MET  40  -5.826 -13.532  -3.422
  327   1HE   MET  40          1HE       MET  40  -5.607 -14.757  -5.886
  328   2HE   MET  40          2HE       MET  40  -4.784 -13.993  -7.247
  329   3HE   MET  40          3HE       MET  40  -3.857 -14.905  -6.056
  330    H    ASN  41           HN       ASN  41  -2.431 -13.387  -0.797
  331    HA   ASN  41           HA       ASN  41  -2.122 -12.304   1.860
  332   1HB   ASN  41          2HB       ASN  41  -1.056 -14.430   1.271
  333   2HB   ASN  41          3HB       ASN  41  -0.117 -13.626   0.018
  334   1HD2  ASN  41          1HD2      ASN  41   1.865 -14.068   0.852
  335   2HD2  ASN  41          2HD2      ASN  41   2.449 -13.403   2.335
  336    H    THR  42           HN       THR  42  -1.428 -11.314  -1.395
  337    HA   THR  42           HA       THR  42   0.211  -9.100  -0.373
  338    HB   THR  42           HB       THR  42   0.356  -8.888  -3.108
  339    HG1  THR  42           1HG      THR  42   0.178 -11.629  -2.361
  340   1HG2  THR  42          1HG2      THR  42   2.544 -10.398  -2.532
  341   2HG2  THR  42          2HG2      THR  42   2.067  -9.859  -0.922
  342   3HG2  THR  42          3HG2      THR  42   2.402  -8.675  -2.186
  343    H    HIS  43           HN       HIS  43  -0.249  -7.029  -0.790
  344    HA   HIS  43           HA       HIS  43  -2.566  -6.227  -2.359
  345   1HB   HIS  43          2HB       HIS  43  -3.235  -4.794  -0.263
  346   2HB   HIS  43          3HB       HIS  43  -3.752  -6.475  -0.344
  347    HD1  HIS  43           1HD      HIS  43  -1.925  -8.151   0.863
  348    HD2  HIS  43           2HD      HIS  43  -2.010  -4.185   2.085
  349    HE1  HIS  43           1HE      HIS  43  -0.788  -8.099   3.082
  350    HE2  HIS  43           2HE      HIS  43  -0.849  -5.699   3.816
  351    H    SER  44           HN       SER  44  -2.705  -3.598  -1.761
  352    HA   SER  44           HA       SER  44  -0.094  -2.509  -1.298
  353   1HB   SER  44          2HB       SER  44   0.124  -1.292  -3.421
  354   2HB   SER  44          3HB       SER  44   0.215  -3.045  -3.632
  355    HG   SER  44           HG       SER  44  -2.282  -2.587  -3.924
  356    H    CYS  45           HN       CYS  45  -1.140  -0.118  -3.009
  357    HA   CYS  45           HA       CYS  45  -2.754   0.990  -0.816
  358   1HB   CYS  45          2HB       CYS  45  -1.023   2.447  -2.820
  359   2HB   CYS  45          3HB       CYS  45  -1.874   3.179  -1.459
  360    H    ASP  46           HN       ASP  46  -4.093   2.952  -1.578
  361    HA   ASP  46           HA       ASP  46  -5.246   2.661  -4.225
  362   1HB   ASP  46          2HB       ASP  46  -6.428   1.066  -2.550
  363   2HB   ASP  46          3HB       ASP  46  -7.126   2.537  -1.879
  364    H    CYS  47           HN       CYS  47  -3.738   4.701  -2.999
  365    HA   CYS  47           HA       CYS  47  -5.205   6.793  -1.888
  366   1HB   CYS  47          2HB       CYS  47  -3.074   7.521  -3.804
  367   2HB   CYS  47          3HB       CYS  47  -3.313   8.042  -2.139
  368    H    LYS  48           HN       LYS  48  -5.082   5.588  -5.097
  369    HA   LYS  48           HA       LYS  48  -7.000   7.635  -5.906
  370   1HB   LYS  48          2HB       LYS  48  -4.292   7.534  -6.828
  371   2HB   LYS  48          3HB       LYS  48  -5.370   7.162  -8.166
  372   1HG   LYS  48          2HG       LYS  48  -5.950   9.515  -6.428
  373   2HG   LYS  48          3HG       LYS  48  -4.694   9.626  -7.663
  374   1HD   LYS  48          2HD       LYS  48  -6.287  10.057  -9.154
  375   2HD   LYS  48          3HD       LYS  48  -6.887   8.414  -8.916
  376   1HE   LYS  48          2HE       LYS  48  -8.788   9.417  -8.280
  377   2HE   LYS  48          3HE       LYS  48  -7.941   9.704  -6.760
  378   1HZ   LYS  48          1HZ       LYS  48  -9.027  11.614  -8.348
  379   2HZ   LYS  48          2HZ       LYS  48  -7.386  11.693  -8.753
  380   3HZ   LYS  48          3HZ       LYS  48  -7.870  11.883  -7.144
  381    H    SER  49           HN       SER  49  -8.034   7.131  -7.924
  382    HA   SER  49           HA       SER  49  -8.917   4.399  -7.928
  383   1HB   SER  49          2HB       SER  49 -10.677   5.138  -9.288
  384   2HB   SER  49          3HB       SER  49 -10.311   6.544  -8.288
  385    HG   SER  49           HG       SER  49  -9.961   6.156 -11.008
  386    H    CYS  50           HN       CYS  50  -6.298   4.315  -8.555
  387    HA   CYS  50           HA       CYS  50  -5.762   4.387 -11.350
  388   1HB   CYS  50          2HB       CYS  50  -4.075   2.601  -9.742
  389   2HB   CYS  50          3HB       CYS  50  -3.625   3.974 -10.747
  Start of MODEL   25
    1   1H    ASN   1          1H        ASN   1  -4.635  14.142 -16.550
    2   2H    ASN   1          2H        ASN   1  -3.295  14.900 -15.850
    3   3H    ASN   1          3H        ASN   1  -4.591  15.828 -16.413
    4    HA   ASN   1           HA       ASN   1  -4.901  15.804 -14.129
    5   1HB   ASN   1          2HB       ASN   1  -6.538  13.751 -15.594
    6   2HB   ASN   1          3HB       ASN   1  -6.843  14.082 -13.892
    7   1HD2  ASN   1          1HD2      ASN   1  -8.639  15.232 -13.815
    8   2HD2  ASN   1          2HD2      ASN   1  -8.973  16.649 -14.745
    9    H    LEU   2           HN       LEU   2  -3.458  15.222 -12.623
   10    HA   LEU   2           HA       LEU   2  -3.438  12.470 -11.716
   11   1HB   LEU   2          2HB       LEU   2  -1.534  13.102 -13.519
   12   2HB   LEU   2          3HB       LEU   2  -0.724  13.601 -12.046
   13    HG   LEU   2           HG       LEU   2  -1.197  11.280 -11.140
   14   1HD1  LEU   2          1HD1      LEU   2  -2.883  10.420 -12.493
   15   2HD1  LEU   2          2HD1      LEU   2  -2.087  10.937 -13.980
   16   3HD1  LEU   2          3HD1      LEU   2  -1.435   9.584 -13.056
   17   1HD2  LEU   2          1HD2      LEU   2   1.016  11.850 -11.820
   18   2HD2  LEU   2          2HD2      LEU   2   0.651  10.258 -12.486
   19   3HD2  LEU   2          3HD2      LEU   2   0.597  11.682 -13.525
   20    H    MET   3           HN       MET   3  -3.706  12.588  -9.594
   21    HA   MET   3           HA       MET   3  -2.653  14.927  -8.155
   22   1HB   MET   3          2HB       MET   3  -5.132  13.411  -7.990
   23   2HB   MET   3          3HB       MET   3  -4.353  13.574  -6.423
   24   1HG   MET   3          2HG       MET   3  -4.441  15.921  -6.505
   25   2HG   MET   3          3HG       MET   3  -4.831  15.925  -8.223
   26   1HE   MET   3          1HE       MET   3  -5.919  17.055  -5.347
   27   2HE   MET   3          2HE       MET   3  -7.662  16.837  -5.198
   28   3HE   MET   3          3HE       MET   3  -6.561  15.635  -4.522
   29    H    LYS   4           HN       LYS   4  -3.351  11.503  -7.422
   30    HA   LYS   4           HA       LYS   4  -0.790  11.400  -5.964
   31   1HB   LYS   4          2HB       LYS   4  -2.525   9.351  -5.029
   32   2HB   LYS   4          3HB       LYS   4  -1.886  10.727  -4.141
   33   1HG   LYS   4          2HG       LYS   4  -4.134  11.030  -3.864
   34   2HG   LYS   4          3HG       LYS   4  -3.848  12.006  -5.305
   35   1HD   LYS   4          2HD       LYS   4  -4.416   9.863  -6.610
   36   2HD   LYS   4          3HD       LYS   4  -5.094   9.286  -5.088
   37   1HE   LYS   4          2HE       LYS   4  -6.978  10.332  -5.656
   38   2HE   LYS   4          3HE       LYS   4  -6.124  11.846  -5.360
   39   1HZ   LYS   4          1HZ       LYS   4  -5.413  11.013  -7.907
   40   2HZ   LYS   4          2HZ       LYS   4  -6.400  12.322  -7.490
   41   3HZ   LYS   4          3HZ       LYS   4  -7.089  10.809  -7.800
   42    H    ARG   5           HN       ARG   5  -0.789   8.650  -5.460
   43    HA   ARG   5           HA       ARG   5  -1.084   7.264  -7.982
   44   1HB   ARG   5          2HB       ARG   5   1.389   6.517  -7.807
   45   2HB   ARG   5          3HB       ARG   5   1.027   8.084  -8.516
   46   1HG   ARG   5          2HG       ARG   5   1.333   8.718  -5.879
   47   2HG   ARG   5          3HG       ARG   5   2.504   7.413  -6.087
   48   1HD   ARG   5          2HD       ARG   5   3.279   9.822  -6.528
   49   2HD   ARG   5          3HD       ARG   5   3.702   8.582  -7.707
   50    HE   ARG   5           HE       ARG   5   1.739   9.427  -9.008
   51   1HH1  ARG   5          2HH1      ARG   5   3.405  11.474  -6.733
   52   2HH1  ARG   5          1HH1      ARG   5   2.967  12.944  -7.537
   53   1HH2  ARG   5          2HH2      ARG   5   1.156  11.353 -10.073
   54   2HH2  ARG   5          1HH2      ARG   5   1.686  12.875  -9.438
   55    H    CYS   6           HN       CYS   6  -2.423   5.822  -6.950
   56    HA   CYS   6           HA       CYS   6  -2.110   4.624  -4.482
   57   1HB   CYS   6          2HB       CYS   6  -3.338   2.637  -5.674
   58   2HB   CYS   6          3HB       CYS   6  -4.158   4.181  -5.473
   59    H    THR   7           HN       THR   7  -0.662   3.271  -3.636
   60    HA   THR   7           HA       THR   7   1.202   2.009  -3.429
   61    HB   THR   7           HB       THR   7  -0.466   0.284  -3.808
   62    HG1  THR   7           1HG      THR   7   1.206  -0.981  -3.626
   63   1HG2  THR   7          1HG2      THR   7   0.224   0.726  -6.691
   64   2HG2  THR   7          2HG2      THR   7  -1.365   0.669  -5.929
   65   3HG2  THR   7          3HG2      THR   7  -0.428  -0.813  -6.127
   66    H    ARG   8           HN       ARG   8   3.100   0.955  -4.438
   67    HA   ARG   8           HA       ARG   8   4.031   2.609  -6.677
   68   1HB   ARG   8          2HB       ARG   8   5.473   1.026  -4.552
   69   2HB   ARG   8          3HB       ARG   8   6.302   1.652  -5.972
   70   1HG   ARG   8          2HG       ARG   8   6.285   3.766  -5.214
   71   2HG   ARG   8          3HG       ARG   8   4.678   3.605  -4.504
   72   1HD   ARG   8          2HD       ARG   8   6.300   3.948  -2.759
   73   2HD   ARG   8          3HD       ARG   8   5.647   2.315  -2.651
   74    HE   ARG   8           HE       ARG   8   7.722   1.464  -3.261
   75   1HH1  ARG   8          2HH1      ARG   8   7.705   4.944  -3.446
   76   2HH1  ARG   8          1HH1      ARG   8   9.428   5.074  -3.564
   77   1HH2  ARG   8          2HH2      ARG   8   9.991   1.626  -3.416
   78   2HH2  ARG   8          1HH2      ARG   8  10.727   3.189  -3.548
   79    H    GLY   9           HN       GLY   9   2.272   0.724  -7.435
   80   1HA   GLY   9          1HA       GLY   9   2.207  -0.747  -9.262
   81   2HA   GLY   9          2HA       GLY   9   3.927  -1.046  -9.048
   82    H    PHE  10           HN       PHE  10   1.443  -1.183  -6.590
   83    HA   PHE  10           HA       PHE  10   0.677  -2.831  -5.245
   84   1HB   PHE  10          2HB       PHE  10  -0.153  -4.010  -7.101
   85   2HB   PHE  10          3HB       PHE  10   1.454  -4.439  -7.664
   86    HD1  PHE  10           1HD      PHE  10   1.769  -6.699  -7.603
   87    HD2  PHE  10           2HD      PHE  10  -0.352  -4.834  -4.427
   88    HE1  PHE  10           1HE      PHE  10   1.578  -8.871  -6.466
   89    HE2  PHE  10           2HE      PHE  10  -0.550  -7.005  -3.278
   90    HZ   PHE  10           HZ       PHE  10   0.418  -9.027  -4.300
   91    H    ARG  11           HN       ARG  11   2.134  -2.545  -3.556
   92    HA   ARG  11           HA       ARG  11   4.198  -4.566  -3.420
   93   1HB   ARG  11          2HB       ARG  11   4.935  -2.190  -4.356
   94   2HB   ARG  11          3HB       ARG  11   5.049  -1.833  -2.642
   95   1HG   ARG  11          2HG       ARG  11   6.324  -4.324  -3.551
   96   2HG   ARG  11          3HG       ARG  11   7.066  -2.807  -4.073
   97   1HD   ARG  11          2HD       ARG  11   6.878  -2.094  -1.637
   98   2HD   ARG  11          3HD       ARG  11   6.584  -3.797  -1.287
   99    HE   ARG  11           HE       ARG  11   8.794  -4.291  -1.960
  100   1HH1  ARG  11          2HH1      ARG  11   8.071  -0.882  -2.067
  101   2HH1  ARG  11          1HH1      ARG  11   9.734  -0.400  -2.094
  102   1HH2  ARG  11          2HH2      ARG  11  10.985  -3.663  -1.996
  103   2HH2  ARG  11          1HH2      ARG  11  11.390  -1.979  -2.053
  104    H    LYS  12           HN       LYS  12   2.018  -4.774  -1.893
  105    HA   LYS  12           HA       LYS  12   3.064  -4.165   0.775
  106   1HB   LYS  12          2HB       LYS  12   0.207  -3.751  -0.124
  107   2HB   LYS  12          3HB       LYS  12   0.734  -3.698   1.549
  108   1HG   LYS  12          2HG       LYS  12   0.577  -1.452   0.834
  109   2HG   LYS  12          3HG       LYS  12   2.296  -1.835   0.882
  110   1HD   LYS  12          2HD       LYS  12   2.534  -1.643  -1.357
  111   2HD   LYS  12          3HD       LYS  12   0.926  -2.283  -1.691
  112   1HE   LYS  12          2HE       LYS  12   1.794   0.422  -1.655
  113   2HE   LYS  12          3HE       LYS  12   0.198  -0.218  -2.040
  114   1HZ   LYS  12          1HZ       LYS  12   1.131   0.332   0.722
  115   2HZ   LYS  12          2HZ       LYS  12  -0.437  -0.067   0.234
  116   3HZ   LYS  12          3HZ       LYS  12   0.229   1.424  -0.203
  117    H    LEU  13           HN       LEU  13   2.423  -5.712   2.407
  118    HA   LEU  13           HA       LEU  13   0.983  -8.080   1.505
  119   1HB   LEU  13          2HB       LEU  13   2.970  -9.480   2.427
  120   2HB   LEU  13          3HB       LEU  13   3.015  -8.864   0.786
  121    HG   LEU  13           HG       LEU  13   4.193  -6.856   2.336
  122   1HD1  LEU  13          1HD1      LEU  13   4.840  -7.920   4.204
  123   2HD1  LEU  13          2HD1      LEU  13   4.641  -9.519   3.489
  124   3HD1  LEU  13          3HD1      LEU  13   6.101  -8.586   3.168
  125   1HD2  LEU  13          1HD2      LEU  13   4.702  -7.855   0.005
  126   2HD2  LEU  13          2HD2      LEU  13   6.029  -7.201   0.964
  127   3HD2  LEU  13          3HD2      LEU  13   5.773  -8.945   0.886
  128    H    GLY  14           HN       GLY  14   0.408  -9.562   3.177
  129   1HA   GLY  14          1HA       GLY  14   0.328 -10.268   5.449
  130   2HA   GLY  14          2HA       GLY  14   0.893  -8.678   5.933
  131    H    LYS  15           HN       LYS  15  -1.874  -9.850   3.978
  132    HA   LYS  15           HA       LYS  15  -4.000  -8.861   3.883
  133   1HB   LYS  15          2HB       LYS  15  -5.298  -9.746   5.848
  134   2HB   LYS  15          3HB       LYS  15  -4.309 -10.942   5.015
  135   1HG   LYS  15          2HG       LYS  15  -2.768  -9.743   7.085
  136   2HG   LYS  15          3HG       LYS  15  -4.313 -10.278   7.751
  137   1HD   LYS  15          2HD       LYS  15  -2.852 -12.130   5.938
  138   2HD   LYS  15          3HD       LYS  15  -2.226 -11.906   7.573
  139   1HE   LYS  15          2HE       LYS  15  -3.952 -13.001   8.522
  140   2HE   LYS  15          3HE       LYS  15  -5.129 -12.334   7.391
  141   1HZ   LYS  15          1HZ       LYS  15  -5.143 -14.332   6.458
  142   2HZ   LYS  15          2HZ       LYS  15  -3.791 -14.851   7.330
  143   3HZ   LYS  15          3HZ       LYS  15  -3.587 -14.011   5.878
  144    H    CYS  16           HN       CYS  16  -3.481  -6.616   3.897
  145    HA   CYS  16           HA       CYS  16  -3.538  -4.466   4.636
  146   1HB   CYS  16          2HB       CYS  16  -5.925  -5.540   5.269
  147   2HB   CYS  16          3HB       CYS  16  -5.371  -5.100   6.882
  148    H    THR  17           HN       THR  17  -1.359  -5.598   5.450
  149    HA   THR  17           HA       THR  17  -0.944  -5.655   8.268
  150    HB   THR  17           HB       THR  17   0.594  -6.150   5.839
  151    HG1  THR  17           1HG      THR  17   0.661  -7.084   8.530
  152   1HG2  THR  17          1HG2      THR  17   1.956  -4.276   6.571
  153   2HG2  THR  17          2HG2      THR  17   2.819  -5.786   6.860
  154   3HG2  THR  17          3HG2      THR  17   2.046  -4.941   8.201
  155    H    THR  18           HN       THR  18   0.529  -4.232   9.437
  156    HA   THR  18           HA       THR  18  -0.149  -1.547   9.300
  157    HB   THR  18           HB       THR  18   2.083  -3.033  10.625
  158    HG1  THR  18           1HG      THR  18  -0.329  -2.020  11.279
  159   1HG2  THR  18          1HG2      THR  18   3.157  -1.095  11.425
  160   2HG2  THR  18          2HG2      THR  18   1.874  -0.038  10.833
  161   3HG2  THR  18          3HG2      THR  18   2.968  -0.821   9.691
  162    H    LEU  19           HN       LEU  19   2.863  -3.107   8.207
  163    HA   LEU  19           HA       LEU  19   4.157  -0.923   7.145
  164   1HB   LEU  19          2HB       LEU  19   4.591  -3.635   7.191
  165   2HB   LEU  19          3HB       LEU  19   4.390  -3.319   5.479
  166    HG   LEU  19           HG       LEU  19   6.767  -3.261   6.386
  167   1HD1  LEU  19          1HD1      LEU  19   6.025  -0.667   5.093
  168   2HD1  LEU  19          2HD1      LEU  19   7.422  -1.702   4.801
  169   3HD1  LEU  19          3HD1      LEU  19   5.827  -2.192   4.230
  170   1HD2  LEU  19          1HD2      LEU  19   5.723  -1.644   8.300
  171   2HD2  LEU  19          2HD2      LEU  19   7.435  -1.719   7.877
  172   3HD2  LEU  19          3HD2      LEU  19   6.408  -0.462   7.186
  173    H    GLU  20           HN       GLU  20   1.354  -2.529   5.972
  174    HA   GLU  20           HA       GLU  20   1.565  -1.503   3.293
  175   1HB   GLU  20          2HB       GLU  20   0.232  -3.306   3.056
  176   2HB   GLU  20          3HB       GLU  20  -0.218  -3.302   4.753
  177   1HG   GLU  20          2HG       GLU  20  -2.215  -3.008   3.578
  178   2HG   GLU  20          3HG       GLU  20  -1.798  -1.407   4.187
  179    H    GLU  21           HN       GLU  21  -0.534  -0.815   6.098
  180    HA   GLU  21           HA       GLU  21  -1.814   1.418   4.921
  181   1HB   GLU  21          2HB       GLU  21  -2.741   1.838   7.031
  182   2HB   GLU  21          3HB       GLU  21  -2.486   0.099   7.038
  183   1HG   GLU  21          2HG       GLU  21  -0.289   0.593   8.215
  184   2HG   GLU  21          3HG       GLU  21  -0.912   2.225   8.441
  185    H    GLU  22           HN       GLU  22   1.257   0.888   6.350
  186    HA   GLU  22           HA       GLU  22   1.888   3.639   6.877
  187   1HB   GLU  22          2HB       GLU  22   3.187   1.014   7.191
  188   2HB   GLU  22          3HB       GLU  22   4.285   2.330   6.812
  189   1HG   GLU  22          2HG       GLU  22   2.502   3.226   8.825
  190   2HG   GLU  22          3HG       GLU  22   3.130   1.649   9.302
  191    H    LYS  23           HN       LYS  23   2.685   1.213   4.412
  192    HA   LYS  23           HA       LYS  23   4.481   2.538   2.822
  193   1HB   LYS  23          2HB       LYS  23   3.752   0.279   2.320
  194   2HB   LYS  23          3HB       LYS  23   2.119   0.840   1.995
  195   1HG   LYS  23          2HG       LYS  23   2.677   1.006  -0.143
  196   2HG   LYS  23          3HG       LYS  23   3.727   2.347   0.308
  197   1HD   LYS  23          2HD       LYS  23   4.397  -0.443  -0.400
  198   2HD   LYS  23          3HD       LYS  23   5.273   1.053  -0.712
  199   1HE   LYS  23          2HE       LYS  23   5.651   0.988   1.893
  200   2HE   LYS  23          3HE       LYS  23   5.365  -0.737   1.664
  201   1HZ   LYS  23          1HZ       LYS  23   7.448  -0.932   0.985
  202   2HZ   LYS  23          2HZ       LYS  23   7.701   0.733   1.140
  203   3HZ   LYS  23          3HZ       LYS  23   7.134   0.097  -0.322
  204    H    CYS  24           HN       CYS  24   0.987   2.827   2.932
  205    HA   CYS  24           HA       CYS  24   0.760   4.745   0.854
  206   1HB   CYS  24          2HB       CYS  24  -1.158   4.047   3.075
  207   2HB   CYS  24          3HB       CYS  24  -1.558   4.959   1.619
  208    H    LYS  25           HN       LYS  25   0.739   5.053   4.404
  209    HA   LYS  25           HA       LYS  25   0.247   7.846   4.353
  210   1HB   LYS  25          2HB       LYS  25   0.884   5.823   6.391
  211   2HB   LYS  25          3HB       LYS  25   1.384   7.461   6.787
  212   1HG   LYS  25          2HG       LYS  25  -0.801   7.087   7.682
  213   2HG   LYS  25          3HG       LYS  25  -0.932   8.226   6.342
  214   1HD   LYS  25          2HD       LYS  25  -1.278   5.329   5.760
  215   2HD   LYS  25          3HD       LYS  25  -2.586   6.170   6.593
  216   1HE   LYS  25          2HE       LYS  25  -1.347   7.079   3.994
  217   2HE   LYS  25          3HE       LYS  25  -2.827   6.124   4.114
  218   1HZ   LYS  25          1HZ       LYS  25  -2.889   8.729   3.963
  219   2HZ   LYS  25          2HZ       LYS  25  -2.677   8.619   5.637
  220   3HZ   LYS  25          3HZ       LYS  25  -4.010   7.881   4.904
  221    H    THR  26           HN       THR  26   3.238   6.126   5.258
  222    HA   THR  26           HA       THR  26   4.832   8.413   5.406
  223    HB   THR  26           HB       THR  26   6.766   6.779   5.086
  224    HG1  THR  26           1HG      THR  26   6.275   4.644   4.943
  225   1HG2  THR  26          1HG2      THR  26   6.387   5.736   7.293
  226   2HG2  THR  26          2HG2      THR  26   4.705   6.265   7.233
  227   3HG2  THR  26          3HG2      THR  26   6.003   7.458   7.288
  228    H    LEU  27           HN       LEU  27   4.429   6.137   2.654
  229    HA   LEU  27           HA       LEU  27   6.244   7.723   1.070
  230   1HB   LEU  27          2HB       LEU  27   4.659   5.245   0.488
  231   2HB   LEU  27          3HB       LEU  27   5.622   6.060  -0.727
  232    HG   LEU  27           HG       LEU  27   7.540   5.797   1.030
  233   1HD1  LEU  27          1HD1      LEU  27   7.347   3.805   2.385
  234   2HD1  LEU  27          2HD1      LEU  27   6.060   4.941   2.795
  235   3HD1  LEU  27          3HD1      LEU  27   5.706   3.533   1.792
  236   1HD2  LEU  27          1HD2      LEU  27   8.329   4.342  -0.456
  237   2HD2  LEU  27          2HD2      LEU  27   7.074   3.161  -0.075
  238   3HD2  LEU  27          3HD2      LEU  27   6.757   4.440  -1.247
  239    H    TYR  28           HN       TYR  28   2.732   7.166   1.178
  240    HA   TYR  28           HA       TYR  28   2.474   9.156  -0.990
  241   1HB   TYR  28          2HB       TYR  28   0.217   7.344  -0.247
  242   2HB   TYR  28          3HB       TYR  28   0.596   8.073  -1.798
  243    HD1  TYR  28           1HD      TYR  28  -0.198   5.195  -1.198
  244    HD2  TYR  28           2HD      TYR  28   3.608   7.033  -1.683
  245    HE1  TYR  28           1HE      TYR  28   0.742   3.049  -1.933
  246    HE2  TYR  28           2HE      TYR  28   4.552   4.895  -2.424
  247    HH   TYR  28           HH       TYR  28   3.858   2.325  -1.979
  248    HA   PRO  29           HA       PRO  29   0.814  11.224   2.871
  249   1HB   PRO  29          2HB       PRO  29   1.632  13.581   1.267
  250   2HB   PRO  29          3HB       PRO  29   1.934  13.222   2.970
  251   1HG   PRO  29          2HG       PRO  29   3.890  13.042   1.160
  252   2HG   PRO  29          3HG       PRO  29   3.768  11.884   2.497
  253   1HD   PRO  29          2HD       PRO  29   3.013  11.547  -0.377
  254   2HD   PRO  29          3HD       PRO  29   3.777  10.389   0.733
  255    H    ARG  30           HN       ARG  30  -1.301  10.555   2.195
  256    HA   ARG  30           HA       ARG  30  -2.722  12.611   0.655
  257   1HB   ARG  30          2HB       ARG  30  -2.367   9.802  -0.035
  258   2HB   ARG  30          3HB       ARG  30  -4.061  10.266   0.039
  259   1HG   ARG  30          2HG       ARG  30  -2.000  11.788  -1.532
  260   2HG   ARG  30          3HG       ARG  30  -2.972  10.479  -2.211
  261   1HD   ARG  30          2HD       ARG  30  -4.356  12.177  -2.767
  262   2HD   ARG  30          3HD       ARG  30  -4.918  11.970  -1.109
  263    HE   ARG  30           HE       ARG  30  -2.752  13.867  -1.543
  264   1HH1  ARG  30          2HH1      ARG  30  -6.156  13.319  -1.028
  265   2HH1  ARG  30          1HH1      ARG  30  -6.473  14.947  -0.529
  266   1HH2  ARG  30          2HH2      ARG  30  -3.163  16.014  -0.890
  267   2HH2  ARG  30          1HH2      ARG  30  -4.774  16.478  -0.452
  268    H    GLY  31           HN       GLY  31  -5.202  11.800   0.679
  269   1HA   GLY  31          1HA       GLY  31  -5.889  11.420   3.521
  270   2HA   GLY  31          2HA       GLY  31  -6.810  12.440   2.422
  271    H    GLN  32           HN       GLN  32  -6.649  10.620   0.192
  272    HA   GLN  32           HA       GLN  32  -8.634   8.653   1.081
  273   1HB   GLN  32          2HB       GLN  32  -8.081   9.095  -1.816
  274   2HB   GLN  32          3HB       GLN  32  -9.602   8.748  -1.005
  275   1HG   GLN  32          2HG       GLN  32 -10.038  10.933  -0.573
  276   2HG   GLN  32          3HG       GLN  32  -8.333  11.369  -0.464
  277   1HE2  GLN  32          1HE2      GLN  32 -10.570  10.057  -2.894
  278   2HE2  GLN  32          2HE2      GLN  32 -10.050  11.091  -4.176
  279    H    CYS  33           HN       CYS  33  -5.577   8.646   1.098
  280    HA   CYS  33           HA       CYS  33  -5.053   6.210  -0.452
  281   1HB   CYS  33          2HB       CYS  33  -3.513   8.200  -0.608
  282   2HB   CYS  33          3HB       CYS  33  -3.102   7.944   1.081
  283    H    THR  34           HN       THR  34  -4.918   4.267   0.557
  284    HA   THR  34           HA       THR  34  -4.016   4.012   3.252
  285    HB   THR  34           HB       THR  34  -6.344   4.907   3.513
  286    HG1  THR  34           1HG      THR  34  -5.145   3.425   5.038
  287   1HG2  THR  34          1HG2      THR  34  -7.801   3.978   2.043
  288   2HG2  THR  34          2HG2      THR  34  -8.004   2.795   3.335
  289   3HG2  THR  34          3HG2      THR  34  -6.933   2.444   1.978
  290    H    CYS  35           HN       CYS  35  -5.517   1.536   3.786
  291    HA   CYS  35           HA       CYS  35  -3.973  -0.168   1.985
  292   1HB   CYS  35          2HB       CYS  35  -3.502  -0.820   4.150
  293   2HB   CYS  35          3HB       CYS  35  -5.139  -0.510   4.715
  294    H    SER  36           HN       SER  36  -4.781  -1.591   0.607
  295    HA   SER  36           HA       SER  36  -7.597  -2.321   0.680
  296   1HB   SER  36          2HB       SER  36  -7.723  -0.399  -0.738
  297   2HB   SER  36          3HB       SER  36  -6.283  -0.886  -1.633
  298    HG   SER  36           HG       SER  36  -8.206  -2.805  -1.668
  299    H    ASP  37           HN       ASP  37  -7.758  -4.437   0.359
  300    HA   ASP  37           HA       ASP  37  -5.543  -5.833  -0.963
  301   1HB   ASP  37          2HB       ASP  37  -6.642  -7.854   0.199
  302   2HB   ASP  37          3HB       ASP  37  -5.767  -6.701   1.200
  303    H    SER  38           HN       SER  38  -6.007  -7.585  -2.386
  304    HA   SER  38           HA       SER  38  -8.716  -7.860  -3.398
  305   1HB   SER  38          2HB       SER  38  -7.608  -5.938  -4.648
  306   2HB   SER  38          3HB       SER  38  -6.500  -7.134  -5.319
  307    HG   SER  38           HG       SER  38  -9.231  -6.766  -5.788
  308    H    LYS  39           HN       LYS  39  -5.323  -8.773  -3.540
  309    HA   LYS  39           HA       LYS  39  -5.878 -11.272  -4.880
  310   1HB   LYS  39          2HB       LYS  39  -3.427  -9.889  -3.867
  311   2HB   LYS  39          3HB       LYS  39  -3.356 -11.615  -4.188
  312   1HG   LYS  39          2HG       LYS  39  -4.589 -10.178  -6.373
  313   2HG   LYS  39          3HG       LYS  39  -2.973  -9.567  -6.009
  314   1HD   LYS  39          2HD       LYS  39  -2.001 -11.711  -6.316
  315   2HD   LYS  39          3HD       LYS  39  -3.581 -12.496  -6.351
  316   1HE   LYS  39          2HE       LYS  39  -2.713 -12.349  -8.595
  317   2HE   LYS  39          3HE       LYS  39  -4.101 -11.274  -8.434
  318   1HZ   LYS  39          1HZ       LYS  39  -2.727  -9.787  -9.361
  319   2HZ   LYS  39          2HZ       LYS  39  -1.327 -10.642  -8.948
  320   3HZ   LYS  39          3HZ       LYS  39  -2.072  -9.640  -7.808
  321    H    MET  40           HN       MET  40  -3.595 -12.325  -2.943
  322    HA   MET  40           HA       MET  40  -5.500 -13.521  -1.071
  323   1HB   MET  40          2HB       MET  40  -2.871 -14.367  -2.219
  324   2HB   MET  40          3HB       MET  40  -3.369 -15.022  -0.666
  325   1HG   MET  40          2HG       MET  40  -5.519 -15.178  -2.569
  326   2HG   MET  40          3HG       MET  40  -4.063 -15.944  -3.202
  327   1HE   MET  40          1HE       MET  40  -5.043 -17.954  -3.498
  328   2HE   MET  40          2HE       MET  40  -5.010 -19.239  -2.293
  329   3HE   MET  40          3HE       MET  40  -6.491 -18.319  -2.558
  330    H    ASN  41           HN       ASN  41  -2.184 -13.699  -0.218
  331    HA   ASN  41           HA       ASN  41  -2.680 -12.208   2.209
  332   1HB   ASN  41          2HB       ASN  41  -1.276 -14.397   1.899
  333   2HB   ASN  41          3HB       ASN  41   0.010 -13.288   1.430
  334   1HD2  ASN  41          1HD2      ASN  41   0.613 -14.713   3.505
  335   2HD2  ASN  41          2HD2      ASN  41   0.464 -13.841   4.989
  336    H    THR  42           HN       THR  42  -1.473 -11.563  -0.894
  337    HA   THR  42           HA       THR  42   0.047  -9.236   0.030
  338    HB   THR  42           HB       THR  42   0.433  -9.095  -2.598
  339    HG1  THR  42           1HG      THR  42   0.551 -11.842  -2.524
  340   1HG2  THR  42          1HG2      THR  42   2.431 -10.632  -2.246
  341   2HG2  THR  42          2HG2      THR  42   1.814 -10.887  -0.614
  342   3HG2  THR  42          3HG2      THR  42   2.279  -9.267  -1.137
  343    H    HIS  43           HN       HIS  43  -0.474  -7.193  -0.486
  344    HA   HIS  43           HA       HIS  43  -2.770  -6.590  -2.177
  345   1HB   HIS  43          2HB       HIS  43  -3.557  -5.053  -0.200
  346   2HB   HIS  43          3HB       HIS  43  -3.996  -6.759  -0.182
  347    HD1  HIS  43           1HD      HIS  43  -2.245  -8.286   1.222
  348    HD2  HIS  43           2HD      HIS  43  -2.303  -4.225   2.073
  349    HE1  HIS  43           1HE      HIS  43  -1.130  -8.040   3.439
  350    HE2  HIS  43           2HE      HIS  43  -1.203  -5.586   3.962
  351    H    SER  44           HN       SER  44  -3.061  -3.967  -1.830
  352    HA   SER  44           HA       SER  44  -0.517  -2.713  -1.396
  353   1HB   SER  44          2HB       SER  44  -0.444  -1.653  -3.680
  354   2HB   SER  44          3HB       SER  44  -0.067  -3.376  -3.626
  355    HG   SER  44           HG       SER  44  -2.738  -2.763  -4.010
  356    H    CYS  45           HN       CYS  45  -1.126  -0.311  -2.847
  357    HA   CYS  45           HA       CYS  45  -3.147   0.738  -1.023
  358   1HB   CYS  45          2HB       CYS  45  -0.677   1.635  -1.461
  359   2HB   CYS  45          3HB       CYS  45  -1.508   2.534  -2.728
  360    H    ASP  46           HN       ASP  46  -4.460   2.592  -1.846
  361    HA   ASP  46           HA       ASP  46  -5.104   2.529  -4.672
  362   1HB   ASP  46          2HB       ASP  46  -6.460   0.717  -3.407
  363   2HB   ASP  46          3HB       ASP  46  -7.357   2.072  -2.729
  364    H    CYS  47           HN       CYS  47  -3.960   4.566  -3.145
  365    HA   CYS  47           HA       CYS  47  -5.688   6.449  -2.043
  366   1HB   CYS  47          2HB       CYS  47  -3.533   7.577  -3.707
  367   2HB   CYS  47          3HB       CYS  47  -3.888   7.834  -2.004
  368    H    LYS  48           HN       LYS  48  -5.147   5.510  -5.288
  369    HA   LYS  48           HA       LYS  48  -7.097   7.514  -6.207
  370   1HB   LYS  48          2HB       LYS  48  -4.619   7.871  -6.908
  371   2HB   LYS  48          3HB       LYS  48  -4.900   6.517  -7.995
  372   1HG   LYS  48          2HG       LYS  48  -7.022   8.447  -8.214
  373   2HG   LYS  48          3HG       LYS  48  -5.450   9.210  -8.459
  374   1HD   LYS  48          2HD       LYS  48  -4.897   7.588 -10.174
  375   2HD   LYS  48          3HD       LYS  48  -6.414   6.733  -9.887
  376   1HE   LYS  48          2HE       LYS  48  -6.555   8.161 -11.866
  377   2HE   LYS  48          3HE       LYS  48  -7.668   8.692 -10.607
  378   1HZ   LYS  48          1HZ       LYS  48  -4.997   9.892 -11.100
  379   2HZ   LYS  48          2HZ       LYS  48  -6.169  10.447 -10.014
  380   3HZ   LYS  48          3HZ       LYS  48  -6.455  10.529 -11.678
  381    H    SER  49           HN       SER  49  -8.742   6.744  -7.355
  382    HA   SER  49           HA       SER  49  -9.458   4.093  -7.391
  383   1HB   SER  49          2HB       SER  49 -10.531   6.503  -8.359
  384   2HB   SER  49          3HB       SER  49 -10.521   5.400  -9.736
  385    HG   SER  49           HG       SER  49 -11.383   3.945  -7.795
  386    H    CYS  50           HN       CYS  50  -7.807   2.725  -8.037
  387    HA   CYS  50           HA       CYS  50  -7.348   2.630 -10.936
  388   1HB   CYS  50          2HB       CYS  50  -4.995   1.922 -10.484
  389   2HB   CYS  50          3HB       CYS  50  -5.333   3.586 -10.021
  Start of MODEL   26
    1   1H    ASN   1          1H        ASN   1  -6.459   9.315 -13.090
    2   2H    ASN   1          2H        ASN   1  -7.746  10.237 -13.686
    3   3H    ASN   1          3H        ASN   1  -6.823  10.812 -12.392
    4    HA   ASN   1           HA       ASN   1  -5.949  10.462 -15.199
    5   1HB   ASN   1          2HB       ASN   1  -5.641  12.904 -15.093
    6   2HB   ASN   1          3HB       ASN   1  -7.307  12.453 -14.748
    7   1HD2  ASN   1          1HD2      ASN   1  -4.756  14.312 -13.776
    8   2HD2  ASN   1          2HD2      ASN   1  -5.253  14.645 -12.156
    9    H    LEU   2           HN       LEU   2  -4.900   9.426 -12.465
   10    HA   LEU   2           HA       LEU   2  -2.890   9.042 -11.481
   11   1HB   LEU   2          2HB       LEU   2  -1.961   9.934 -14.204
   12   2HB   LEU   2          3HB       LEU   2  -0.858   9.364 -12.966
   13    HG   LEU   2           HG       LEU   2  -3.032   7.490 -13.391
   14   1HD1  LEU   2          1HD1      LEU   2  -2.376   8.757 -15.712
   15   2HD1  LEU   2          2HD1      LEU   2  -1.256   7.396 -15.713
   16   3HD1  LEU   2          3HD1      LEU   2  -2.992   7.109 -15.596
   17   1HD2  LEU   2          1HD2      LEU   2  -0.036   7.282 -13.670
   18   2HD2  LEU   2          2HD2      LEU   2  -0.967   6.972 -12.205
   19   3HD2  LEU   2          3HD2      LEU   2  -1.165   5.928 -13.612
   20    H    MET   3           HN       MET   3  -2.902  10.518  -9.835
   21    HA   MET   3           HA       MET   3  -1.380  12.988 -10.323
   22   1HB   MET   3          2HB       MET   3  -4.004  12.622  -8.953
   23   2HB   MET   3          3HB       MET   3  -2.898  13.833  -8.318
   24   1HG   MET   3          2HG       MET   3  -3.247  13.948 -11.216
   25   2HG   MET   3          3HG       MET   3  -4.724  14.236 -10.298
   26   1HE   MET   3          1HE       MET   3  -4.230  16.178  -7.844
   27   2HE   MET   3          2HE       MET   3  -4.462  17.590  -8.873
   28   3HE   MET   3          3HE       MET   3  -5.364  16.108  -9.192
   29    H    LYS   4           HN       LYS   4  -2.273  10.410  -8.126
   30    HA   LYS   4           HA       LYS   4  -0.015  11.152  -6.381
   31   1HB   LYS   4          2HB       LYS   4  -1.173  10.019  -4.567
   32   2HB   LYS   4          3HB       LYS   4  -2.230  11.237  -5.271
   33   1HG   LYS   4          2HG       LYS   4  -2.603   8.721  -6.596
   34   2HG   LYS   4          3HG       LYS   4  -2.784   8.536  -4.851
   35   1HD   LYS   4          2HD       LYS   4  -4.920   9.058  -5.833
   36   2HD   LYS   4          3HD       LYS   4  -4.377  10.416  -4.848
   37   1HE   LYS   4          2HE       LYS   4  -3.673  11.613  -6.826
   38   2HE   LYS   4          3HE       LYS   4  -4.079  10.229  -7.842
   39   1HZ   LYS   4          1HZ       LYS   4  -5.949  11.955  -6.318
   40   2HZ   LYS   4          2HZ       LYS   4  -6.412  10.500  -7.045
   41   3HZ   LYS   4          3HZ       LYS   4  -5.847  11.778  -7.998
   42    H    ARG   5           HN       ARG   5  -1.618   8.691  -8.219
   43    HA   ARG   5           HA       ARG   5  -0.978   6.672  -9.008
   44   1HB   ARG   5          2HB       ARG   5   1.086   7.935  -9.600
   45   2HB   ARG   5          3HB       ARG   5   1.790   7.429  -8.070
   46   1HG   ARG   5          2HG       ARG   5   1.800   5.155  -8.725
   47   2HG   ARG   5          3HG       ARG   5   0.804   5.494 -10.143
   48   1HD   ARG   5          2HD       ARG   5   3.528   6.701  -9.742
   49   2HD   ARG   5          3HD       ARG   5   3.288   5.152 -10.547
   50    HE   ARG   5           HE       ARG   5   2.063   6.311 -12.265
   51   1HH1  ARG   5          2HH1      ARG   5   3.801   8.333 -10.024
   52   2HH1  ARG   5          1HH1      ARG   5   3.868   9.689 -11.099
   53   1HH2  ARG   5          2HH2      ARG   5   2.149   8.091 -13.689
   54   2HH2  ARG   5          1HH2      ARG   5   2.931   9.550 -13.183
   55    H    CYS   6           HN       CYS   6  -2.295   5.887  -7.160
   56    HA   CYS   6           HA       CYS   6  -1.418   5.100  -4.689
   57   1HB   CYS   6          2HB       CYS   6  -3.044   3.122  -5.020
   58   2HB   CYS   6          3HB       CYS   6  -3.696   4.752  -5.143
   59    H    THR   7           HN       THR   7  -0.394   3.266  -3.815
   60    HA   THR   7           HA       THR   7   1.102   1.565  -3.708
   61    HB   THR   7           HB       THR   7   0.745  -0.301  -4.984
   62    HG1  THR   7           1HG      THR   7   1.213  -0.092  -7.031
   63   1HG2  THR   7          1HG2      THR   7  -1.484   0.855  -4.249
   64   2HG2  THR   7          2HG2      THR   7  -1.529  -0.556  -5.306
   65   3HG2  THR   7          3HG2      THR   7  -1.721   1.060  -5.985
   66    H    ARG   8           HN       ARG   8   3.233   1.203  -4.124
   67    HA   ARG   8           HA       ARG   8   4.466   2.925  -6.151
   68   1HB   ARG   8          2HB       ARG   8   5.103   2.398  -3.473
   69   2HB   ARG   8          3HB       ARG   8   6.328   1.548  -4.407
   70   1HG   ARG   8          2HG       ARG   8   7.405   3.485  -4.496
   71   2HG   ARG   8          3HG       ARG   8   6.172   4.000  -5.648
   72   1HD   ARG   8          2HD       ARG   8   4.829   4.603  -3.496
   73   2HD   ARG   8          3HD       ARG   8   6.411   4.585  -2.731
   74    HE   ARG   8           HE       ARG   8   6.799   6.616  -3.675
   75   1HH1  ARG   8          2HH1      ARG   8   4.427   4.958  -5.619
   76   2HH1  ARG   8          1HH1      ARG   8   4.214   6.281  -6.715
   77   1HH2  ARG   8          2HH2      ARG   8   6.524   8.359  -5.113
   78   2HH2  ARG   8          1HH2      ARG   8   5.407   8.213  -6.429
   79    H    GLY   9           HN       GLY   9   3.197   0.772  -7.163
   80   1HA   GLY   9          1HA       GLY   9   4.095  -0.538  -9.014
   81   2HA   GLY   9          2HA       GLY   9   5.420  -1.001  -7.950
   82    H    PHE  10           HN       PHE  10   2.467  -0.841  -6.335
   83    HA   PHE  10           HA       PHE  10   1.120  -2.407  -5.381
   84   1HB   PHE  10          2HB       PHE  10   0.777  -2.699  -8.006
   85   2HB   PHE  10          3HB       PHE  10   1.508  -4.266  -7.684
   86    HD1  PHE  10           1HD      PHE  10   0.438  -5.422  -5.470
   87    HD2  PHE  10           2HD      PHE  10  -1.497  -2.648  -8.052
   88    HE1  PHE  10           1HE      PHE  10  -1.751  -6.299  -4.766
   89    HE2  PHE  10           2HE      PHE  10  -3.689  -3.515  -7.350
   90    HZ   PHE  10           HZ       PHE  10  -3.818  -5.343  -5.705
   91    H    ARG  11           HN       ARG  11   2.844  -2.814  -3.779
   92    HA   ARG  11           HA       ARG  11   3.605  -5.600  -3.874
   93   1HB   ARG  11          2HB       ARG  11   5.995  -5.126  -3.379
   94   2HB   ARG  11          3HB       ARG  11   5.497  -4.622  -4.984
   95   1HG   ARG  11          2HG       ARG  11   6.338  -2.622  -4.556
   96   2HG   ARG  11          3HG       ARG  11   5.082  -2.399  -3.335
   97   1HD   ARG  11          2HD       ARG  11   6.626  -2.422  -1.748
   98   2HD   ARG  11          3HD       ARG  11   7.067  -4.065  -2.221
   99    HE   ARG  11           HE       ARG  11   8.866  -3.217  -3.430
  100   1HH1  ARG  11          2HH1      ARG  11   6.922  -0.642  -2.111
  101   2HH1  ARG  11          1HH1      ARG  11   8.117   0.579  -2.398
  102   1HH2  ARG  11          2HH2      ARG  11  10.442  -1.613  -3.815
  103   2HH2  ARG  11          1HH2      ARG  11  10.114   0.029  -3.371
  104    H    LYS  12           HN       LYS  12   1.810  -4.844  -2.145
  105    HA   LYS  12           HA       LYS  12   3.196  -4.397   0.414
  106   1HB   LYS  12          2HB       LYS  12   0.291  -4.043  -0.367
  107   2HB   LYS  12          3HB       LYS  12   0.856  -3.967   1.294
  108   1HG   LYS  12          2HG       LYS  12   0.540  -1.742   0.257
  109   2HG   LYS  12          3HG       LYS  12   2.190  -2.024   0.811
  110   1HD   LYS  12          2HD       LYS  12   3.006  -2.245  -1.360
  111   2HD   LYS  12          3HD       LYS  12   1.404  -2.573  -2.028
  112   1HE   LYS  12          2HE       LYS  12   0.792  -0.348  -1.997
  113   2HE   LYS  12          3HE       LYS  12   1.950   0.060  -0.731
  114   1HZ   LYS  12          1HZ       LYS  12   2.486  -0.432  -3.600
  115   2HZ   LYS  12          2HZ       LYS  12   3.718  -0.421  -2.440
  116   3HZ   LYS  12          3HZ       LYS  12   2.794   0.971  -2.705
  117    H    LEU  13           HN       LEU  13   2.574  -5.827   2.237
  118    HA   LEU  13           HA       LEU  13   1.258  -8.316   1.427
  119   1HB   LEU  13          2HB       LEU  13   3.256  -9.485   2.684
  120   2HB   LEU  13          3HB       LEU  13   3.334  -9.116   0.972
  121    HG   LEU  13           HG       LEU  13   4.335  -6.834   2.232
  122   1HD1  LEU  13          1HD1      LEU  13   4.590  -8.982   4.025
  123   2HD1  LEU  13          2HD1      LEU  13   6.187  -8.720   3.321
  124   3HD1  LEU  13          3HD1      LEU  13   5.347  -7.392   4.121
  125   1HD2  LEU  13          1HD2      LEU  13   5.058  -8.664   0.254
  126   2HD2  LEU  13          2HD2      LEU  13   5.854  -7.140   0.643
  127   3HD2  LEU  13          3HD2      LEU  13   6.411  -8.640   1.386
  128    H    GLY  14           HN       GLY  14   0.450  -9.599   3.076
  129   1HA   GLY  14          1HA       GLY  14   0.185 -10.206   5.376
  130   2HA   GLY  14          2HA       GLY  14   0.710  -8.594   5.830
  131    H    LYS  15           HN       LYS  15  -1.794  -9.631   3.524
  132    HA   LYS  15           HA       LYS  15  -3.878  -8.664   3.207
  133   1HB   LYS  15          2HB       LYS  15  -3.748 -10.552   5.385
  134   2HB   LYS  15          3HB       LYS  15  -5.073  -9.420   5.630
  135   1HG   LYS  15          2HG       LYS  15  -5.328 -10.082   2.980
  136   2HG   LYS  15          3HG       LYS  15  -4.791 -11.595   3.716
  137   1HD   LYS  15          2HD       LYS  15  -6.672 -11.787   5.018
  138   2HD   LYS  15          3HD       LYS  15  -6.953 -10.044   5.057
  139   1HE   LYS  15          2HE       LYS  15  -7.420 -10.312   2.526
  140   2HE   LYS  15          3HE       LYS  15  -7.616 -12.021   2.909
  141   1HZ   LYS  15          1HZ       LYS  15  -9.312  -9.757   3.593
  142   2HZ   LYS  15          2HZ       LYS  15  -9.148 -10.952   4.778
  143   3HZ   LYS  15          3HZ       LYS  15  -9.731 -11.359   3.244
  144    H    CYS  16           HN       CYS  16  -3.503  -6.430   3.225
  145    HA   CYS  16           HA       CYS  16  -3.573  -4.278   3.963
  146   1HB   CYS  16          2HB       CYS  16  -5.972  -5.609   4.853
  147   2HB   CYS  16          3HB       CYS  16  -5.521  -4.349   5.996
  148    H    THR  17           HN       THR  17  -1.530  -5.551   5.004
  149    HA   THR  17           HA       THR  17  -1.358  -5.592   7.828
  150    HB   THR  17           HB       THR  17   0.277  -6.266   5.581
  151    HG1  THR  17           1HG      THR  17   1.111  -6.893   8.166
  152   1HG2  THR  17          1HG2      THR  17   1.635  -4.331   5.956
  153   2HG2  THR  17          2HG2      THR  17   2.506  -5.725   6.592
  154   3HG2  THR  17          3HG2      THR  17   1.678  -4.626   7.695
  155    H    THR  18           HN       THR  18   0.086  -4.247   9.127
  156    HA   THR  18           HA       THR  18  -0.510  -1.534   8.983
  157    HB   THR  18           HB       THR  18   1.508  -3.127  10.503
  158    HG1  THR  18           1HG      THR  18   0.335  -1.873  12.211
  159   1HG2  THR  18          1HG2      THR  18   2.526  -0.890   9.652
  160   2HG2  THR  18          2HG2      THR  18   2.665  -1.302  11.362
  161   3HG2  THR  18          3HG2      THR  18   1.442  -0.148  10.829
  162    H    LEU  19           HN       LEU  19   2.543  -3.182   8.160
  163    HA   LEU  19           HA       LEU  19   3.979  -1.000   7.269
  164   1HB   LEU  19          2HB       LEU  19   4.391  -3.706   7.367
  165   2HB   LEU  19          3HB       LEU  19   4.343  -3.414   5.640
  166    HG   LEU  19           HG       LEU  19   6.627  -3.366   6.783
  167   1HD1  LEU  19          1HD1      LEU  19   7.445  -1.977   5.154
  168   2HD1  LEU  19          2HD1      LEU  19   5.843  -2.334   4.508
  169   3HD1  LEU  19          3HD1      LEU  19   6.138  -0.807   5.340
  170   1HD2  LEU  19          1HD2      LEU  19   6.376  -0.543   7.402
  171   2HD2  LEU  19          2HD2      LEU  19   5.373  -1.550   8.446
  172   3HD2  LEU  19          3HD2      LEU  19   7.109  -1.845   8.339
  173    H    GLU  20           HN       GLU  20   1.337  -2.640   5.755
  174    HA   GLU  20           HA       GLU  20   1.849  -1.530   3.152
  175   1HB   GLU  20          2HB       GLU  20   0.401  -3.092   2.464
  176   2HB   GLU  20          3HB       GLU  20   0.296  -3.635   4.130
  177   1HG   GLU  20          2HG       GLU  20  -1.902  -3.320   3.742
  178   2HG   GLU  20          3HG       GLU  20  -1.499  -1.679   4.242
  179    H    GLU  21           HN       GLU  21  -0.473  -0.901   5.778
  180    HA   GLU  21           HA       GLU  21  -1.751   1.259   4.462
  181   1HB   GLU  21          2HB       GLU  21  -2.851   1.679   6.484
  182   2HB   GLU  21          3HB       GLU  21  -2.527  -0.047   6.561
  183   1HG   GLU  21          2HG       GLU  21  -0.480   0.526   7.911
  184   2HG   GLU  21          3HG       GLU  21  -1.104   2.172   7.989
  185    H    GLU  22           HN       GLU  22   1.139   0.868   6.318
  186    HA   GLU  22           HA       GLU  22   1.691   3.610   6.801
  187   1HB   GLU  22          2HB       GLU  22   3.033   1.028   7.181
  188   2HB   GLU  22          3HB       GLU  22   4.137   2.332   6.780
  189   1HG   GLU  22          2HG       GLU  22   2.300   3.251   8.754
  190   2HG   GLU  22          3HG       GLU  22   2.994   1.718   9.276
  191    H    LYS  23           HN       LYS  23   2.694   1.251   4.326
  192    HA   LYS  23           HA       LYS  23   4.462   2.788   2.863
  193   1HB   LYS  23          2HB       LYS  23   4.023   0.453   2.310
  194   2HB   LYS  23          3HB       LYS  23   2.371   0.842   1.860
  195   1HG   LYS  23          2HG       LYS  23   3.041   1.174  -0.232
  196   2HG   LYS  23          3HG       LYS  23   4.106   2.479   0.321
  197   1HD   LYS  23          2HD       LYS  23   5.333   0.741  -0.889
  198   2HD   LYS  23          3HD       LYS  23   5.866   0.861   0.783
  199   1HE   LYS  23          2HE       LYS  23   3.821  -0.994   0.864
  200   2HE   LYS  23          3HE       LYS  23   4.661  -1.366  -0.641
  201   1HZ   LYS  23          1HZ       LYS  23   6.454  -0.885   1.543
  202   2HZ   LYS  23          2HZ       LYS  23   6.392  -2.188   0.465
  203   3HZ   LYS  23          3HZ       LYS  23   5.408  -2.182   1.842
  204    H    CYS  24           HN       CYS  24   0.983   2.788   2.998
  205    HA   CYS  24           HA       CYS  24   0.541   4.563   0.843
  206   1HB   CYS  24          2HB       CYS  24  -1.142   3.780   3.215
  207   2HB   CYS  24          3HB       CYS  24  -1.722   4.827   1.919
  208    H    LYS  25           HN       LYS  25   0.998   5.065   4.307
  209    HA   LYS  25           HA       LYS  25   0.407   7.885   4.120
  210   1HB   LYS  25          2HB       LYS  25   1.805   6.775   6.505
  211   2HB   LYS  25          3HB       LYS  25   0.524   7.972   6.413
  212   1HG   LYS  25          2HG       LYS  25  -0.020   5.103   5.755
  213   2HG   LYS  25          3HG       LYS  25   0.016   5.658   7.420
  214   1HD   LYS  25          2HD       LYS  25  -2.242   5.739   6.742
  215   2HD   LYS  25          3HD       LYS  25  -1.673   7.409   6.745
  216   1HE   LYS  25          2HE       LYS  25  -2.265   7.619   4.615
  217   2HE   LYS  25          3HE       LYS  25  -1.183   6.301   4.173
  218   1HZ   LYS  25          1HZ       LYS  25  -3.049   4.776   4.871
  219   2HZ   LYS  25          2HZ       LYS  25  -3.306   5.662   3.453
  220   3HZ   LYS  25          3HZ       LYS  25  -4.049   6.140   4.894
  221    H    THR  26           HN       THR  26   3.339   6.184   5.235
  222    HA   THR  26           HA       THR  26   5.061   8.328   5.218
  223    HB   THR  26           HB       THR  26   6.885   6.582   4.764
  224    HG1  THR  26           1HG      THR  26   4.767   5.172   4.033
  225   1HG2  THR  26          1HG2      THR  26   6.950   6.205   6.985
  226   2HG2  THR  26          2HG2      THR  26   5.315   5.545   7.024
  227   3HG2  THR  26          3HG2      THR  26   5.561   7.292   7.030
  228    H    LEU  27           HN       LEU  27   4.115   6.288   2.479
  229    HA   LEU  27           HA       LEU  27   6.046   7.514   0.714
  230   1HB   LEU  27          2HB       LEU  27   3.755   5.638   0.194
  231   2HB   LEU  27          3HB       LEU  27   4.794   6.257  -1.065
  232    HG   LEU  27           HG       LEU  27   5.244   3.914  -0.191
  233   1HD1  LEU  27          1HD1      LEU  27   6.827   5.800  -1.323
  234   2HD1  LEU  27          2HD1      LEU  27   7.781   5.306   0.080
  235   3HD1  LEU  27          3HD1      LEU  27   7.252   4.100  -1.096
  236   1HD2  LEU  27          1HD2      LEU  27   5.084   4.493   2.208
  237   2HD2  LEU  27          2HD2      LEU  27   6.582   3.669   1.778
  238   3HD2  LEU  27          3HD2      LEU  27   6.581   5.412   2.049
  239    H    TYR  28           HN       TYR  28   2.549   7.693   1.247
  240    HA   TYR  28           HA       TYR  28   2.495  10.075  -0.497
  241   1HB   TYR  28          2HB       TYR  28   0.100   8.314  -0.221
  242   2HB   TYR  28          3HB       TYR  28   0.599   9.318  -1.579
  243    HD1  TYR  28           1HD      TYR  28   0.614   6.049  -0.144
  244    HD2  TYR  28           2HD      TYR  28   2.575   8.496  -3.014
  245    HE1  TYR  28           1HE      TYR  28   1.528   4.042  -1.214
  246    HE2  TYR  28           2HE      TYR  28   3.488   6.487  -4.102
  247    HH   TYR  28           HH       TYR  28   3.170   4.177  -4.269
  248    HA   PRO  29           HA       PRO  29   0.419  11.811   3.093
  249   1HB   PRO  29          2HB       PRO  29   0.430  14.356   2.316
  250   2HB   PRO  29          3HB       PRO  29   1.947  13.526   2.687
  251   1HG   PRO  29          2HG       PRO  29   0.766  14.229   0.046
  252   2HG   PRO  29          3HG       PRO  29   2.467  14.174   0.538
  253   1HD   PRO  29          2HD       PRO  29   1.043  12.173  -0.861
  254   2HD   PRO  29          3HD       PRO  29   2.658  12.020  -0.143
  255    H    ARG  30           HN       ARG  30  -1.054  10.744   0.616
  256    HA   ARG  30           HA       ARG  30  -3.160  12.483  -0.049
  257   1HB   ARG  30          2HB       ARG  30  -2.451   9.680  -0.485
  258   2HB   ARG  30          3HB       ARG  30  -4.186   9.950  -0.404
  259   1HG   ARG  30          2HG       ARG  30  -3.143  10.041  -2.693
  260   2HG   ARG  30          3HG       ARG  30  -4.140  11.426  -2.248
  261   1HD   ARG  30          2HD       ARG  30  -1.749  12.312  -1.415
  262   2HD   ARG  30          3HD       ARG  30  -1.221  11.241  -2.711
  263    HE   ARG  30           HE       ARG  30  -3.152  12.683  -3.902
  264   1HH1  ARG  30          2HH1      ARG  30  -0.385  13.589  -1.989
  265   2HH1  ARG  30          1HH1      ARG  30  -0.165  15.108  -2.792
  266   1HH2  ARG  30          2HH2      ARG  30  -2.871  14.680  -4.968
  267   2HH2  ARG  30          1HH2      ARG  30  -1.578  15.728  -4.486
  268    H    GLY  31           HN       GLY  31  -5.393  12.257   0.390
  269   1HA   GLY  31          1HA       GLY  31  -5.947  11.515   3.183
  270   2HA   GLY  31          2HA       GLY  31  -6.928  12.597   2.191
  271    H    GLN  32           HN       GLN  32  -6.420  10.649  -0.065
  272    HA   GLN  32           HA       GLN  32  -8.610   8.805   0.562
  273   1HB   GLN  32          2HB       GLN  32  -7.581  10.048  -1.966
  274   2HB   GLN  32          3HB       GLN  32  -8.460   8.529  -2.050
  275   1HG   GLN  32          2HG       GLN  32  -9.611  10.873  -0.597
  276   2HG   GLN  32          3HG       GLN  32  -9.734  10.749  -2.351
  277   1HE2  GLN  32          1HE2      GLN  32 -11.769  10.647  -0.190
  278   2HE2  GLN  32          2HE2      GLN  32 -12.637   9.178  -0.458
  279    H    CYS  33           HN       CYS  33  -5.640   8.654   1.153
  280    HA   CYS  33           HA       CYS  33  -4.899   6.233  -0.328
  281   1HB   CYS  33          2HB       CYS  33  -3.399   8.404   0.387
  282   2HB   CYS  33          3HB       CYS  33  -3.040   7.296   1.703
  283    H    THR  34           HN       THR  34  -4.535   4.278   0.710
  284    HA   THR  34           HA       THR  34  -4.453   3.918   3.494
  285    HB   THR  34           HB       THR  34  -6.861   4.749   3.021
  286    HG1  THR  34           1HG      THR  34  -5.839   2.913   4.759
  287   1HG2  THR  34          1HG2      THR  34  -6.922   2.635   1.285
  288   2HG2  THR  34          2HG2      THR  34  -8.345   3.419   1.971
  289   3HG2  THR  34          3HG2      THR  34  -7.704   1.950   2.710
  290    H    CYS  35           HN       CYS  35  -5.563   1.416   3.837
  291    HA   CYS  35           HA       CYS  35  -3.893  -0.154   2.029
  292   1HB   CYS  35          2HB       CYS  35  -3.703  -1.720   3.715
  293   2HB   CYS  35          3HB       CYS  35  -3.900  -0.246   4.648
  294    H    SER  36           HN       SER  36  -4.621  -1.590   0.599
  295    HA   SER  36           HA       SER  36  -7.428  -2.427   0.712
  296   1HB   SER  36          2HB       SER  36  -6.727  -0.402  -0.943
  297   2HB   SER  36          3HB       SER  36  -6.423  -1.785  -1.995
  298    HG   SER  36           HG       SER  36  -8.832  -0.922  -0.832
  299    H    ASP  37           HN       ASP  37  -7.665  -4.520   0.391
  300    HA   ASP  37           HA       ASP  37  -5.612  -5.996  -1.116
  301   1HB   ASP  37          2HB       ASP  37  -5.220  -6.436   1.242
  302   2HB   ASP  37          3HB       ASP  37  -6.920  -6.829   1.485
  303    H    SER  38           HN       SER  38  -6.360  -7.571  -2.483
  304    HA   SER  38           HA       SER  38  -9.148  -8.389  -2.364
  305   1HB   SER  38          2HB       SER  38  -8.915  -6.234  -3.768
  306   2HB   SER  38          3HB       SER  38  -8.117  -7.264  -4.956
  307    HG   SER  38           HG       SER  38 -10.282  -8.545  -4.283
  308    H    LYS  39           HN       LYS  39  -6.212  -9.414  -2.385
  309    HA   LYS  39           HA       LYS  39  -6.632 -11.485  -4.437
  310   1HB   LYS  39          2HB       LYS  39  -4.580  -9.855  -4.507
  311   2HB   LYS  39          3HB       LYS  39  -3.933 -10.925  -3.270
  312   1HG   LYS  39          2HG       LYS  39  -3.076 -11.737  -5.285
  313   2HG   LYS  39          3HG       LYS  39  -4.407 -12.826  -4.890
  314   1HD   LYS  39          2HD       LYS  39  -5.545 -10.749  -6.385
  315   2HD   LYS  39          3HD       LYS  39  -4.036 -11.154  -7.205
  316   1HE   LYS  39          2HE       LYS  39  -4.868 -13.075  -7.968
  317   2HE   LYS  39          3HE       LYS  39  -5.474 -13.525  -6.374
  318   1HZ   LYS  39          1HZ       LYS  39  -7.365 -11.958  -6.834
  319   2HZ   LYS  39          2HZ       LYS  39  -7.338 -13.361  -7.778
  320   3HZ   LYS  39          3HZ       LYS  39  -6.829 -11.889  -8.438
  321    H    MET  40           HN       MET  40  -4.092 -11.856  -2.137
  322    HA   MET  40           HA       MET  40  -5.688 -13.763  -0.569
  323   1HB   MET  40          2HB       MET  40  -3.367 -14.295  -2.276
  324   2HB   MET  40          3HB       MET  40  -3.162 -14.884  -0.632
  325   1HG   MET  40          2HG       MET  40  -5.730 -15.669  -1.343
  326   2HG   MET  40          3HG       MET  40  -4.758 -15.944  -2.787
  327   1HE   MET  40          1HE       MET  40  -6.073 -16.967   0.254
  328   2HE   MET  40          2HE       MET  40  -6.002 -18.606  -0.396
  329   3HE   MET  40          3HE       MET  40  -5.045 -18.177   1.021
  330    H    ASN  41           HN       ASN  41  -2.229 -13.197  -0.445
  331    HA   ASN  41           HA       ASN  41  -2.567 -12.004   2.220
  332   1HB   ASN  41          2HB       ASN  41  -1.336 -14.216   2.056
  333   2HB   ASN  41          3HB       ASN  41  -0.084 -13.363   1.158
  334   1HD2  ASN  41          1HD2      ASN  41   1.547 -12.639   2.306
  335   2HD2  ASN  41          2HD2      ASN  41   1.524 -12.273   3.994
  336    H    THR  42           HN       THR  42  -1.410 -11.565  -0.973
  337    HA   THR  42           HA       THR  42   0.148  -9.208  -0.204
  338    HB   THR  42           HB       THR  42   0.542  -9.237  -2.826
  339    HG1  THR  42           1HG      THR  42   0.566 -11.986  -2.563
  340   1HG2  THR  42          1HG2      THR  42   2.182  -9.533  -0.907
  341   2HG2  THR  42          2HG2      THR  42   2.610 -10.311  -2.431
  342   3HG2  THR  42          3HG2      THR  42   1.945 -11.271  -1.107
  343    H    HIS  43           HN       HIS  43  -0.378  -7.214  -0.762
  344    HA   HIS  43           HA       HIS  43  -2.619  -6.618  -2.531
  345   1HB   HIS  43          2HB       HIS  43  -3.465  -5.071  -0.606
  346   2HB   HIS  43          3HB       HIS  43  -3.870  -6.784  -0.536
  347    HD1  HIS  43           1HD      HIS  43  -2.063  -8.224   0.917
  348    HD2  HIS  43           2HD      HIS  43  -2.265  -4.150   1.652
  349    HE1  HIS  43           1HE      HIS  43  -0.949  -7.874   3.120
  350    HE2  HIS  43           2HE      HIS  43  -0.976  -5.394   3.501
  351    H    SER  44           HN       SER  44  -2.885  -3.929  -1.893
  352    HA   SER  44           HA       SER  44  -0.281  -2.790  -1.548
  353   1HB   SER  44          2HB       SER  44  -0.157  -1.585  -3.675
  354   2HB   SER  44          3HB       SER  44  -0.112  -3.335  -3.912
  355    HG   SER  44           HG       SER  44  -1.583  -2.014  -5.302
  356    H    CYS  45           HN       CYS  45  -1.087  -0.293  -2.934
  357    HA   CYS  45           HA       CYS  45  -2.790   0.695  -0.778
  358   1HB   CYS  45          2HB       CYS  45  -0.474   1.672  -1.483
  359   2HB   CYS  45          3HB       CYS  45  -1.399   2.454  -2.762
  360    H    ASP  46           HN       ASP  46  -4.095   2.690  -1.454
  361    HA   ASP  46           HA       ASP  46  -5.376   2.404  -4.059
  362   1HB   ASP  46          2HB       ASP  46  -6.592   1.062  -2.177
  363   2HB   ASP  46          3HB       ASP  46  -7.114   2.648  -1.618
  364    H    CYS  47           HN       CYS  47  -3.577   4.313  -3.092
  365    HA   CYS  47           HA       CYS  47  -4.544   6.635  -1.980
  366   1HB   CYS  47          2HB       CYS  47  -2.267   5.837  -3.480
  367   2HB   CYS  47          3HB       CYS  47  -2.881   7.315  -4.209
  368    H    LYS  48           HN       LYS  48  -5.117   5.266  -5.081
  369    HA   LYS  48           HA       LYS  48  -6.839   7.548  -5.791
  370   1HB   LYS  48          2HB       LYS  48  -4.564   6.896  -7.139
  371   2HB   LYS  48          3HB       LYS  48  -5.755   5.946  -8.014
  372   1HG   LYS  48          2HG       LYS  48  -6.873   8.502  -7.673
  373   2HG   LYS  48          3HG       LYS  48  -5.198   8.743  -8.175
  374   1HD   LYS  48          2HD       LYS  48  -5.806   8.298 -10.266
  375   2HD   LYS  48          3HD       LYS  48  -6.219   6.657  -9.765
  376   1HE   LYS  48          2HE       LYS  48  -8.226   7.326 -10.632
  377   2HE   LYS  48          3HE       LYS  48  -8.435   7.822  -8.954
  378   1HZ   LYS  48          1HZ       LYS  48  -8.921   9.803  -9.820
  379   2HZ   LYS  48          2HZ       LYS  48  -8.257   9.430 -11.330
  380   3HZ   LYS  48          3HZ       LYS  48  -7.259   9.979 -10.081
  381    H    SER  49           HN       SER  49  -8.181   6.714  -7.814
  382    HA   SER  49           HA       SER  49  -9.890   4.667  -6.736
  383   1HB   SER  49          2HB       SER  49 -10.425   6.894  -8.091
  384   2HB   SER  49          3HB       SER  49 -10.325   5.787  -9.460
  385    HG   SER  49           HG       SER  49 -11.951   4.547  -8.540
  386    H    CYS  50           HN       CYS  50  -7.537   3.462  -7.189
  387    HA   CYS  50           HA       CYS  50  -7.607   2.152  -9.786
  388   1HB   CYS  50          2HB       CYS  50  -5.558   0.935  -8.676
  389   2HB   CYS  50          3HB       CYS  50  -5.400   2.588  -9.258
  Start of MODEL   27
    1   1H    ASN   1          1H        ASN   1   1.079  16.513  -9.402
    2   2H    ASN   1          2H        ASN   1   0.019  17.723  -9.919
    3   3H    ASN   1          3H        ASN   1  -0.587  16.336  -9.165
    4    HA   ASN   1           HA       ASN   1   1.039  17.145  -7.261
    5   1HB   ASN   1          2HB       ASN   1   0.419  19.487  -9.007
    6   2HB   ASN   1          3HB       ASN   1   0.453  19.739  -7.265
    7   1HD2  ASN   1          1HD2      ASN   1   2.408  19.168  -6.130
    8   2HD2  ASN   1          2HD2      ASN   1   3.927  19.275  -6.944
    9    H    LEU   2           HN       LEU   2  -2.003  17.643  -8.863
   10    HA   LEU   2           HA       LEU   2  -3.381  18.057  -6.312
   11   1HB   LEU   2          2HB       LEU   2  -3.774  19.089  -8.875
   12   2HB   LEU   2          3HB       LEU   2  -5.088  17.949  -8.650
   13    HG   LEU   2           HG       LEU   2  -5.204  19.293  -6.301
   14   1HD1  LEU   2          1HD1      LEU   2  -4.800  21.588  -6.572
   15   2HD1  LEU   2          2HD1      LEU   2  -3.360  20.793  -7.209
   16   3HD1  LEU   2          3HD1      LEU   2  -4.578  21.430  -8.315
   17   1HD2  LEU   2          1HD2      LEU   2  -7.248  19.850  -7.039
   18   2HD2  LEU   2          2HD2      LEU   2  -6.620  20.648  -8.482
   19   3HD2  LEU   2          3HD2      LEU   2  -6.811  18.895  -8.455
   20    H    MET   3           HN       MET   3  -2.232  15.493  -7.740
   21    HA   MET   3           HA       MET   3  -4.482  13.802  -6.931
   22   1HB   MET   3          2HB       MET   3  -3.957  14.258  -9.585
   23   2HB   MET   3          3HB       MET   3  -3.040  12.790  -9.279
   24   1HG   MET   3          2HG       MET   3  -4.906  11.643  -9.551
   25   2HG   MET   3          3HG       MET   3  -5.519  12.377  -8.071
   26   1HE   MET   3          1HE       MET   3  -6.879  14.969  -8.264
   27   2HE   MET   3          2HE       MET   3  -8.351  14.464  -9.093
   28   3HE   MET   3          3HE       MET   3  -7.578  13.384  -7.933
   29    H    LYS   4           HN       LYS   4  -3.494  11.345  -7.424
   30    HA   LYS   4           HA       LYS   4  -0.767  11.136  -6.516
   31   1HB   LYS   4          2HB       LYS   4  -2.724  11.282  -4.573
   32   2HB   LYS   4          3HB       LYS   4  -2.520   9.549  -4.790
   33   1HG   LYS   4          2HG       LYS   4  -0.332  11.513  -4.150
   34   2HG   LYS   4          3HG       LYS   4  -1.087  10.380  -3.022
   35   1HD   LYS   4          2HD       LYS   4   0.389   8.838  -3.631
   36   2HD   LYS   4          3HD       LYS   4  -0.295   8.883  -5.260
   37   1HE   LYS   4          2HE       LYS   4   2.144   9.258  -5.246
   38   2HE   LYS   4          3HE       LYS   4   1.250  10.629  -5.901
   39   1HZ   LYS   4          1HZ       LYS   4   2.177  10.483  -3.088
   40   2HZ   LYS   4          2HZ       LYS   4   1.559  11.832  -3.900
   41   3HZ   LYS   4          3HZ       LYS   4   3.074  11.210  -4.326
   42    H    ARG   5           HN       ARG   5   0.113   9.072  -6.843
   43    HA   ARG   5           HA       ARG   5  -1.544   7.325  -8.525
   44   1HB   ARG   5          2HB       ARG   5   0.973   6.402  -8.917
   45   2HB   ARG   5          3HB       ARG   5   0.213   7.642  -9.904
   46   1HG   ARG   5          2HG       ARG   5   1.681   8.502  -7.470
   47   2HG   ARG   5          3HG       ARG   5   2.614   7.961  -8.865
   48   1HD   ARG   5          2HD       ARG   5   0.679  10.252  -8.681
   49   2HD   ARG   5          3HD       ARG   5   2.387  10.293  -9.115
   50    HE   ARG   5           HE       ARG   5   1.720   9.106 -11.191
   51   1HH1  ARG   5          2HH1      ARG   5  -0.640  10.953  -9.409
   52   2HH1  ARG   5          1HH1      ARG   5  -1.647  11.238 -10.790
   53   1HH2  ARG   5          2HH2      ARG   5   0.399   9.482 -13.013
   54   2HH2  ARG   5          1HH2      ARG   5  -1.056  10.403 -12.836
   55    H    CYS   6           HN       CYS   6  -2.464   5.818  -7.316
   56    HA   CYS   6           HA       CYS   6  -1.693   4.782  -4.892
   57   1HB   CYS   6          2HB       CYS   6  -3.310   3.114  -5.214
   58   2HB   CYS   6          3HB       CYS   6  -3.868   4.435  -6.236
   59    H    THR   7           HN       THR   7  -0.557   2.999  -4.173
   60    HA   THR   7           HA       THR   7   1.107   1.466  -4.092
   61    HB   THR   7           HB       THR   7   1.033  -0.301  -5.548
   62    HG1  THR   7           1HG      THR   7   0.328   0.189  -7.865
   63   1HG2  THR   7          1HG2      THR   7  -1.350  -0.056  -6.801
   64   2HG2  THR   7          2HG2      THR   7  -1.501   1.204  -5.575
   65   3HG2  THR   7          3HG2      THR   7  -1.174  -0.460  -5.093
   66    H    ARG   8           HN       ARG   8   3.265   1.247  -4.394
   67    HA   ARG   8           HA       ARG   8   4.543   3.200  -6.171
   68   1HB   ARG   8          2HB       ARG   8   5.002   2.621  -3.514
   69   2HB   ARG   8          3HB       ARG   8   6.253   1.686  -4.321
   70   1HG   ARG   8          2HG       ARG   8   7.471   3.528  -4.416
   71   2HG   ARG   8          3HG       ARG   8   6.290   4.188  -5.552
   72   1HD   ARG   8          2HD       ARG   8   4.966   4.822  -3.418
   73   2HD   ARG   8          3HD       ARG   8   6.501   4.590  -2.594
   74    HE   ARG   8           HE       ARG   8   7.123   6.629  -3.373
   75   1HH1  ARG   8          2HH1      ARG   8   4.756   5.322  -5.577
   76   2HH1  ARG   8          1HH1      ARG   8   4.755   6.719  -6.601
   77   1HH2  ARG   8          2HH2      ARG   8   7.119   8.468  -4.712
   78   2HH2  ARG   8          1HH2      ARG   8   6.094   8.509  -6.107
   79    H    GLY   9           HN       GLY   9   3.327   0.766  -7.041
   80   1HA   GLY   9          1HA       GLY   9   4.347  -0.324  -9.047
   81   2HA   GLY   9          2HA       GLY   9   5.674  -0.762  -7.974
   82    H    PHE  10           HN       PHE  10   2.686  -0.768  -6.422
   83    HA   PHE  10           HA       PHE  10   1.362  -2.395  -5.551
   84   1HB   PHE  10          2HB       PHE  10   1.148  -2.713  -8.185
   85   2HB   PHE  10          3HB       PHE  10   1.937  -4.243  -7.820
   86    HD1  PHE  10           1HD      PHE  10  -1.127  -2.777  -8.327
   87    HD2  PHE  10           2HD      PHE  10   0.836  -5.428  -5.638
   88    HE1  PHE  10           1HE      PHE  10  -3.301  -3.748  -7.703
   89    HE2  PHE  10           2HE      PHE  10  -1.335  -6.404  -5.009
   90    HZ   PHE  10           HZ       PHE  10  -3.406  -5.564  -6.043
   91    H    ARG  11           HN       ARG  11   2.882  -2.794  -3.821
   92    HA   ARG  11           HA       ARG  11   3.808  -5.510  -3.853
   93   1HB   ARG  11          2HB       ARG  11   6.162  -4.906  -3.236
   94   2HB   ARG  11          3HB       ARG  11   5.722  -4.553  -4.899
   95   1HG   ARG  11          2HG       ARG  11   6.413  -2.473  -4.605
   96   2HG   ARG  11          3HG       ARG  11   5.132  -2.240  -3.411
   97   1HD   ARG  11          2HD       ARG  11   6.590  -2.230  -1.731
   98   2HD   ARG  11          3HD       ARG  11   7.346  -3.720  -2.302
   99    HE   ARG  11           HE       ARG  11   8.921  -2.454  -3.468
  100   1HH1  ARG  11          2HH1      ARG  11   6.560  -0.426  -1.903
  101   2HH1  ARG  11          1HH1      ARG  11   7.492   1.022  -2.087
  102   1HH2  ARG  11          2HH2      ARG  11  10.154  -0.552  -3.718
  103   2HH2  ARG  11          1HH2      ARG  11   9.535   0.950  -3.118
  104    H    LYS  12           HN       LYS  12   1.958  -4.938  -2.204
  105    HA   LYS  12           HA       LYS  12   3.230  -4.381   0.397
  106   1HB   LYS  12          2HB       LYS  12   0.360  -3.993  -0.493
  107   2HB   LYS  12          3HB       LYS  12   0.873  -3.896   1.183
  108   1HG   LYS  12          2HG       LYS  12   0.634  -1.683   0.154
  109   2HG   LYS  12          3HG       LYS  12   2.289  -1.995   0.674
  110   1HD   LYS  12          2HD       LYS  12   3.063  -2.203  -1.503
  111   2HD   LYS  12          3HD       LYS  12   1.459  -2.566  -2.143
  112   1HE   LYS  12          2HE       LYS  12   0.973  -0.402  -2.448
  113   2HE   LYS  12          3HE       LYS  12   1.637   0.058  -0.881
  114   1HZ   LYS  12          1HZ       LYS  12   3.001  -0.152  -3.481
  115   2HZ   LYS  12          2HZ       LYS  12   3.888  -0.330  -2.052
  116   3HZ   LYS  12          3HZ       LYS  12   3.044   1.105  -2.349
  117    H    LEU  13           HN       LEU  13   2.532  -5.803   2.196
  118    HA   LEU  13           HA       LEU  13   1.130  -8.235   1.394
  119   1HB   LEU  13          2HB       LEU  13   3.066  -9.582   2.430
  120   2HB   LEU  13          3HB       LEU  13   3.217  -8.993   0.785
  121    HG   LEU  13           HG       LEU  13   4.290  -6.959   2.390
  122   1HD1  LEU  13          1HD1      LEU  13   5.697  -7.899   3.944
  123   2HD1  LEU  13          2HD1      LEU  13   4.288  -8.948   4.096
  124   3HD1  LEU  13          3HD1      LEU  13   5.687  -9.480   3.163
  125   1HD2  LEU  13          1HD2      LEU  13   6.377  -7.568   1.292
  126   2HD2  LEU  13          2HD2      LEU  13   5.692  -9.123   0.820
  127   3HD2  LEU  13          3HD2      LEU  13   5.032  -7.630   0.153
  128    H    GLY  14           HN       GLY  14   0.485  -9.608   3.093
  129   1HA   GLY  14          1HA       GLY  14   0.372 -10.208   5.406
  130   2HA   GLY  14          2HA       GLY  14   0.830  -8.564   5.822
  131    H    LYS  15           HN       LYS  15  -1.727  -9.749   3.642
  132    HA   LYS  15           HA       LYS  15  -3.887  -8.907   3.447
  133   1HB   LYS  15          2HB       LYS  15  -3.494 -10.775   5.606
  134   2HB   LYS  15          3HB       LYS  15  -4.851  -9.715   5.965
  135   1HG   LYS  15          2HG       LYS  15  -5.524 -10.306   3.489
  136   2HG   LYS  15          3HG       LYS  15  -4.521 -11.724   3.805
  137   1HD   LYS  15          2HD       LYS  15  -6.179 -12.661   4.950
  138   2HD   LYS  15          3HD       LYS  15  -6.210 -11.288   6.058
  139   1HE   LYS  15          2HE       LYS  15  -7.550 -11.143   3.381
  140   2HE   LYS  15          3HE       LYS  15  -8.359 -11.889   4.759
  141   1HZ   LYS  15          1HZ       LYS  15  -7.386  -9.505   5.706
  142   2HZ   LYS  15          2HZ       LYS  15  -8.996  -9.851   5.315
  143   3HZ   LYS  15          3HZ       LYS  15  -7.984  -9.130   4.167
  144    H    CYS  16           HN       CYS  16  -3.528  -6.631   3.472
  145    HA   CYS  16           HA       CYS  16  -3.735  -4.495   4.226
  146   1HB   CYS  16          2HB       CYS  16  -6.076  -5.580   4.699
  147   2HB   CYS  16          3HB       CYS  16  -5.592  -5.431   6.386
  148    H    THR  17           HN       THR  17  -1.522  -5.631   5.101
  149    HA   THR  17           HA       THR  17  -1.177  -5.640   7.919
  150    HB   THR  17           HB       THR  17   0.408  -6.173   5.555
  151    HG1  THR  17           1HG      THR  17   0.529  -6.917   8.303
  152   1HG2  THR  17          1HG2      THR  17   1.781  -4.309   6.004
  153   2HG2  THR  17          2HG2      THR  17   2.622  -5.679   6.729
  154   3HG2  THR  17          3HG2      THR  17   1.707  -4.566   7.748
  155    H    THR  18           HN       THR  18   0.136  -4.183   9.162
  156    HA   THR  18           HA       THR  18  -0.566  -1.510   8.973
  157    HB   THR  18           HB       THR  18   1.557  -2.982  10.464
  158    HG1  THR  18           1HG      THR  18   0.403  -2.087  12.207
  159   1HG2  THR  18          1HG2      THR  18   2.605  -1.040  11.311
  160   2HG2  THR  18          2HG2      THR  18   1.406   0.023  10.574
  161   3HG2  THR  18          3HG2      THR  18   2.572  -0.827   9.558
  162    H    LEU  19           HN       LEU  19   2.533  -3.023   8.071
  163    HA   LEU  19           HA       LEU  19   3.855  -0.801   7.110
  164   1HB   LEU  19          2HB       LEU  19   4.439  -3.426   7.261
  165   2HB   LEU  19          3HB       LEU  19   4.153  -3.295   5.538
  166    HG   LEU  19           HG       LEU  19   6.559  -3.051   6.334
  167   1HD1  LEU  19          1HD1      LEU  19   5.178  -1.922   4.220
  168   2HD1  LEU  19          2HD1      LEU  19   6.127  -0.587   4.876
  169   3HD1  LEU  19          3HD1      LEU  19   6.929  -2.074   4.371
  170   1HD2  LEU  19          1HD2      LEU  19   6.241  -0.205   6.801
  171   2HD2  LEU  19          2HD2      LEU  19   5.454  -1.183   8.040
  172   3HD2  LEU  19          3HD2      LEU  19   7.172  -1.402   7.703
  173    H    GLU  20           HN       GLU  20   1.278  -2.615   5.663
  174    HA   GLU  20           HA       GLU  20   1.617  -1.539   3.046
  175   1HB   GLU  20          2HB       GLU  20   0.231  -3.228   2.581
  176   2HB   GLU  20          3HB       GLU  20  -0.035  -3.499   4.295
  177   1HG   GLU  20          2HG       GLU  20  -2.172  -3.171   3.590
  178   2HG   GLU  20          3HG       GLU  20  -1.732  -1.521   4.025
  179    H    GLU  21           HN       GLU  21  -0.635  -0.824   5.722
  180    HA   GLU  21           HA       GLU  21  -1.891   1.347   4.399
  181   1HB   GLU  21          2HB       GLU  21  -3.002   1.771   6.411
  182   2HB   GLU  21          3HB       GLU  21  -2.690   0.045   6.488
  183   1HG   GLU  21          2HG       GLU  21  -0.564   0.740   7.787
  184   2HG   GLU  21          3HG       GLU  21  -1.411   2.269   8.008
  185    H    GLU  22           HN       GLU  22   1.010   0.937   6.217
  186    HA   GLU  22           HA       GLU  22   1.554   3.680   6.723
  187   1HB   GLU  22          2HB       GLU  22   2.934   1.095   7.040
  188   2HB   GLU  22          3HB       GLU  22   3.996   2.457   6.734
  189   1HG   GLU  22          2HG       GLU  22   2.094   3.237   8.691
  190   2HG   GLU  22          3HG       GLU  22   2.775   1.680   9.160
  191    H    LYS  23           HN       LYS  23   2.275   1.368   4.167
  192    HA   LYS  23           HA       LYS  23   4.142   2.834   2.723
  193   1HB   LYS  23          2HB       LYS  23   3.513   0.496   2.188
  194   2HB   LYS  23          3HB       LYS  23   1.959   1.066   1.594
  195   1HG   LYS  23          2HG       LYS  23   2.908   1.213  -0.414
  196   2HG   LYS  23          3HG       LYS  23   3.854   2.571   0.213
  197   1HD   LYS  23          2HD       LYS  23   5.277   0.855  -0.796
  198   2HD   LYS  23          3HD       LYS  23   5.609   1.038   0.922
  199   1HE   LYS  23          2HE       LYS  23   3.670  -0.904   0.871
  200   2HE   LYS  23          3HE       LYS  23   4.613  -1.262  -0.574
  201   1HZ   LYS  23          1HZ       LYS  23   6.371  -0.709   1.543
  202   2HZ   LYS  23          2HZ       LYS  23   6.171  -2.158   0.694
  203   3HZ   LYS  23          3HZ       LYS  23   5.244  -1.853   2.076
  204    H    CYS  24           HN       CYS  24   0.636   2.625   2.031
  205    HA   CYS  24           HA       CYS  24   0.510   4.688   0.223
  206   1HB   CYS  24          2HB       CYS  24  -1.376   3.124   1.500
  207   2HB   CYS  24          3HB       CYS  24  -1.769   4.761   2.013
  208    H    LYS  25           HN       LYS  25   0.648   4.896   3.728
  209    HA   LYS  25           HA       LYS  25  -0.002   7.677   3.842
  210   1HB   LYS  25          2HB       LYS  25   0.411   5.559   5.695
  211   2HB   LYS  25          3HB       LYS  25   1.454   6.897   6.158
  212   1HG   LYS  25          2HG       LYS  25  -0.629   7.123   7.305
  213   2HG   LYS  25          3HG       LYS  25  -0.527   8.394   6.085
  214   1HD   LYS  25          2HD       LYS  25  -1.807   5.867   5.241
  215   2HD   LYS  25          3HD       LYS  25  -2.689   6.831   6.427
  216   1HE   LYS  25          2HE       LYS  25  -1.617   8.467   4.289
  217   2HE   LYS  25          3HE       LYS  25  -2.663   7.190   3.671
  218   1HZ   LYS  25          1HZ       LYS  25  -3.888   9.225   4.183
  219   2HZ   LYS  25          2HZ       LYS  25  -3.409   9.120   5.802
  220   3HZ   LYS  25          3HZ       LYS  25  -4.412   7.930   5.139
  221    H    THR  26           HN       THR  26   2.976   6.391   5.238
  222    HA   THR  26           HA       THR  26   4.480   8.657   5.079
  223    HB   THR  26           HB       THR  26   6.506   7.189   5.083
  224    HG1  THR  26           1HG      THR  26   6.255   5.003   4.919
  225   1HG2  THR  26          1HG2      THR  26   4.299   7.182   6.985
  226   2HG2  THR  26          2HG2      THR  26   6.030   7.367   7.265
  227   3HG2  THR  26          3HG2      THR  26   5.328   5.757   7.126
  228    H    LEU  27           HN       LEU  27   3.802   6.442   2.459
  229    HA   LEU  27           HA       LEU  27   5.863   7.503   0.741
  230   1HB   LEU  27          2HB       LEU  27   3.551   5.643   0.261
  231   2HB   LEU  27          3HB       LEU  27   4.580   6.204  -1.035
  232    HG   LEU  27           HG       LEU  27   5.087   3.922  -0.144
  233   1HD1  LEU  27          1HD1      LEU  27   7.184   4.151  -0.848
  234   2HD1  LEU  27          2HD1      LEU  27   6.708   5.822  -1.161
  235   3HD1  LEU  27          3HD1      LEU  27   7.556   5.411   0.332
  236   1HD2  LEU  27          1HD2      LEU  27   4.765   4.731   2.280
  237   2HD2  LEU  27          2HD2      LEU  27   6.042   3.567   1.933
  238   3HD2  LEU  27          3HD2      LEU  27   6.438   5.272   2.154
  239    H    TYR  28           HN       TYR  28   2.378   7.893   1.158
  240    HA   TYR  28           HA       TYR  28   2.503  10.219  -0.648
  241   1HB   TYR  28          2HB       TYR  28   0.058   8.502  -0.583
  242   2HB   TYR  28          3HB       TYR  28   0.685   9.503  -1.888
  243    HD1  TYR  28           1HD      TYR  28   2.772   8.654  -3.143
  244    HD2  TYR  28           2HD      TYR  28   0.501   6.228  -0.488
  245    HE1  TYR  28           1HE      TYR  28   3.731   6.641  -4.170
  246    HE2  TYR  28           2HE      TYR  28   1.464   4.211  -1.502
  247    HH   TYR  28           HH       TYR  28   2.707   3.398  -3.152
  248    HA   PRO  29           HA       PRO  29   0.447  11.863   3.023
  249   1HB   PRO  29          2HB       PRO  29   0.731  14.493   1.900
  250   2HB   PRO  29          3HB       PRO  29   1.638  13.769   3.226
  251   1HG   PRO  29          2HG       PRO  29   2.705  14.405   0.768
  252   2HG   PRO  29          3HG       PRO  29   3.386  13.215   1.889
  253   1HD   PRO  29          2HD       PRO  29   1.727  12.786  -0.555
  254   2HD   PRO  29          3HD       PRO  29   3.077  11.825   0.084
  255    H    ARG  30           HN       ARG  30  -1.595  10.940   2.283
  256    HA   ARG  30           HA       ARG  30  -3.340  12.983   1.077
  257   1HB   ARG  30          2HB       ARG  30  -3.407  10.014   0.504
  258   2HB   ARG  30          3HB       ARG  30  -4.566  11.194  -0.093
  259   1HG   ARG  30          2HG       ARG  30  -1.643  11.013  -0.801
  260   2HG   ARG  30          3HG       ARG  30  -3.021  10.667  -1.853
  261   1HD   ARG  30          2HD       ARG  30  -2.135  13.331  -0.758
  262   2HD   ARG  30          3HD       ARG  30  -2.215  12.823  -2.444
  263    HE   ARG  30           HE       ARG  30  -4.734  12.680  -1.952
  264   1HH1  ARG  30          2HH1      ARG  30  -2.548  15.000  -0.544
  265   2HH1  ARG  30          1HH1      ARG  30  -3.766  16.212  -0.332
  266   1HH2  ARG  30          2HH2      ARG  30  -6.344  14.272  -1.677
  267   2HH2  ARG  30          1HH2      ARG  30  -5.923  15.799  -0.976
  268    H    GLY  31           HN       GLY  31  -5.692  11.616   1.147
  269   1HA   GLY  31          1HA       GLY  31  -6.108  10.973   3.991
  270   2HA   GLY  31          2HA       GLY  31  -7.190  12.059   3.128
  271    H    GLN  32           HN       GLN  32  -6.902  10.428   0.653
  272    HA   GLN  32           HA       GLN  32  -8.837   8.351   1.377
  273   1HB   GLN  32          2HB       GLN  32  -8.171   9.585  -1.303
  274   2HB   GLN  32          3HB       GLN  32  -9.338   8.291  -1.069
  275   1HG   GLN  32          2HG       GLN  32 -10.082  10.292   0.731
  276   2HG   GLN  32          3HG       GLN  32  -9.664  11.127  -0.764
  277   1HE2  GLN  32          1HE2      GLN  32 -10.740  10.464  -2.714
  278   2HE2  GLN  32          2HE2      GLN  32 -12.332   9.797  -2.634
  279    H    CYS  33           HN       CYS  33  -5.732   8.494   1.301
  280    HA   CYS  33           HA       CYS  33  -5.223   6.074  -0.289
  281   1HB   CYS  33          2HB       CYS  33  -3.291   8.009   1.010
  282   2HB   CYS  33          3HB       CYS  33  -2.843   6.625   0.021
  283    H    THR  34           HN       THR  34  -4.629   4.172   0.678
  284    HA   THR  34           HA       THR  34  -3.563   3.972   3.267
  285    HB   THR  34           HB       THR  34  -5.766   4.791   3.920
  286    HG1  THR  34           1HG      THR  34  -4.546   3.096   5.148
  287   1HG2  THR  34          1HG2      THR  34  -7.651   4.092   2.965
  288   2HG2  THR  34          2HG2      THR  34  -7.331   2.428   3.454
  289   3HG2  THR  34          3HG2      THR  34  -6.702   3.034   1.921
  290    H    CYS  35           HN       CYS  35  -5.539   1.462   3.552
  291    HA   CYS  35           HA       CYS  35  -3.750  -0.270   2.013
  292   1HB   CYS  35          2HB       CYS  35  -3.711  -1.264   4.042
  293   2HB   CYS  35          3HB       CYS  35  -5.232  -0.533   4.541
  294    H    SER  36           HN       SER  36  -4.424  -1.713   0.516
  295    HA   SER  36           HA       SER  36  -7.279  -1.995  -0.030
  296   1HB   SER  36          2HB       SER  36  -6.236  -0.130  -1.454
  297   2HB   SER  36          3HB       SER  36  -5.356  -1.416  -2.278
  298    HG   SER  36           HG       SER  36  -7.599  -2.365  -2.485
  299    H    ASP  37           HN       ASP  37  -7.476  -4.125   0.294
  300    HA   ASP  37           HA       ASP  37  -5.502  -5.922  -0.950
  301   1HB   ASP  37          2HB       ASP  37  -5.657  -6.152   1.486
  302   2HB   ASP  37          3HB       ASP  37  -7.390  -6.438   1.360
  303    H    SER  38           HN       SER  38  -6.267  -7.845  -1.977
  304    HA   SER  38           HA       SER  38  -8.912  -7.478  -3.192
  305   1HB   SER  38          2HB       SER  38  -6.423  -8.071  -4.309
  306   2HB   SER  38          3HB       SER  38  -7.301  -9.599  -4.357
  307    HG   SER  38           HG       SER  38  -8.469  -8.818  -5.907
  308    H    LYS  39           HN       LYS  39  -6.973 -10.401  -2.649
  309    HA   LYS  39           HA       LYS  39  -8.722 -11.530  -0.719
  310   1HB   LYS  39          2HB       LYS  39  -9.919 -11.628  -3.091
  311   2HB   LYS  39          3HB       LYS  39  -8.891 -13.041  -3.286
  312   1HG   LYS  39          2HG       LYS  39 -10.762 -14.012  -2.421
  313   2HG   LYS  39          3HG       LYS  39  -9.871 -13.678  -0.934
  314   1HD   LYS  39          2HD       LYS  39 -11.164 -11.684  -0.548
  315   2HD   LYS  39          3HD       LYS  39 -11.965 -11.852  -2.111
  316   1HE   LYS  39          2HE       LYS  39 -12.190 -13.733   0.236
  317   2HE   LYS  39          3HE       LYS  39 -13.424 -12.604  -0.321
  318   1HZ   LYS  39          1HZ       LYS  39 -14.041 -13.970  -1.968
  319   2HZ   LYS  39          2HZ       LYS  39 -13.284 -15.175  -1.055
  320   3HZ   LYS  39          3HZ       LYS  39 -12.459 -14.441  -2.335
  321    H    MET  40           HN       MET  40  -5.887 -11.125  -1.256
  322    HA   MET  40           HA       MET  40  -5.007 -13.880  -0.819
  323   1HB   MET  40          2HB       MET  40  -3.869 -11.989  -2.873
  324   2HB   MET  40          3HB       MET  40  -2.970 -13.369  -2.260
  325   1HG   MET  40          2HG       MET  40  -3.874 -14.468  -3.973
  326   2HG   MET  40          3HG       MET  40  -5.327 -14.526  -2.976
  327   1HE   MET  40          1HE       MET  40  -4.501 -12.037  -6.688
  328   2HE   MET  40          2HE       MET  40  -3.828 -11.338  -5.214
  329   3HE   MET  40          3HE       MET  40  -3.358 -12.962  -5.716
  330    H    ASN  41           HN       ASN  41  -2.533 -13.785  -0.240
  331    HA   ASN  41           HA       ASN  41  -2.323 -12.308   2.154
  332   1HB   ASN  41          2HB       ASN  41  -1.168 -14.516   1.514
  333   2HB   ASN  41          3HB       ASN  41   0.027 -13.508   0.701
  334   1HD2  ASN  41          1HD2      ASN  41  -0.776 -15.004   3.541
  335   2HD2  ASN  41          2HD2      ASN  41   0.267 -14.140   4.614
  336    H    THR  42           HN       THR  42  -1.236 -11.689  -1.121
  337    HA   THR  42           HA       THR  42   0.221  -9.318  -0.201
  338    HB   THR  42           HB       THR  42   0.544  -9.314  -2.917
  339    HG1  THR  42           1HG      THR  42   0.912 -11.454  -3.535
  340   1HG2  THR  42          1HG2      THR  42   2.128 -10.217  -0.588
  341   2HG2  THR  42          2HG2      THR  42   2.504  -9.009  -1.817
  342   3HG2  THR  42          3HG2      THR  42   2.711 -10.725  -2.175
  343    H    HIS  43           HN       HIS  43  -0.272  -7.303  -0.805
  344    HA   HIS  43           HA       HIS  43  -2.502  -6.722  -2.581
  345   1HB   HIS  43          2HB       HIS  43  -3.383  -5.164  -0.677
  346   2HB   HIS  43          3HB       HIS  43  -3.795  -6.875  -0.619
  347    HD1  HIS  43           1HD      HIS  43  -2.059  -8.323   0.910
  348    HD2  HIS  43           2HD      HIS  43  -2.245  -4.240   1.612
  349    HE1  HIS  43           1HE      HIS  43  -1.044  -7.974   3.163
  350    HE2  HIS  43           2HE      HIS  43  -1.049  -5.489   3.519
  351    H    SER  44           HN       SER  44  -2.779  -4.034  -2.009
  352    HA   SER  44           HA       SER  44  -0.175  -2.867  -1.679
  353   1HB   SER  44          2HB       SER  44  -0.228  -1.612  -3.838
  354   2HB   SER  44          3HB       SER  44   0.056  -3.350  -4.009
  355    HG   SER  44           HG       SER  44  -1.978  -1.830  -4.974
  356    H    CYS  45           HN       CYS  45  -0.525  -0.339  -2.465
  357    HA   CYS  45           HA       CYS  45  -2.724   0.517  -0.734
  358   1HB   CYS  45          2HB       CYS  45  -1.158   1.864   0.114
  359   2HB   CYS  45          3HB       CYS  45  -0.013   1.362  -1.125
  360    H    ASP  46           HN       ASP  46  -4.473   1.512  -1.509
  361    HA   ASP  46           HA       ASP  46  -4.504   2.270  -4.347
  362   1HB   ASP  46          2HB       ASP  46  -6.246   0.680  -3.256
  363   2HB   ASP  46          3HB       ASP  46  -6.932   2.154  -2.578
  364    H    CYS  47           HN       CYS  47  -3.109   4.058  -3.338
  365    HA   CYS  47           HA       CYS  47  -4.068   6.157  -1.847
  366   1HB   CYS  47          2HB       CYS  47  -1.757   5.717  -3.072
  367   2HB   CYS  47          3HB       CYS  47  -2.477   6.762  -4.296
  368    H    LYS  48           HN       LYS  48  -4.684   5.287  -5.102
  369    HA   LYS  48           HA       LYS  48  -6.838   7.236  -5.278
  370   1HB   LYS  48          2HB       LYS  48  -4.613   8.097  -6.329
  371   2HB   LYS  48          3HB       LYS  48  -4.987   6.965  -7.621
  372   1HG   LYS  48          2HG       LYS  48  -5.810   9.079  -8.288
  373   2HG   LYS  48          3HG       LYS  48  -7.211   8.102  -7.845
  374   1HD   LYS  48          2HD       LYS  48  -6.362   9.408  -5.498
  375   2HD   LYS  48          3HD       LYS  48  -6.351  10.619  -6.781
  376   1HE   LYS  48          2HE       LYS  48  -8.689   8.781  -6.440
  377   2HE   LYS  48          3HE       LYS  48  -8.526  10.217  -5.428
  378   1HZ   LYS  48          1HZ       LYS  48  -9.692  11.093  -7.148
  379   2HZ   LYS  48          2HZ       LYS  48  -9.074  10.010  -8.291
  380   3HZ   LYS  48          3HZ       LYS  48  -8.138  11.320  -7.776
  381    H    SER  49           HN       SER  49  -8.564   6.474  -6.275
  382    HA   SER  49           HA       SER  49  -9.094   3.847  -6.674
  383   1HB   SER  49          2HB       SER  49 -10.447   6.246  -7.130
  384   2HB   SER  49          3HB       SER  49 -10.495   5.406  -8.680
  385    HG   SER  49           HG       SER  49 -12.226   4.666  -7.550
  386    H    CYS  50           HN       CYS  50  -7.543   2.647  -7.704
  387    HA   CYS  50           HA       CYS  50  -7.071   3.244 -10.548
  388   1HB   CYS  50          2HB       CYS  50  -5.117   1.490 -10.016
  389   2HB   CYS  50          3HB       CYS  50  -4.931   3.220  -9.758
  Start of MODEL   28
    1   1H    ASN   1          1H        ASN   1   0.254  17.486  -7.689
    2   2H    ASN   1          2H        ASN   1   0.073  16.689  -9.170
    3   3H    ASN   1          3H        ASN   1  -0.620  16.040  -7.771
    4    HA   ASN   1           HA       ASN   1  -1.717  18.483  -7.802
    5   1HB   ASN   1          2HB       ASN   1  -0.783  17.796 -10.493
    6   2HB   ASN   1          3HB       ASN   1  -2.502  18.179 -10.435
    7   1HD2  ASN   1          1HD2      ASN   1   0.352  19.485 -11.073
    8   2HD2  ASN   1          2HD2      ASN   1   0.081  21.119 -10.581
    9    H    LEU   2           HN       LEU   2  -3.681  18.031  -7.074
   10    HA   LEU   2           HA       LEU   2  -5.644  16.977  -6.644
   11   1HB   LEU   2          2HB       LEU   2  -5.160  16.144  -9.484
   12   2HB   LEU   2          3HB       LEU   2  -6.546  15.536  -8.598
   13    HG   LEU   2           HG       LEU   2  -6.145  18.478  -8.617
   14   1HD1  LEU   2          1HD1      LEU   2  -7.671  17.557 -10.915
   15   2HD1  LEU   2          2HD1      LEU   2  -6.454  18.828 -10.796
   16   3HD1  LEU   2          3HD1      LEU   2  -5.958  17.150 -11.017
   17   1HD2  LEU   2          1HD2      LEU   2  -8.099  18.148  -7.574
   18   2HD2  LEU   2          2HD2      LEU   2  -8.750  17.920  -9.198
   19   3HD2  LEU   2          3HD2      LEU   2  -8.286  16.520  -8.230
   20    H    MET   3           HN       MET   3  -4.439  14.364  -8.694
   21    HA   MET   3           HA       MET   3  -5.003  12.363  -6.805
   22   1HB   MET   3          2HB       MET   3  -3.567  10.916  -8.298
   23   2HB   MET   3          3HB       MET   3  -4.903  11.736  -9.094
   24   1HG   MET   3          2HG       MET   3  -3.446  13.343 -10.064
   25   2HG   MET   3          3HG       MET   3  -2.088  12.786  -9.088
   26   1HE   MET   3          1HE       MET   3  -2.476  11.826 -13.236
   27   2HE   MET   3          2HE       MET   3  -4.036  12.218 -12.512
   28   3HE   MET   3          3HE       MET   3  -2.653  13.280 -12.253
   29    H    LYS   4           HN       LYS   4  -3.529  10.956  -5.676
   30    HA   LYS   4           HA       LYS   4  -1.256  12.438  -4.601
   31   1HB   LYS   4          2HB       LYS   4  -2.441   9.849  -3.584
   32   2HB   LYS   4          3HB       LYS   4  -1.301  10.893  -2.745
   33   1HG   LYS   4          2HG       LYS   4  -3.257  11.528  -1.724
   34   2HG   LYS   4          3HG       LYS   4  -3.230  12.669  -3.077
   35   1HD   LYS   4          2HD       LYS   4  -4.421  10.298  -4.039
   36   2HD   LYS   4          3HD       LYS   4  -5.164  10.650  -2.473
   37   1HE   LYS   4          2HE       LYS   4  -5.163  13.115  -3.565
   38   2HE   LYS   4          3HE       LYS   4  -5.309  12.133  -5.021
   39   1HZ   LYS   4          1HZ       LYS   4  -7.083  11.035  -3.243
   40   2HZ   LYS   4          2HZ       LYS   4  -7.464  12.024  -4.563
   41   3HZ   LYS   4          3HZ       LYS   4  -7.260  12.704  -3.028
   42    H    ARG   5           HN       ARG   5  -1.445   8.914  -4.665
   43    HA   ARG   5           HA       ARG   5   0.210   8.413  -6.853
   44   1HB   ARG   5          2HB       ARG   5   2.298   7.795  -5.411
   45   2HB   ARG   5          3HB       ARG   5   2.065   9.455  -5.941
   46   1HG   ARG   5          2HG       ARG   5   0.790   9.579  -3.592
   47   2HG   ARG   5          3HG       ARG   5   1.948   8.292  -3.231
   48   1HD   ARG   5          2HD       ARG   5   2.471  11.139  -4.014
   49   2HD   ARG   5          3HD       ARG   5   3.071  10.245  -2.618
   50    HE   ARG   5           HE       ARG   5   4.160   8.917  -4.703
   51   1HH1  ARG   5          2HH1      ARG   5   4.086  12.285  -3.804
   52   2HH1  ARG   5          1HH1      ARG   5   5.609  12.647  -4.544
   53   1HH2  ARG   5          2HH2      ARG   5   6.165   9.387  -5.681
   54   2HH2  ARG   5          1HH2      ARG   5   6.789  11.002  -5.612
   55    H    CYS   6           HN       CYS   6  -2.002   7.146  -5.885
   56    HA   CYS   6           HA       CYS   6  -1.898   5.087  -4.135
   57   1HB   CYS   6          2HB       CYS   6  -3.484   3.875  -5.538
   58   2HB   CYS   6          3HB       CYS   6  -3.858   5.593  -5.521
   59    H    THR   7           HN       THR   7  -0.373   3.627  -3.734
   60    HA   THR   7           HA       THR   7   1.219   2.038  -3.986
   61    HB   THR   7           HB       THR   7   0.782   0.274  -5.410
   62    HG1  THR   7           1HG      THR   7   0.117   0.492  -7.488
   63   1HG2  THR   7          1HG2      THR   7  -1.493  -0.129  -5.260
   64   2HG2  THR   7          2HG2      THR   7  -1.920   1.535  -5.661
   65   3HG2  THR   7          3HG2      THR   7  -1.274   1.150  -4.065
   66    H    ARG   8           HN       ARG   8   3.298   1.945  -4.599
   67    HA   ARG   8           HA       ARG   8   4.130   3.722  -6.781
   68   1HB   ARG   8          2HB       ARG   8   6.329   3.719  -5.772
   69   2HB   ARG   8          3HB       ARG   8   5.137   4.082  -4.531
   70   1HG   ARG   8          2HG       ARG   8   5.459   1.290  -4.533
   71   2HG   ARG   8          3HG       ARG   8   7.077   1.989  -4.617
   72   1HD   ARG   8          2HD       ARG   8   6.313   3.522  -2.720
   73   2HD   ARG   8          3HD       ARG   8   4.957   2.411  -2.535
   74    HE   ARG   8           HE       ARG   8   6.373   0.933  -1.525
   75   1HH1  ARG   8          2HH1      ARG   8   8.266   3.233  -3.331
   76   2HH1  ARG   8          1HH1      ARG   8   9.784   2.637  -2.747
   77   1HH2  ARG   8          2HH2      ARG   8   8.367   0.144  -0.749
   78   2HH2  ARG   8          1HH2      ARG   8   9.841   0.881  -1.281
   79    H    GLY   9           HN       GLY   9   2.946   1.136  -7.141
   80   1HA   GLY   9          1HA       GLY   9   3.833  -0.020  -9.250
   81   2HA   GLY   9          2HA       GLY   9   5.178  -0.458  -8.203
   82    H    PHE  10           HN       PHE  10   2.363  -0.273  -6.428
   83    HA   PHE  10           HA       PHE  10   1.057  -1.814  -5.383
   84   1HB   PHE  10          2HB       PHE  10   0.478  -2.049  -7.965
   85   2HB   PHE  10          3HB       PHE  10   1.198  -3.638  -7.744
   86    HD1  PHE  10           1HD      PHE  10  -1.785  -1.931  -7.791
   87    HD2  PHE  10           2HD      PHE  10   0.296  -4.842  -5.488
   88    HE1  PHE  10           1HE      PHE  10  -3.930  -2.768  -6.921
   89    HE2  PHE  10           2HE      PHE  10  -1.844  -5.684  -4.611
   90    HZ   PHE  10           HZ       PHE  10  -3.961  -4.647  -5.329
   91    H    ARG  11           HN       ARG  11   2.716  -2.396  -3.852
   92    HA   ARG  11           HA       ARG  11   3.429  -5.166  -4.079
   93   1HB   ARG  11          2HB       ARG  11   5.881  -4.729  -3.682
   94   2HB   ARG  11          3HB       ARG  11   5.288  -4.358  -5.289
   95   1HG   ARG  11          2HG       ARG  11   6.127  -2.325  -5.107
   96   2HG   ARG  11          3HG       ARG  11   5.028  -2.002  -3.763
   97   1HD   ARG  11          2HD       ARG  11   6.864  -1.789  -2.511
   98   2HD   ARG  11          3HD       ARG  11   6.978  -3.547  -2.615
   99    HE   ARG  11           HE       ARG  11   8.813  -3.308  -3.952
  100   1HH1  ARG  11          2HH1      ARG  11   7.080  -0.286  -3.893
  101   2HH1  ARG  11          1HH1      ARG  11   8.295   0.574  -4.777
  102   1HH2  ARG  11          2HH2      ARG  11  10.419  -2.180  -5.112
  103   2HH2  ARG  11          1HH2      ARG  11  10.194  -0.500  -5.468
  104    H    LYS  12           HN       LYS  12   1.808  -4.460  -2.211
  105    HA   LYS  12           HA       LYS  12   3.406  -4.160   0.251
  106   1HB   LYS  12          2HB       LYS  12   0.459  -3.607  -0.209
  107   2HB   LYS  12          3HB       LYS  12   1.248  -3.532   1.354
  108   1HG   LYS  12          2HG       LYS  12   0.888  -1.312   0.336
  109   2HG   LYS  12          3HG       LYS  12   2.584  -1.657   0.657
  110   1HD   LYS  12          2HD       LYS  12   2.992  -2.098  -1.663
  111   2HD   LYS  12          3HD       LYS  12   1.270  -2.010  -2.032
  112   1HE   LYS  12          2HE       LYS  12   1.462   0.171  -2.392
  113   2HE   LYS  12          3HE       LYS  12   1.996   0.396  -0.727
  114   1HZ   LYS  12          1HZ       LYS  12   3.533   0.392  -3.168
  115   2HZ   LYS  12          2HZ       LYS  12   4.224  -0.523  -1.925
  116   3HZ   LYS  12          3HZ       LYS  12   3.873   1.112  -1.675
  117    H    LEU  13           HN       LEU  13   2.676  -5.626   2.081
  118    HA   LEU  13           HA       LEU  13   1.124  -7.938   1.209
  119   1HB   LEU  13          2HB       LEU  13   3.017  -9.451   2.060
  120   2HB   LEU  13          3HB       LEU  13   3.147  -8.753   0.457
  121    HG   LEU  13           HG       LEU  13   4.376  -6.950   2.281
  122   1HD1  LEU  13          1HD1      LEU  13   4.514  -8.950   3.762
  123   2HD1  LEU  13          2HD1      LEU  13   5.470  -9.747   2.511
  124   3HD1  LEU  13          3HD1      LEU  13   6.080  -8.287   3.292
  125   1HD2  LEU  13          1HD2      LEU  13   5.737  -6.813   0.531
  126   2HD2  LEU  13          2HD2      LEU  13   6.241  -8.491   0.737
  127   3HD2  LEU  13          3HD2      LEU  13   4.819  -8.110  -0.235
  128    H    GLY  14           HN       GLY  14   0.623  -9.485   2.862
  129   1HA   GLY  14          1HA       GLY  14   0.573 -10.202   5.134
  130   2HA   GLY  14          2HA       GLY  14   1.046  -8.586   5.627
  131    H    LYS  15           HN       LYS  15  -1.606  -9.811   3.572
  132    HA   LYS  15           HA       LYS  15  -3.760  -8.876   3.464
  133   1HB   LYS  15          2HB       LYS  15  -3.316 -10.888   5.520
  134   2HB   LYS  15          3HB       LYS  15  -4.755  -9.923   5.829
  135   1HG   LYS  15          2HG       LYS  15  -5.651 -10.494   3.667
  136   2HG   LYS  15          3HG       LYS  15  -4.164 -11.348   3.246
  137   1HD   LYS  15          2HD       LYS  15  -4.817 -12.589   5.560
  138   2HD   LYS  15          3HD       LYS  15  -6.421 -12.189   4.940
  139   1HE   LYS  15          2HE       LYS  15  -5.490 -13.166   2.707
  140   2HE   LYS  15          3HE       LYS  15  -4.314 -13.951   3.761
  141   1HZ   LYS  15          1HZ       LYS  15  -6.318 -15.303   3.284
  142   2HZ   LYS  15          2HZ       LYS  15  -7.253 -14.165   4.117
  143   3HZ   LYS  15          3HZ       LYS  15  -6.059 -15.040   4.935
  144    H    CYS  16           HN       CYS  16  -3.404  -6.624   3.682
  145    HA   CYS  16           HA       CYS  16  -3.617  -4.560   4.602
  146   1HB   CYS  16          2HB       CYS  16  -5.943  -5.455   4.982
  147   2HB   CYS  16          3HB       CYS  16  -5.442  -5.877   6.618
  148    H    THR  17           HN       THR  17  -1.332  -5.522   5.259
  149    HA   THR  17           HA       THR  17  -0.869  -5.803   8.069
  150    HB   THR  17           HB       THR  17   0.674  -6.001   5.589
  151    HG1  THR  17           1HG      THR  17   1.605  -7.239   7.863
  152   1HG2  THR  17          1HG2      THR  17   1.930  -4.136   6.526
  153   2HG2  THR  17          2HG2      THR  17   2.874  -5.620   6.648
  154   3HG2  THR  17          3HG2      THR  17   2.063  -4.972   8.073
  155    H    THR  18           HN       THR  18   0.315  -4.363   9.412
  156    HA   THR  18           HA       THR  18  -0.425  -1.682   9.285
  157    HB   THR  18           HB       THR  18   1.630  -3.186  10.844
  158    HG1  THR  18           1HG      THR  18  -0.258  -3.120  11.894
  159   1HG2  THR  18          1HG2      THR  18   2.576  -1.243  11.835
  160   2HG2  THR  18          2HG2      THR  18   1.437  -0.183  11.005
  161   3HG2  THR  18          3HG2      THR  18   2.692  -1.016  10.088
  162    H    LEU  19           HN       LEU  19   2.715  -3.170   8.516
  163    HA   LEU  19           HA       LEU  19   4.070  -0.916   7.667
  164   1HB   LEU  19          2HB       LEU  19   4.558  -3.644   7.724
  165   2HB   LEU  19          3HB       LEU  19   4.647  -3.247   6.019
  166    HG   LEU  19           HG       LEU  19   6.833  -3.186   7.274
  167   1HD1  LEU  19          1HD1      LEU  19   5.756  -0.928   5.652
  168   2HD1  LEU  19          2HD1      LEU  19   7.383  -0.820   6.322
  169   3HD1  LEU  19          3HD1      LEU  19   6.964  -2.141   5.232
  170   1HD2  LEU  19          1HD2      LEU  19   6.954  -2.048   9.174
  171   2HD2  LEU  19          2HD2      LEU  19   6.669  -0.556   8.277
  172   3HD2  LEU  19          3HD2      LEU  19   5.308  -1.453   8.954
  173    H    GLU  20           HN       GLU  20   1.482  -2.597   6.147
  174    HA   GLU  20           HA       GLU  20   2.023  -1.542   3.527
  175   1HB   GLU  20          2HB       GLU  20   0.601  -3.130   2.855
  176   2HB   GLU  20          3HB       GLU  20   0.442  -3.621   4.533
  177   1HG   GLU  20          2HG       GLU  20  -1.744  -3.327   4.000
  178   2HG   GLU  20          3HG       GLU  20  -1.363  -1.705   4.572
  179    H    GLU  21           HN       GLU  21  -0.380  -0.895   6.083
  180    HA   GLU  21           HA       GLU  21  -1.614   1.272   4.741
  181   1HB   GLU  21          2HB       GLU  21  -2.751   1.699   6.743
  182   2HB   GLU  21          3HB       GLU  21  -2.444  -0.030   6.812
  183   1HG   GLU  21          2HG       GLU  21  -0.340   0.643   8.151
  184   2HG   GLU  21          3HG       GLU  21  -1.177   2.179   8.367
  185    H    GLU  22           HN       GLU  22   1.266   0.865   6.591
  186    HA   GLU  22           HA       GLU  22   1.788   3.648   7.050
  187   1HB   GLU  22          2HB       GLU  22   3.037   1.065   7.699
  188   2HB   GLU  22          3HB       GLU  22   4.178   2.365   7.402
  189   1HG   GLU  22          2HG       GLU  22   2.103   3.336   9.091
  190   2HG   GLU  22          3HG       GLU  22   2.715   1.817   9.745
  191    H    LYS  23           HN       LYS  23   2.673   1.199   4.687
  192    HA   LYS  23           HA       LYS  23   4.778   2.562   3.430
  193   1HB   LYS  23          2HB       LYS  23   4.424   0.249   2.900
  194   2HB   LYS  23          3HB       LYS  23   2.776   0.558   2.370
  195   1HG   LYS  23          2HG       LYS  23   3.488   0.894   0.289
  196   2HG   LYS  23          3HG       LYS  23   4.578   2.162   0.855
  197   1HD   LYS  23          2HD       LYS  23   5.927   0.542  -0.201
  198   2HD   LYS  23          3HD       LYS  23   6.173   0.332   1.527
  199   1HE   LYS  23          2HE       LYS  23   4.679  -1.561   1.550
  200   2HE   LYS  23          3HE       LYS  23   4.272  -1.302  -0.146
  201   1HZ   LYS  23          1HZ       LYS  23   6.471  -1.881  -0.791
  202   2HZ   LYS  23          2HZ       LYS  23   5.923  -3.092   0.254
  203   3HZ   LYS  23          3HZ       LYS  23   7.010  -1.923   0.812
  204    H    CYS  24           HN       CYS  24   1.300   2.762   3.128
  205    HA   CYS  24           HA       CYS  24   1.351   4.489   0.839
  206   1HB   CYS  24          2HB       CYS  24  -1.009   4.236   2.660
  207   2HB   CYS  24          3HB       CYS  24  -0.961   4.394   0.907
  208    H    LYS  25           HN       LYS  25   1.011   4.956   4.337
  209    HA   LYS  25           HA       LYS  25   0.406   7.751   4.075
  210   1HB   LYS  25          2HB       LYS  25   0.592   5.803   6.219
  211   2HB   LYS  25          3HB       LYS  25   1.301   7.347   6.675
  212   1HG   LYS  25          2HG       LYS  25  -1.006   7.324   7.320
  213   2HG   LYS  25          3HG       LYS  25  -0.799   8.464   5.990
  214   1HD   LYS  25          2HD       LYS  25  -1.468   5.697   5.219
  215   2HD   LYS  25          3HD       LYS  25  -2.734   6.583   6.072
  216   1HE   LYS  25          2HE       LYS  25  -1.289   7.561   3.607
  217   2HE   LYS  25          3HE       LYS  25  -2.883   6.810   3.614
  218   1HZ   LYS  25          1HZ       LYS  25  -3.404   8.690   5.310
  219   2HZ   LYS  25          2HZ       LYS  25  -3.414   9.023   3.651
  220   3HZ   LYS  25          3HZ       LYS  25  -2.078   9.460   4.592
  221    H    THR  26           HN       THR  26   3.333   5.892   4.527
  222    HA   THR  26           HA       THR  26   4.913   8.239   5.130
  223    HB   THR  26           HB       THR  26   6.839   6.699   5.141
  224    HG1  THR  26           1HG      THR  26   5.959   4.346   5.074
  225   1HG2  THR  26          1HG2      THR  26   6.104   6.678   7.275
  226   2HG2  THR  26          2HG2      THR  26   5.600   5.033   6.886
  227   3HG2  THR  26          3HG2      THR  26   4.436   6.355   6.805
  228    H    LEU  27           HN       LEU  27   4.370   6.085   2.383
  229    HA   LEU  27           HA       LEU  27   6.366   7.424   0.769
  230   1HB   LEU  27          2HB       LEU  27   4.351   5.267   0.170
  231   2HB   LEU  27          3HB       LEU  27   5.382   5.963  -1.057
  232    HG   LEU  27           HG       LEU  27   5.930   3.696   0.262
  233   1HD1  LEU  27          1HD1      LEU  27   7.345   5.558  -1.385
  234   2HD1  LEU  27          2HD1      LEU  27   8.446   4.776  -0.250
  235   3HD1  LEU  27          3HD1      LEU  27   7.447   3.797  -1.326
  236   1HD2  LEU  27          1HD2      LEU  27   6.175   4.716   2.419
  237   2HD2  LEU  27          2HD2      LEU  27   7.736   4.122   1.857
  238   3HD2  LEU  27          3HD2      LEU  27   7.369   5.846   1.783
  239    H    TYR  28           HN       TYR  28   2.848   7.139   0.936
  240    HA   TYR  28           HA       TYR  28   2.586   9.312  -1.035
  241   1HB   TYR  28          2HB       TYR  28   0.277   7.605  -0.176
  242   2HB   TYR  28          3HB       TYR  28   0.578   8.368  -1.732
  243    HD1  TYR  28           1HD      TYR  28  -0.270   5.461  -1.093
  244    HD2  TYR  28           2HD      TYR  28   3.495   7.236  -1.941
  245    HE1  TYR  28           1HE      TYR  28   0.555   3.305  -1.931
  246    HE2  TYR  28           2HE      TYR  28   4.335   5.085  -2.769
  247    HH   TYR  28           HH       TYR  28   2.274   2.190  -2.759
  248    HA   PRO  29           HA       PRO  29   0.844  11.940   2.042
  249   1HB   PRO  29          2HB       PRO  29  -1.047  13.320   0.683
  250   2HB   PRO  29          3HB       PRO  29   0.685  13.583   0.464
  251   1HG   PRO  29          2HG       PRO  29  -1.245  12.091  -1.242
  252   2HG   PRO  29          3HG       PRO  29   0.144  13.082  -1.717
  253   1HD   PRO  29          2HD       PRO  29   0.138  10.331  -1.636
  254   2HD   PRO  29          3HD       PRO  29   1.595  11.335  -1.534
  255    H    ARG  30           HN       ARG  30  -2.043  11.157   0.081
  256    HA   ARG  30           HA       ARG  30  -3.311   9.506   1.985
  257   1HB   ARG  30          2HB       ARG  30  -4.974  11.121   2.843
  258   2HB   ARG  30          3HB       ARG  30  -3.332  11.491   3.368
  259   1HG   ARG  30          2HG       ARG  30  -3.241  13.419   2.206
  260   2HG   ARG  30          3HG       ARG  30  -4.165  12.763   0.846
  261   1HD   ARG  30          2HD       ARG  30  -6.150  13.434   1.716
  262   2HD   ARG  30          3HD       ARG  30  -5.645  13.142   3.381
  263    HE   ARG  30           HE       ARG  30  -5.043  15.552   1.803
  264   1HH1  ARG  30          2HH1      ARG  30  -5.253  13.881   4.852
  265   2HH1  ARG  30          1HH1      ARG  30  -4.989  15.307   5.799
  266   1HH2  ARG  30          2HH2      ARG  30  -4.693  17.435   3.041
  267   2HH2  ARG  30          1HH2      ARG  30  -4.673  17.328   4.768
  268    H    GLY  31           HN       GLY  31  -5.880  11.166   1.467
  269   1HA   GLY  31          1HA       GLY  31  -7.568  11.273  -0.085
  270   2HA   GLY  31          2HA       GLY  31  -6.344  11.100  -1.337
  271    H    GLN  32           HN       GLN  32  -8.223   9.270   1.050
  272    HA   GLN  32           HA       GLN  32  -9.001   7.123   1.033
  273   1HB   GLN  32          2HB       GLN  32  -8.711   7.536  -1.952
  274   2HB   GLN  32          3HB       GLN  32  -9.466   6.119  -1.231
  275   1HG   GLN  32          2HG       GLN  32 -10.408   8.969  -1.101
  276   2HG   GLN  32          3HG       GLN  32 -11.194   7.603  -1.890
  277   1HE2  GLN  32          1HE2      GLN  32 -11.092   5.667  -0.009
  278   2HE2  GLN  32          2HE2      GLN  32 -11.995   6.133   1.388
  279    H    CYS  33           HN       CYS  33  -6.125   7.811   1.073
  280    HA   CYS  33           HA       CYS  33  -4.885   5.423  -0.079
  281   1HB   CYS  33          2HB       CYS  33  -3.945   7.809  -0.329
  282   2HB   CYS  33          3HB       CYS  33  -3.458   7.656   1.353
  283    H    THR  34           HN       THR  34  -4.430   3.725   1.148
  284    HA   THR  34           HA       THR  34  -3.353   3.743   3.699
  285    HB   THR  34           HB       THR  34  -5.465   4.680   4.469
  286    HG1  THR  34           1HG      THR  34  -4.895   3.448   6.108
  287   1HG2  THR  34          1HG2      THR  34  -6.702   3.341   2.517
  288   2HG2  THR  34          2HG2      THR  34  -7.542   3.888   3.968
  289   3HG2  THR  34          3HG2      THR  34  -7.000   2.215   3.841
  290    H    CYS  35           HN       CYS  35  -5.452   1.352   4.260
  291    HA   CYS  35           HA       CYS  35  -3.806  -0.568   2.790
  292   1HB   CYS  35          2HB       CYS  35  -3.815  -1.653   4.746
  293   2HB   CYS  35          3HB       CYS  35  -4.980  -0.515   5.413
  294    H    SER  36           HN       SER  36  -4.568  -1.736   1.151
  295    HA   SER  36           HA       SER  36  -7.442  -2.134   0.845
  296   1HB   SER  36          2HB       SER  36  -6.153  -0.107  -0.552
  297   2HB   SER  36          3HB       SER  36  -6.224  -1.435  -1.709
  298    HG   SER  36           HG       SER  36  -8.111   0.151  -1.391
  299    H    ASP  37           HN       ASP  37  -7.771  -4.208   0.479
  300    HA   ASP  37           HA       ASP  37  -5.893  -5.694  -1.223
  301   1HB   ASP  37          2HB       ASP  37  -5.381  -6.181   1.159
  302   2HB   ASP  37          3HB       ASP  37  -7.040  -6.731   1.381
  303    H    SER  38           HN       SER  38  -6.813  -7.585  -2.227
  304    HA   SER  38           HA       SER  38  -9.704  -7.307  -2.632
  305   1HB   SER  38          2HB       SER  38  -8.574  -7.198  -4.707
  306   2HB   SER  38          3HB       SER  38  -7.503  -8.535  -4.288
  307    HG   SER  38           HG       SER  38  -9.319  -9.002  -5.760
  308    H    LYS  39           HN       LYS  39  -7.435 -10.053  -2.726
  309    HA   LYS  39           HA       LYS  39  -8.672 -11.465  -0.606
  310   1HB   LYS  39          2HB       LYS  39 -10.272 -11.571  -2.743
  311   2HB   LYS  39          3HB       LYS  39  -9.186 -12.886  -3.171
  312   1HG   LYS  39          2HG       LYS  39  -9.704 -13.581  -0.647
  313   2HG   LYS  39          3HG       LYS  39 -11.193 -12.706  -1.012
  314   1HD   LYS  39          2HD       LYS  39 -11.959 -14.390  -2.250
  315   2HD   LYS  39          3HD       LYS  39 -10.467 -14.451  -3.190
  316   1HE   LYS  39          2HE       LYS  39  -9.642 -15.570  -0.871
  317   2HE   LYS  39          3HE       LYS  39 -11.331 -16.077  -0.891
  318   1HZ   LYS  39          1HZ       LYS  39 -10.805 -16.777  -3.295
  319   2HZ   LYS  39          2HZ       LYS  39 -10.264 -17.758  -2.029
  320   3HZ   LYS  39          3HZ       LYS  39  -9.186 -16.714  -2.808
  321    H    MET  40           HN       MET  40  -6.072 -10.859  -1.086
  322    HA   MET  40           HA       MET  40  -4.889 -13.504  -1.319
  323   1HB   MET  40          2HB       MET  40  -4.383 -11.267  -3.231
  324   2HB   MET  40          3HB       MET  40  -3.033 -12.298  -2.776
  325   1HG   MET  40          2HG       MET  40  -3.721 -13.934  -4.103
  326   2HG   MET  40          3HG       MET  40  -5.367 -13.851  -3.477
  327   1HE   MET  40          1HE       MET  40  -3.574 -10.854  -6.171
  328   2HE   MET  40          2HE       MET  40  -2.740 -12.224  -5.438
  329   3HE   MET  40          3HE       MET  40  -3.382 -12.357  -7.075
  330    H    ASN  41           HN       ASN  41  -2.616 -13.527  -0.603
  331    HA   ASN  41           HA       ASN  41  -2.268 -12.185   1.824
  332   1HB   ASN  41          2HB       ASN  41  -1.131 -14.343   0.867
  333   2HB   ASN  41          3HB       ASN  41   0.082 -13.214   0.271
  334   1HD2  ASN  41          1HD2      ASN  41  -0.212 -15.336   2.521
  335   2HD2  ASN  41          2HD2      ASN  41   0.539 -14.562   3.870
  336    H    THR  42           HN       THR  42  -1.318 -11.331  -1.436
  337    HA   THR  42           HA       THR  42   0.201  -9.041  -0.418
  338    HB   THR  42           HB       THR  42   0.463  -8.793  -3.089
  339    HG1  THR  42           1HG      THR  42  -0.707 -10.697  -3.549
  340   1HG2  THR  42          1HG2      THR  42   2.027  -9.923  -0.917
  341   2HG2  THR  42          2HG2      THR  42   2.530  -8.873  -2.242
  342   3HG2  THR  42          3HG2      THR  42   2.456 -10.619  -2.480
  343    H    HIS  43           HN       HIS  43  -0.356  -6.991  -0.760
  344    HA   HIS  43           HA       HIS  43  -2.625  -6.252  -2.432
  345   1HB   HIS  43          2HB       HIS  43  -3.531  -4.932  -0.392
  346   2HB   HIS  43          3HB       HIS  43  -3.863  -6.660  -0.458
  347    HD1  HIS  43           1HD      HIS  43  -1.974  -8.122   0.894
  348    HD2  HIS  43           2HD      HIS  43  -2.445  -4.143   1.967
  349    HE1  HIS  43           1HE      HIS  43  -0.931  -7.897   3.148
  350    HE2  HIS  43           2HE      HIS  43  -1.203  -5.484   3.781
  351    H    SER  44           HN       SER  44  -2.965  -3.676  -1.735
  352    HA   SER  44           HA       SER  44  -0.456  -2.405  -1.159
  353   1HB   SER  44          2HB       SER  44  -0.206  -1.153  -3.208
  354   2HB   SER  44          3HB       SER  44  -0.195  -2.883  -3.576
  355    HG   SER  44           HG       SER  44  -2.712  -2.054  -3.682
  356    H    CYS  45           HN       CYS  45  -1.408   0.083  -2.546
  357    HA   CYS  45           HA       CYS  45  -3.439   0.793  -0.538
  358   1HB   CYS  45          2HB       CYS  45  -1.822   2.835  -2.014
  359   2HB   CYS  45          3HB       CYS  45  -2.523   2.916  -0.399
  360    H    ASP  46           HN       ASP  46  -4.757   2.813  -1.289
  361    HA   ASP  46           HA       ASP  46  -5.476   2.639  -4.116
  362   1HB   ASP  46          2HB       ASP  46  -6.907   1.088  -2.580
  363   2HB   ASP  46          3HB       ASP  46  -7.680   2.589  -2.081
  364    H    CYS  47           HN       CYS  47  -4.104   4.678  -2.767
  365    HA   CYS  47           HA       CYS  47  -5.656   6.813  -1.849
  366   1HB   CYS  47          2HB       CYS  47  -3.374   7.582  -3.512
  367   2HB   CYS  47          3HB       CYS  47  -3.701   7.946  -1.820
  368    H    LYS  48           HN       LYS  48  -5.211   5.524  -4.964
  369    HA   LYS  48           HA       LYS  48  -7.008   7.516  -6.087
  370   1HB   LYS  48          2HB       LYS  48  -4.384   7.941  -6.464
  371   2HB   LYS  48          3HB       LYS  48  -4.682   6.836  -7.797
  372   1HG   LYS  48          2HG       LYS  48  -6.547   9.116  -7.450
  373   2HG   LYS  48          3HG       LYS  48  -4.924   9.453  -8.057
  374   1HD   LYS  48          2HD       LYS  48  -6.404   7.197  -9.290
  375   2HD   LYS  48          3HD       LYS  48  -6.953   8.830  -9.668
  376   1HE   LYS  48          2HE       LYS  48  -4.505   9.338 -10.197
  377   2HE   LYS  48          3HE       LYS  48  -4.264   7.591 -10.179
  378   1HZ   LYS  48          1HZ       LYS  48  -5.940   9.189 -12.018
  379   2HZ   LYS  48          2HZ       LYS  48  -6.156   7.521 -11.846
  380   3HZ   LYS  48          3HZ       LYS  48  -4.678   8.128 -12.398
  381    H    SER  49           HN       SER  49  -8.253   6.783  -7.700
  382    HA   SER  49           HA       SER  49  -8.819   4.058  -7.861
  383   1HB   SER  49          2HB       SER  49 -10.126   6.274  -8.641
  384   2HB   SER  49          3HB       SER  49  -9.531   5.728 -10.210
  385    HG   SER  49           HG       SER  49 -11.532   4.788  -9.797
  386    H    CYS  50           HN       CYS  50  -6.883   2.950  -8.266
  387    HA   CYS  50           HA       CYS  50  -6.165   2.834 -11.101
  388   1HB   CYS  50          2HB       CYS  50  -3.764   2.751 -10.554
  389   2HB   CYS  50          3HB       CYS  50  -4.483   4.288 -10.086
  Start of MODEL   29
    1   1H    ASN   1          1H        ASN   1  -9.183  14.667 -10.135
    2   2H    ASN   1          2H        ASN   1 -10.368  15.413 -11.084
    3   3H    ASN   1          3H        ASN   1 -10.789  14.140 -10.054
    4    HA   ASN   1           HA       ASN   1 -10.489  16.937  -9.494
    5   1HB   ASN   1          2HB       ASN   1 -11.869  14.532  -8.328
    6   2HB   ASN   1          3HB       ASN   1 -11.841  16.060  -7.451
    7   1HD2  ASN   1          1HD2      ASN   1 -12.781  14.543 -10.481
    8   2HD2  ASN   1          2HD2      ASN   1 -14.053  15.651 -10.855
    9    H    LEU   2           HN       LEU   2  -9.643  13.954  -7.721
   10    HA   LEU   2           HA       LEU   2  -7.467  15.444  -6.421
   11   1HB   LEU   2          2HB       LEU   2  -9.348  13.506  -5.073
   12   2HB   LEU   2          3HB       LEU   2  -7.939  14.233  -4.324
   13    HG   LEU   2           HG       LEU   2  -9.357  16.429  -5.200
   14   1HD1  LEU   2          1HD1      LEU   2 -11.534  16.024  -5.319
   15   2HD1  LEU   2          2HD1      LEU   2 -11.171  14.300  -5.238
   16   3HD1  LEU   2          3HD1      LEU   2 -11.516  15.199  -3.761
   17   1HD2  LEU   2          1HD2      LEU   2  -8.185  16.046  -3.031
   18   2HD2  LEU   2          2HD2      LEU   2  -9.751  16.845  -2.876
   19   3HD2  LEU   2          3HD2      LEU   2  -9.593  15.131  -2.490
   20    H    MET   3           HN       MET   3  -5.605  14.541  -6.972
   21    HA   MET   3           HA       MET   3  -5.435  11.606  -7.071
   22   1HB   MET   3          2HB       MET   3  -3.705  13.161  -8.920
   23   2HB   MET   3          3HB       MET   3  -4.407  11.561  -9.117
   24   1HG   MET   3          2HG       MET   3  -6.007  12.404 -10.382
   25   2HG   MET   3          3HG       MET   3  -6.523  13.449  -9.061
   26   1HE   MET   3          1HE       MET   3  -5.915  15.501  -8.546
   27   2HE   MET   3          2HE       MET   3  -4.726  16.558  -9.307
   28   3HE   MET   3          3HE       MET   3  -6.380  16.505  -9.919
   29    H    LYS   4           HN       LYS   4  -3.779  10.756  -5.953
   30    HA   LYS   4           HA       LYS   4  -1.750  12.623  -4.925
   31   1HB   LYS   4          2HB       LYS   4  -2.599  10.006  -3.673
   32   2HB   LYS   4          3HB       LYS   4  -1.534  11.218  -2.974
   33   1HG   LYS   4          2HG       LYS   4  -3.497  11.695  -1.875
   34   2HG   LYS   4          3HG       LYS   4  -3.644  12.764  -3.278
   35   1HD   LYS   4          2HD       LYS   4  -4.662  10.299  -4.122
   36   2HD   LYS   4          3HD       LYS   4  -5.303  10.540  -2.492
   37   1HE   LYS   4          2HE       LYS   4  -5.728  12.988  -3.471
   38   2HE   LYS   4          3HE       LYS   4  -5.794  12.077  -4.978
   39   1HZ   LYS   4          1HZ       LYS   4  -7.646  12.104  -2.749
   40   2HZ   LYS   4          2HZ       LYS   4  -7.341  10.578  -3.410
   41   3HZ   LYS   4          3HZ       LYS   4  -7.932  11.821  -4.394
   42    H    ARG   5           HN       ARG   5  -1.620   9.095  -4.794
   43    HA   ARG   5           HA       ARG   5   0.005   8.629  -7.015
   44   1HB   ARG   5          2HB       ARG   5   2.177   8.254  -5.630
   45   2HB   ARG   5          3HB       ARG   5   1.786   9.871  -6.197
   46   1HG   ARG   5          2HG       ARG   5   0.673  10.182  -3.895
   47   2HG   ARG   5          3HG       ARG   5   1.600   8.751  -3.429
   48   1HD   ARG   5          2HD       ARG   5   2.672  11.373  -4.455
   49   2HD   ARG   5          3HD       ARG   5   2.872  10.693  -2.841
   50    HE   ARG   5           HE       ARG   5   4.206   8.907  -3.941
   51   1HH1  ARG   5          2HH1      ARG   5   3.816  12.006  -5.488
   52   2HH1  ARG   5          1HH1      ARG   5   5.274  11.870  -6.412
   53   1HH2  ARG   5          2HH2      ARG   5   6.127   8.723  -5.153
   54   2HH2  ARG   5          1HH2      ARG   5   6.587  10.004  -6.222
   55    H    CYS   6           HN       CYS   6  -2.079   7.270  -5.838
   56    HA   CYS   6           HA       CYS   6  -1.668   5.296  -4.026
   57   1HB   CYS   6          2HB       CYS   6  -3.684   4.648  -4.723
   58   2HB   CYS   6          3HB       CYS   6  -3.551   5.823  -6.023
   59    H    THR   7           HN       THR   7  -0.631   3.420  -3.836
   60    HA   THR   7           HA       THR   7   0.882   1.779  -4.184
   61    HB   THR   7           HB       THR   7   0.648   0.425  -6.100
   62    HG1  THR   7           1HG      THR   7  -0.331   1.245  -8.029
   63   1HG2  THR   7          1HG2      THR   7  -1.892   1.836  -5.347
   64   2HG2  THR   7          2HG2      THR   7  -1.335   0.227  -4.884
   65   3HG2  THR   7          3HG2      THR   7  -1.891   0.528  -6.530
   66    H    ARG   8           HN       ARG   8   2.987   1.697  -4.380
   67    HA   ARG   8           HA       ARG   8   4.343   3.616  -6.144
   68   1HB   ARG   8          2HB       ARG   8   4.738   3.185  -3.502
   69   2HB   ARG   8          3HB       ARG   8   5.875   2.021  -4.165
   70   1HG   ARG   8          2HG       ARG   8   7.198   3.645  -5.116
   71   2HG   ARG   8          3HG       ARG   8   5.892   4.834  -5.154
   72   1HD   ARG   8          2HD       ARG   8   6.001   5.090  -2.757
   73   2HD   ARG   8          3HD       ARG   8   7.194   3.799  -2.641
   74    HE   ARG   8           HE       ARG   8   7.668   6.536  -3.389
   75   1HH1  ARG   8          2HH1      ARG   8   8.837   3.259  -3.599
   76   2HH1  ARG   8          1HH1      ARG   8  10.481   3.728  -3.880
   77   1HH2  ARG   8          2HH2      ARG   8   9.831   7.160  -3.756
   78   2HH2  ARG   8          1HH2      ARG   8  11.046   5.942  -3.962
   79    H    GLY   9           HN       GLY   9   3.092   1.203  -7.012
   80   1HA   GLY   9          1HA       GLY   9   4.202   0.089  -8.990
   81   2HA   GLY   9          2HA       GLY   9   5.400  -0.448  -7.814
   82    H    PHE  10           HN       PHE  10   2.444  -0.254  -6.342
   83    HA   PHE  10           HA       PHE  10   0.926  -1.764  -5.578
   84   1HB   PHE  10          2HB       PHE  10   1.390  -2.543  -8.386
   85   2HB   PHE  10          3HB       PHE  10   0.721  -3.813  -7.371
   86    HD1  PHE  10           1HD      PHE  10   0.001  -0.975  -9.349
   87    HD2  PHE  10           2HD      PHE  10  -1.374  -3.196  -5.989
   88    HE1  PHE  10           1HE      PHE  10  -2.245  -0.014  -9.638
   89    HE2  PHE  10           2HE      PHE  10  -3.623  -2.238  -6.275
   90    HZ   PHE  10           HZ       PHE  10  -4.061  -0.646  -8.100
   91    H    ARG  11           HN       ARG  11   2.644  -2.283  -3.908
   92    HA   ARG  11           HA       ARG  11   3.075  -5.125  -3.974
   93   1HB   ARG  11          2HB       ARG  11   5.548  -4.919  -3.547
   94   2HB   ARG  11          3HB       ARG  11   5.028  -4.537  -5.180
   95   1HG   ARG  11          2HG       ARG  11   6.009  -2.559  -5.038
   96   2HG   ARG  11          3HG       ARG  11   4.989  -2.136  -3.659
   97   1HD   ARG  11          2HD       ARG  11   6.738  -2.262  -2.307
   98   2HD   ARG  11          3HD       ARG  11   6.992  -3.945  -2.774
   99    HE   ARG  11           HE       ARG  11   8.447  -1.635  -3.709
  100   1HH1  ARG  11          2HH1      ARG  11   7.591  -4.956  -4.326
  101   2HH1  ARG  11          1HH1      ARG  11   8.966  -5.256  -5.335
  102   1HH2  ARG  11          2HH2      ARG  11  10.261  -2.022  -5.034
  103   2HH2  ARG  11          1HH2      ARG  11  10.484  -3.590  -5.736
  104    H    LYS  12           HN       LYS  12   1.630  -4.826  -2.160
  105    HA   LYS  12           HA       LYS  12   3.124  -4.301   0.317
  106   1HB   LYS  12          2HB       LYS  12   0.189  -3.719  -0.190
  107   2HB   LYS  12          3HB       LYS  12   0.995  -3.562   1.361
  108   1HG   LYS  12          2HG       LYS  12   0.762  -1.385   0.383
  109   2HG   LYS  12          3HG       LYS  12   2.467  -1.830   0.371
  110   1HD   LYS  12          2HD       LYS  12   2.486  -2.159  -1.932
  111   2HD   LYS  12          3HD       LYS  12   0.733  -2.331  -2.020
  112   1HE   LYS  12          2HE       LYS  12   0.445   0.025  -1.571
  113   2HE   LYS  12          3HE       LYS  12   2.182   0.223  -1.330
  114   1HZ   LYS  12          1HZ       LYS  12   0.695   0.249  -3.748
  115   2HZ   LYS  12          2HZ       LYS  12   1.905  -0.931  -3.813
  116   3HZ   LYS  12          3HZ       LYS  12   2.311   0.676  -3.482
  117    H    LEU  13           HN       LEU  13   2.700  -5.853   2.025
  118    HA   LEU  13           HA       LEU  13   0.923  -8.072   1.310
  119   1HB   LEU  13          2HB       LEU  13   2.884  -9.622   2.045
  120   2HB   LEU  13          3HB       LEU  13   2.792  -9.021   0.401
  121    HG   LEU  13           HG       LEU  13   4.285  -7.096   1.764
  122   1HD1  LEU  13          1HD1      LEU  13   4.857  -9.861   2.750
  123   2HD1  LEU  13          2HD1      LEU  13   6.159  -8.684   2.583
  124   3HD1  LEU  13          3HD1      LEU  13   4.794  -8.344   3.646
  125   1HD2  LEU  13          1HD2      LEU  13   6.050  -7.777   0.311
  126   2HD2  LEU  13          2HD2      LEU  13   5.351  -9.385   0.119
  127   3HD2  LEU  13          3HD2      LEU  13   4.532  -7.981  -0.564
  128    H    GLY  14           HN       GLY  14   0.446  -9.563   2.992
  129   1HA   GLY  14          1HA       GLY  14   0.613 -10.290   5.279
  130   2HA   GLY  14          2HA       GLY  14   1.129  -8.669   5.716
  131    H    LYS  15           HN       LYS  15  -1.611  -9.509   3.653
  132    HA   LYS  15           HA       LYS  15  -3.749  -8.663   3.727
  133   1HB   LYS  15          2HB       LYS  15  -3.280 -10.690   5.736
  134   2HB   LYS  15          3HB       LYS  15  -4.603  -9.630   6.210
  135   1HG   LYS  15          2HG       LYS  15  -5.581 -10.038   3.918
  136   2HG   LYS  15          3HG       LYS  15  -4.366 -11.302   3.724
  137   1HD   LYS  15          2HD       LYS  15  -5.598 -12.729   4.908
  138   2HD   LYS  15          3HD       LYS  15  -5.683 -11.595   6.258
  139   1HE   LYS  15          2HE       LYS  15  -7.790 -11.062   5.777
  140   2HE   LYS  15          3HE       LYS  15  -7.396 -10.769   4.085
  141   1HZ   LYS  15          1HZ       LYS  15  -8.031 -13.396   5.317
  142   2HZ   LYS  15          2HZ       LYS  15  -7.549 -13.179   3.711
  143   3HZ   LYS  15          3HZ       LYS  15  -9.011 -12.521   4.250
  144    H    CYS  16           HN       CYS  16  -3.357  -6.430   3.863
  145    HA   CYS  16           HA       CYS  16  -3.362  -4.338   4.747
  146   1HB   CYS  16          2HB       CYS  16  -5.599  -5.780   5.908
  147   2HB   CYS  16          3HB       CYS  16  -5.029  -4.505   6.981
  148    H    THR  17           HN       THR  17  -1.156  -5.523   5.416
  149    HA   THR  17           HA       THR  17  -0.666  -5.682   8.232
  150    HB   THR  17           HB       THR  17   0.793  -6.180   5.741
  151    HG1  THR  17           1HG      THR  17   0.908  -7.235   8.390
  152   1HG2  THR  17          1HG2      THR  17   2.225  -4.376   6.629
  153   2HG2  THR  17          2HG2      THR  17   3.037  -5.941   6.666
  154   3HG2  THR  17          3HG2      THR  17   2.376  -5.256   8.150
  155    H    THR  18           HN       THR  18   0.796  -4.315   9.418
  156    HA   THR  18           HA       THR  18   0.266  -1.603   9.261
  157    HB   THR  18           HB       THR  18   2.491  -3.132  10.585
  158    HG1  THR  18           1HG      THR  18   0.013  -2.211  11.242
  159   1HG2  THR  18          1HG2      THR  18   3.083  -0.696   9.741
  160   2HG2  THR  18          2HG2      THR  18   3.562  -1.249  11.347
  161   3HG2  THR  18          3HG2      THR  18   2.138  -0.228  11.156
  162    H    LEU  19           HN       LEU  19   3.290  -3.243   8.295
  163    HA   LEU  19           HA       LEU  19   4.648  -1.092   7.251
  164   1HB   LEU  19          2HB       LEU  19   4.965  -3.862   7.261
  165   2HB   LEU  19          3HB       LEU  19   4.970  -3.426   5.563
  166    HG   LEU  19           HG       LEU  19   7.236  -3.510   6.557
  167   1HD1  LEU  19          1HD1      LEU  19   6.122  -1.534   4.903
  168   2HD1  LEU  19          2HD1      LEU  19   7.221  -0.700   6.002
  169   3HD1  LEU  19          3HD1      LEU  19   7.811  -2.032   5.008
  170   1HD2  LEU  19          1HD2      LEU  19   7.290  -2.790   8.694
  171   2HD2  LEU  19          2HD2      LEU  19   7.604  -1.228   7.937
  172   3HD2  LEU  19          3HD2      LEU  19   5.970  -1.644   8.453
  173    H    GLU  20           HN       GLU  20   1.903  -2.740   5.939
  174    HA   GLU  20           HA       GLU  20   2.248  -1.622   3.304
  175   1HB   GLU  20          2HB       GLU  20  -0.289  -2.862   4.336
  176   2HB   GLU  20          3HB       GLU  20   0.298  -2.791   2.680
  177   1HG   GLU  20          2HG       GLU  20   1.050  -4.620   4.889
  178   2HG   GLU  20          3HG       GLU  20   0.728  -4.971   3.193
  179    H    GLU  21           HN       GLU  21   0.008  -1.115   6.032
  180    HA   GLU  21           HA       GLU  21  -1.398   1.023   4.851
  181   1HB   GLU  21          2HB       GLU  21  -2.279   1.480   7.004
  182   2HB   GLU  21          3HB       GLU  21  -2.036  -0.259   6.965
  183   1HG   GLU  21          2HG       GLU  21  -0.255  -0.178   8.425
  184   2HG   GLU  21          3HG       GLU  21   0.079   1.519   8.086
  185    H    GLU  22           HN       GLU  22   1.693   0.681   6.268
  186    HA   GLU  22           HA       GLU  22   2.233   3.435   6.781
  187   1HB   GLU  22          2HB       GLU  22   3.668   0.874   6.929
  188   2HB   GLU  22          3HB       GLU  22   4.681   2.227   6.455
  189   1HG   GLU  22          2HG       GLU  22   3.068   3.047   8.642
  190   2HG   GLU  22          3HG       GLU  22   3.803   1.494   9.040
  191    H    LYS  23           HN       LYS  23   3.259   1.118   4.262
  192    HA   LYS  23           HA       LYS  23   4.714   2.702   2.598
  193   1HB   LYS  23          2HB       LYS  23   4.294   0.350   2.122
  194   2HB   LYS  23          3HB       LYS  23   2.599   0.693   1.798
  195   1HG   LYS  23          2HG       LYS  23   3.069   1.103  -0.328
  196   2HG   LYS  23          3HG       LYS  23   4.231   2.349   0.147
  197   1HD   LYS  23          2HD       LYS  23   5.255   0.586  -1.210
  198   2HD   LYS  23          3HD       LYS  23   5.966   0.673   0.397
  199   1HE   LYS  23          2HE       LYS  23   3.823  -1.128   0.576
  200   2HE   LYS  23          3HE       LYS  23   4.668  -1.529  -0.918
  201   1HZ   LYS  23          1HZ       LYS  23   5.427  -2.093   1.729
  202   2HZ   LYS  23          2HZ       LYS  23   6.597  -1.085   1.040
  203   3HZ   LYS  23          3HZ       LYS  23   6.197  -2.548   0.292
  204    H    CYS  24           HN       CYS  24   1.218   2.646   2.976
  205    HA   CYS  24           HA       CYS  24   0.680   4.424   0.827
  206   1HB   CYS  24          2HB       CYS  24  -1.171   4.070   3.152
  207   2HB   CYS  24          3HB       CYS  24  -1.552   4.271   1.445
  208    H    LYS  25           HN       LYS  25   0.958   4.925   4.352
  209    HA   LYS  25           HA       LYS  25   0.346   7.730   4.099
  210   1HB   LYS  25          2HB       LYS  25   0.856   5.839   6.294
  211   2HB   LYS  25          3HB       LYS  25   1.365   7.492   6.607
  212   1HG   LYS  25          2HG       LYS  25  -0.875   7.164   7.419
  213   2HG   LYS  25          3HG       LYS  25  -0.903   8.273   6.048
  214   1HD   LYS  25          2HD       LYS  25  -1.263   5.397   5.440
  215   2HD   LYS  25          3HD       LYS  25  -2.584   6.196   6.293
  216   1HE   LYS  25          2HE       LYS  25  -1.358   7.080   3.679
  217   2HE   LYS  25          3HE       LYS  25  -2.919   6.282   3.878
  218   1HZ   LYS  25          1HZ       LYS  25  -2.598   8.667   5.470
  219   2HZ   LYS  25          2HZ       LYS  25  -3.893   8.182   4.495
  220   3HZ   LYS  25          3HZ       LYS  25  -2.554   8.946   3.801
  221    H    THR  26           HN       THR  26   3.312   5.946   4.972
  222    HA   THR  26           HA       THR  26   4.909   8.273   5.164
  223    HB   THR  26           HB       THR  26   6.809   6.479   4.808
  224    HG1  THR  26           1HG      THR  26   6.155   4.433   4.941
  225   1HG2  THR  26          1HG2      THR  26   5.698   5.723   7.303
  226   2HG2  THR  26          2HG2      THR  26   5.298   7.420   7.036
  227   3HG2  THR  26          3HG2      THR  26   6.980   6.893   6.989
  228    H    LEU  27           HN       LEU  27   4.333   5.986   2.487
  229    HA   LEU  27           HA       LEU  27   6.284   7.343   0.834
  230   1HB   LEU  27          2HB       LEU  27   4.307   5.224   0.028
  231   2HB   LEU  27          3HB       LEU  27   5.648   5.800  -0.927
  232    HG   LEU  27           HG       LEU  27   5.703   3.521   0.413
  233   1HD1  LEU  27          1HD1      LEU  27   7.691   5.337  -0.611
  234   2HD1  LEU  27          2HD1      LEU  27   8.327   4.300   0.666
  235   3HD1  LEU  27          3HD1      LEU  27   7.565   3.582  -0.755
  236   1HD2  LEU  27          1HD2      LEU  27   6.866   5.458   2.387
  237   2HD2  LEU  27          2HD2      LEU  27   5.408   4.493   2.609
  238   3HD2  LEU  27          3HD2      LEU  27   6.977   3.701   2.469
  239    H    TYR  28           HN       TYR  28   2.754   7.004   1.000
  240    HA   TYR  28           HA       TYR  28   2.503   9.103  -1.059
  241   1HB   TYR  28          2HB       TYR  28   0.166   7.464  -0.166
  242   2HB   TYR  28          3HB       TYR  28   0.505   8.151  -1.747
  243    HD1  TYR  28           1HD      TYR  28  -0.448   5.323  -1.032
  244    HD2  TYR  28           2HD      TYR  28   3.407   6.918  -1.832
  245    HE1  TYR  28           1HE      TYR  28   0.315   3.103  -1.755
  246    HE2  TYR  28           2HE      TYR  28   4.183   4.703  -2.548
  247    HH   TYR  28           HH       TYR  28   1.975   2.011  -2.904
  248    HA   PRO  29           HA       PRO  29   0.771  11.866   1.913
  249   1HB   PRO  29          2HB       PRO  29  -1.129  13.179   0.484
  250   2HB   PRO  29          3HB       PRO  29   0.603  13.458   0.285
  251   1HG   PRO  29          2HG       PRO  29  -1.263  11.848  -1.395
  252   2HG   PRO  29          3HG       PRO  29   0.085  12.884  -1.891
  253   1HD   PRO  29          2HD       PRO  29   0.233  10.158  -1.760
  254   2HD   PRO  29          3HD       PRO  29   1.633  11.229  -1.570
  255    H    ARG  30           HN       ARG  30  -2.117  11.067  -0.032
  256    HA   ARG  30           HA       ARG  30  -3.374   9.387   1.839
  257   1HB   ARG  30          2HB       ARG  30  -5.011  10.954   2.792
  258   2HB   ARG  30          3HB       ARG  30  -3.363  11.352   3.271
  259   1HG   ARG  30          2HG       ARG  30  -3.396  13.332   2.223
  260   2HG   ARG  30          3HG       ARG  30  -4.227  12.672   0.805
  261   1HD   ARG  30          2HD       ARG  30  -6.210  13.399   1.530
  262   2HD   ARG  30          3HD       ARG  30  -5.945  12.742   3.146
  263    HE   ARG  30           HE       ARG  30  -4.403  15.061   2.868
  264   1HH1  ARG  30          2HH1      ARG  30  -7.750  14.106   3.046
  265   2HH1  ARG  30          1HH1      ARG  30  -8.274  15.603   3.741
  266   1HH2  ARG  30          2HH2      ARG  30  -5.085  17.034   3.783
  267   2HH2  ARG  30          1HH2      ARG  30  -6.760  17.268   4.158
  268    H    GLY  31           HN       GLY  31  -5.955  11.045   1.400
  269   1HA   GLY  31          1HA       GLY  31  -7.641  11.229  -0.152
  270   2HA   GLY  31          2HA       GLY  31  -6.430  11.028  -1.413
  271    H    GLN  32           HN       GLN  32  -8.398   9.273   0.939
  272    HA   GLN  32           HA       GLN  32  -9.223   7.145   0.939
  273   1HB   GLN  32          2HB       GLN  32  -8.839   7.419  -2.055
  274   2HB   GLN  32          3HB       GLN  32  -9.770   6.151  -1.267
  275   1HG   GLN  32          2HG       GLN  32 -11.433   7.596  -1.858
  276   2HG   GLN  32          3HG       GLN  32 -11.072   8.168  -0.230
  277   1HE2  GLN  32          1HE2      GLN  32 -10.469  10.219   0.046
  278   2HE2  GLN  32          2HE2      GLN  32 -10.142  11.339  -1.227
  279    H    CYS  33           HN       CYS  33  -6.330   7.771   1.014
  280    HA   CYS  33           HA       CYS  33  -5.122   5.342  -0.084
  281   1HB   CYS  33          2HB       CYS  33  -4.116   7.688  -0.362
  282   2HB   CYS  33          3HB       CYS  33  -3.687   7.580   1.339
  283    H    THR  34           HN       THR  34  -4.692   3.655   1.162
  284    HA   THR  34           HA       THR  34  -3.702   3.724   3.767
  285    HB   THR  34           HB       THR  34  -5.984   4.571   4.299
  286    HG1  THR  34           1HG      THR  34  -6.310   2.428   5.741
  287   1HG2  THR  34          1HG2      THR  34  -7.734   2.609   4.334
  288   2HG2  THR  34          2HG2      THR  34  -6.754   1.987   3.007
  289   3HG2  THR  34          3HG2      THR  34  -7.503   3.577   2.877
  290    H    CYS  35           HN       CYS  35  -5.185   1.247   4.617
  291    HA   CYS  35           HA       CYS  35  -3.762  -0.554   2.811
  292   1HB   CYS  35          2HB       CYS  35  -3.472  -1.989   4.577
  293   2HB   CYS  35          3HB       CYS  35  -3.574  -0.467   5.444
  294    H    SER  36           HN       SER  36  -4.791  -1.715   1.363
  295    HA   SER  36           HA       SER  36  -7.538  -2.579   1.864
  296   1HB   SER  36          2HB       SER  36  -7.922  -0.570   0.634
  297   2HB   SER  36          3HB       SER  36  -6.645  -0.954  -0.520
  298    HG   SER  36           HG       SER  36  -8.217  -1.788  -1.636
  299    H    ASP  37           HN       ASP  37  -7.899  -4.593   1.251
  300    HA   ASP  37           HA       ASP  37  -6.080  -5.852  -0.689
  301   1HB   ASP  37          2HB       ASP  37  -5.502  -6.592   1.586
  302   2HB   ASP  37          3HB       ASP  37  -7.167  -7.103   1.845
  303    H    SER  38           HN       SER  38  -7.005  -7.333  -2.102
  304    HA   SER  38           HA       SER  38  -9.823  -7.989  -1.830
  305   1HB   SER  38          2HB       SER  38  -8.813  -5.939  -3.652
  306   2HB   SER  38          3HB       SER  38  -9.738  -7.194  -4.475
  307    HG   SER  38           HG       SER  38 -10.816  -5.222  -3.395
  308    H    LYS  39           HN       LYS  39  -6.808  -8.964  -2.448
  309    HA   LYS  39           HA       LYS  39  -7.673 -11.032  -4.361
  310   1HB   LYS  39          2HB       LYS  39  -5.337  -9.325  -4.323
  311   2HB   LYS  39          3HB       LYS  39  -4.876 -11.021  -4.329
  312   1HG   LYS  39          2HG       LYS  39  -6.893  -9.952  -6.269
  313   2HG   LYS  39          3HG       LYS  39  -5.160  -9.831  -6.576
  314   1HD   LYS  39          2HD       LYS  39  -5.237 -12.403  -5.963
  315   2HD   LYS  39          3HD       LYS  39  -6.914 -12.231  -6.482
  316   1HE   LYS  39          2HE       LYS  39  -5.341 -10.895  -8.394
  317   2HE   LYS  39          3HE       LYS  39  -4.536 -12.430  -8.069
  318   1HZ   LYS  39          1HZ       LYS  39  -6.178 -12.578  -9.866
  319   2HZ   LYS  39          2HZ       LYS  39  -7.404 -12.140  -8.786
  320   3HZ   LYS  39          3HZ       LYS  39  -6.567 -13.593  -8.567
  321    H    MET  40           HN       MET  40  -4.761 -10.894  -2.364
  322    HA   MET  40           HA       MET  40  -5.749 -13.013  -0.632
  323   1HB   MET  40          2HB       MET  40  -4.276 -13.649  -2.909
  324   2HB   MET  40          3HB       MET  40  -3.089 -13.682  -1.615
  325   1HG   MET  40          2HG       MET  40  -5.686 -15.088  -1.240
  326   2HG   MET  40          3HG       MET  40  -4.443 -15.821  -2.253
  327   1HE   MET  40          1HE       MET  40  -5.677 -17.142   0.496
  328   2HE   MET  40          2HE       MET  40  -4.566 -17.909  -0.640
  329   3HE   MET  40          3HE       MET  40  -4.178 -17.865   1.081
  330    H    ASN  41           HN       ASN  41  -2.918 -13.620   0.133
  331    HA   ASN  41           HA       ASN  41  -2.635 -11.962   2.309
  332   1HB   ASN  41          2HB       ASN  41  -1.424 -14.183   1.680
  333   2HB   ASN  41          3HB       ASN  41  -0.214 -13.122   0.966
  334   1HD2  ASN  41          1HD2      ASN  41   1.437 -12.841   2.255
  335   2HD2  ASN  41          2HD2      ASN  41   1.382 -12.690   3.976
  336    H    THR  42           HN       THR  42  -1.897 -11.282  -0.981
  337    HA   THR  42           HA       THR  42  -0.208  -9.010  -0.223
  338    HB   THR  42           HB       THR  42  -0.305  -8.891  -2.940
  339    HG1  THR  42           1HG      THR  42  -0.512 -11.624  -2.157
  340   1HG2  THR  42          1HG2      THR  42   1.815  -8.763  -2.142
  341   2HG2  THR  42          2HG2      THR  42   1.853 -10.461  -2.618
  342   3HG2  THR  42          3HG2      THR  42   1.551 -10.023  -0.936
  343    H    HIS  43           HN       HIS  43  -0.733  -6.954  -0.596
  344    HA   HIS  43           HA       HIS  43  -3.169  -6.202  -1.998
  345   1HB   HIS  43          2HB       HIS  43  -3.756  -4.771   0.088
  346   2HB   HIS  43          3HB       HIS  43  -4.162  -6.484   0.123
  347    HD1  HIS  43           1HD      HIS  43  -2.201  -7.991   1.285
  348    HD2  HIS  43           2HD      HIS  43  -2.314  -3.960   2.251
  349    HE1  HIS  43           1HE      HIS  43  -0.873  -7.755   3.381
  350    HE2  HIS  43           2HE      HIS  43  -1.068  -5.341   4.027
  351    H    SER  44           HN       SER  44  -3.363  -3.603  -1.392
  352    HA   SER  44           HA       SER  44  -0.778  -2.372  -1.176
  353   1HB   SER  44          2HB       SER  44  -0.820  -1.200  -3.332
  354   2HB   SER  44          3HB       SER  44  -0.727  -2.953  -3.548
  355    HG   SER  44           HG       SER  44  -3.130  -2.790  -3.725
  356    H    CYS  45           HN       CYS  45  -1.684   0.107  -2.480
  357    HA   CYS  45           HA       CYS  45  -3.705   0.916  -0.493
  358   1HB   CYS  45          2HB       CYS  45  -1.772   2.856  -1.717
  359   2HB   CYS  45          3HB       CYS  45  -2.630   2.964  -0.183
  360    H    ASP  46           HN       ASP  46  -5.359   2.315  -1.153
  361    HA   ASP  46           HA       ASP  46  -5.638   2.586  -4.076
  362   1HB   ASP  46          2HB       ASP  46  -7.239   1.045  -2.734
  363   2HB   ASP  46          3HB       ASP  46  -7.975   2.547  -2.187
  364    H    CYS  47           HN       CYS  47  -4.258   4.560  -2.871
  365    HA   CYS  47           HA       CYS  47  -5.755   6.730  -1.870
  366   1HB   CYS  47          2HB       CYS  47  -3.406   7.386  -3.513
  367   2HB   CYS  47          3HB       CYS  47  -3.765   7.818  -1.841
  368    H    LYS  48           HN       LYS  48  -5.280   5.453  -4.987
  369    HA   LYS  48           HA       LYS  48  -7.055   7.444  -6.123
  370   1HB   LYS  48          2HB       LYS  48  -4.554   8.142  -6.358
  371   2HB   LYS  48          3HB       LYS  48  -4.504   6.899  -7.599
  372   1HG   LYS  48          2HG       LYS  48  -6.793   8.556  -8.017
  373   2HG   LYS  48          3HG       LYS  48  -5.355   9.565  -7.845
  374   1HD   LYS  48          2HD       LYS  48  -4.260   7.929  -9.498
  375   2HD   LYS  48          3HD       LYS  48  -5.907   7.400  -9.848
  376   1HE   LYS  48          2HE       LYS  48  -6.502   9.425 -10.779
  377   2HE   LYS  48          3HE       LYS  48  -5.256  10.313  -9.902
  378   1HZ   LYS  48          1HZ       LYS  48  -4.176   8.352 -11.692
  379   2HZ   LYS  48          2HZ       LYS  48  -3.801   9.994 -11.537
  380   3HZ   LYS  48          3HZ       LYS  48  -5.111   9.513 -12.494
  381    H    SER  49           HN       SER  49  -7.988   6.839  -8.043
  382    HA   SER  49           HA       SER  49  -8.490   4.059  -8.322
  383   1HB   SER  49          2HB       SER  49  -9.967   6.157  -8.924
  384   2HB   SER  49          3HB       SER  49  -9.180   6.003 -10.496
  385    HG   SER  49           HG       SER  49  -9.870   3.639 -10.145
  386    H    CYS  50           HN       CYS  50  -6.242   3.358  -8.617
  387    HA   CYS  50           HA       CYS  50  -5.152   3.845 -11.293
  388   1HB   CYS  50          2HB       CYS  50  -3.724   2.252  -9.195
  389   2HB   CYS  50          3HB       CYS  50  -3.057   3.260 -10.474
  Start of MODEL   30
    1   1H    ASN   1          1H        ASN   1   0.335  19.637  -0.755
    2   2H    ASN   1          2H        ASN   1  -0.278  18.080  -0.510
    3   3H    ASN   1          3H        ASN   1  -0.143  19.147   0.793
    4    HA   ASN   1           HA       ASN   1  -2.196  19.826   0.455
    5   1HB   ASN   1          2HB       ASN   1  -0.651  21.260  -1.244
    6   2HB   ASN   1          3HB       ASN   1  -1.795  20.562  -2.387
    7   1HD2  ASN   1          1HD2      ASN   1  -3.543  21.707  -2.740
    8   2HD2  ASN   1          2HD2      ASN   1  -4.252  22.851  -1.657
    9    H    LEU   2           HN       LEU   2  -1.452  18.662  -2.835
   10    HA   LEU   2           HA       LEU   2  -3.591  16.667  -2.541
   11   1HB   LEU   2          2HB       LEU   2  -3.731  18.968  -4.134
   12   2HB   LEU   2          3HB       LEU   2  -3.403  17.656  -5.249
   13    HG   LEU   2           HG       LEU   2  -5.469  16.843  -3.439
   14   1HD1  LEU   2          1HD1      LEU   2  -5.531  19.630  -4.060
   15   2HD1  LEU   2          2HD1      LEU   2  -6.867  18.818  -4.877
   16   3HD1  LEU   2          3HD1      LEU   2  -6.682  18.671  -3.129
   17   1HD2  LEU   2          1HD2      LEU   2  -5.855  15.754  -5.340
   18   2HD2  LEU   2          2HD2      LEU   2  -6.546  17.247  -5.973
   19   3HD2  LEU   2          3HD2      LEU   2  -4.847  16.873  -6.258
   20    H    MET   3           HN       MET   3  -3.327  15.813  -5.298
   21    HA   MET   3           HA       MET   3  -2.196  14.270  -6.522
   22   1HB   MET   3          2HB       MET   3  -0.201  16.265  -5.745
   23   2HB   MET   3          3HB       MET   3   0.497  14.690  -6.097
   24   1HG   MET   3          2HG       MET   3   0.404  15.173  -8.248
   25   2HG   MET   3          3HG       MET   3  -1.355  15.192  -8.139
   26   1HE   MET   3          1HE       MET   3  -2.730  16.869  -7.693
   27   2HE   MET   3          2HE       MET   3  -2.313  18.484  -7.121
   28   3HE   MET   3          3HE       MET   3  -2.565  18.196  -8.843
   29    H    LYS   4           HN       LYS   4  -2.900  12.525  -5.256
   30    HA   LYS   4           HA       LYS   4  -0.878  11.439  -3.407
   31   1HB   LYS   4          2HB       LYS   4  -3.168  10.067  -2.800
   32   2HB   LYS   4          3HB       LYS   4  -2.593  11.482  -1.923
   33   1HG   LYS   4          2HG       LYS   4  -4.873  11.842  -2.382
   34   2HG   LYS   4          3HG       LYS   4  -3.971  12.877  -3.493
   35   1HD   LYS   4          2HD       LYS   4  -4.244  10.500  -4.886
   36   2HD   LYS   4          3HD       LYS   4  -5.794  10.683  -4.058
   37   1HE   LYS   4          2HE       LYS   4  -4.487  12.813  -5.746
   38   2HE   LYS   4          3HE       LYS   4  -5.752  11.720  -6.310
   39   1HZ   LYS   4          1HZ       LYS   4  -6.524  12.994  -3.895
   40   2HZ   LYS   4          2HZ       LYS   4  -7.294  13.004  -5.401
   41   3HZ   LYS   4          3HZ       LYS   4  -6.097  14.148  -5.056
   42    H    ARG   5           HN       ARG   5   0.211  10.473  -5.197
   43    HA   ARG   5           HA       ARG   5  -1.015   8.739  -7.042
   44   1HB   ARG   5          2HB       ARG   5   1.367   7.892  -7.375
   45   2HB   ARG   5          3HB       ARG   5   1.071   9.600  -7.669
   46   1HG   ARG   5          2HG       ARG   5   1.973  10.128  -5.452
   47   2HG   ARG   5          3HG       ARG   5   2.294   8.414  -5.185
   48   1HD   ARG   5          2HD       ARG   5   3.400   9.795  -7.596
   49   2HD   ARG   5          3HD       ARG   5   4.197   9.971  -6.034
   50    HE   ARG   5           HE       ARG   5   3.983   7.321  -6.211
   51   1HH1  ARG   5          2HH1      ARG   5   5.039   9.679  -8.547
   52   2HH1  ARG   5          1HH1      ARG   5   6.134   8.596  -9.339
   53   1HH2  ARG   5          2HH2      ARG   5   5.421   5.885  -7.246
   54   2HH2  ARG   5          1HH2      ARG   5   6.351   6.439  -8.599
   55    H    CYS   6           HN       CYS   6  -2.112   6.999  -6.481
   56    HA   CYS   6           HA       CYS   6  -1.719   5.429  -4.182
   57   1HB   CYS   6          2HB       CYS   6  -3.158   3.755  -5.422
   58   2HB   CYS   6          3HB       CYS   6  -3.846   5.365  -5.245
   59    H    THR   7           HN       THR   7  -0.504   3.655  -3.739
   60    HA   THR   7           HA       THR   7   1.107   2.078  -3.916
   61    HB   THR   7           HB       THR   7   0.868   0.472  -5.552
   62    HG1  THR   7           1HG      THR   7  -0.049   1.146  -7.695
   63   1HG2  THR   7          1HG2      THR   7  -1.267   0.235  -4.900
   64   2HG2  THR   7          2HG2      THR   7  -1.675   0.988  -6.442
   65   3HG2  THR   7          3HG2      THR   7  -1.578   1.969  -4.980
   66    H    ARG   8           HN       ARG   8   3.222   1.853  -4.316
   67    HA   ARG   8           HA       ARG   8   4.469   3.780  -6.159
   68   1HB   ARG   8          2HB       ARG   8   5.090   2.927  -3.473
   69   2HB   ARG   8          3HB       ARG   8   6.433   2.546  -4.540
   70   1HG   ARG   8          2HG       ARG   8   6.703   4.815  -5.159
   71   2HG   ARG   8          3HG       ARG   8   5.175   5.271  -4.400
   72   1HD   ARG   8          2HD       ARG   8   6.050   5.241  -2.300
   73   2HD   ARG   8          3HD       ARG   8   7.203   3.965  -2.682
   74    HE   ARG   8           HE       ARG   8   7.592   6.716  -3.659
   75   1HH1  ARG   8          2HH1      ARG   8   8.717   3.902  -1.936
   76   2HH1  ARG   8          1HH1      ARG   8  10.322   4.515  -1.724
   77   1HH2  ARG   8          2HH2      ARG   8   9.704   7.531  -3.383
   78   2HH2  ARG   8          1HH2      ARG   8  10.884   6.576  -2.547
   79    H    GLY   9           HN       GLY   9   3.210   1.214  -6.714
   80   1HA   GLY   9          1HA       GLY   9   4.354   0.112  -8.775
   81   2HA   GLY   9          2HA       GLY   9   5.452  -0.483  -7.533
   82    H    PHE  10           HN       PHE  10   2.592  -0.168  -6.036
   83    HA   PHE  10           HA       PHE  10   1.029  -1.609  -5.244
   84   1HB   PHE  10          2HB       PHE  10   0.518  -1.441  -7.815
   85   2HB   PHE  10          3HB       PHE  10   1.080  -3.109  -7.838
   86    HD1  PHE  10           1HD      PHE  10  -0.004  -4.580  -5.860
   87    HD2  PHE  10           2HD      PHE  10  -1.728  -1.116  -7.626
   88    HE1  PHE  10           1HE      PHE  10  -2.239  -5.346  -5.168
   89    HE2  PHE  10           2HE      PHE  10  -3.967  -1.872  -6.936
   90    HZ   PHE  10           HZ       PHE  10  -4.225  -3.990  -5.706
   91    H    ARG  11           HN       ARG  11   2.535  -2.577  -3.732
   92    HA   ARG  11           HA       ARG  11   2.694  -5.382  -4.079
   93   1HB   ARG  11          2HB       ARG  11   5.051  -5.735  -4.213
   94   2HB   ARG  11          3HB       ARG  11   4.607  -4.627  -5.500
   95   1HG   ARG  11          2HG       ARG  11   5.967  -3.938  -2.902
   96   2HG   ARG  11          3HG       ARG  11   6.674  -3.915  -4.517
   97   1HD   ARG  11          2HD       ARG  11   4.470  -2.282  -4.760
   98   2HD   ARG  11          3HD       ARG  11   5.069  -1.914  -3.142
   99    HE   ARG  11           HE       ARG  11   6.304  -1.234  -5.637
  100   1HH1  ARG  11          2HH1      ARG  11   6.907  -1.934  -2.277
  101   2HH1  ARG  11          1HH1      ARG  11   8.386  -1.035  -2.221
  102   1HH2  ARG  11          2HH2      ARG  11   8.252  -0.050  -5.573
  103   2HH2  ARG  11          1HH2      ARG  11   9.150   0.036  -4.094
  104    H    LYS  12           HN       LYS  12   1.438  -4.367  -2.092
  105    HA   LYS  12           HA       LYS  12   3.247  -4.295   0.225
  106   1HB   LYS  12          2HB       LYS  12   0.289  -3.626   0.071
  107   2HB   LYS  12          3HB       LYS  12   1.279  -3.508   1.511
  108   1HG   LYS  12          2HG       LYS  12   0.835  -1.322   0.423
  109   2HG   LYS  12          3HG       LYS  12   2.550  -1.698   0.570
  110   1HD   LYS  12          2HD       LYS  12   2.814  -1.968  -1.695
  111   2HD   LYS  12          3HD       LYS  12   1.127  -2.425  -1.945
  112   1HE   LYS  12          2HE       LYS  12   0.481  -0.079  -1.441
  113   2HE   LYS  12          3HE       LYS  12   2.194   0.334  -1.364
  114   1HZ   LYS  12          1HZ       LYS  12   1.403  -1.060  -3.764
  115   2HZ   LYS  12          2HZ       LYS  12   2.378   0.310  -3.579
  116   3HZ   LYS  12          3HZ       LYS  12   0.693   0.465  -3.581
  117    H    LEU  13           HN       LEU  13   2.698  -5.769   2.074
  118    HA   LEU  13           HA       LEU  13   0.911  -7.975   1.388
  119   1HB   LEU  13          2HB       LEU  13   2.931  -9.523   2.087
  120   2HB   LEU  13          3HB       LEU  13   2.682  -9.010   0.428
  121    HG   LEU  13           HG       LEU  13   4.277  -7.022   1.648
  122   1HD1  LEU  13          1HD1      LEU  13   4.661  -8.955   3.313
  123   2HD1  LEU  13          2HD1      LEU  13   5.593  -9.688   2.007
  124   3HD1  LEU  13          3HD1      LEU  13   6.064  -8.116   2.650
  125   1HD2  LEU  13          1HD2      LEU  13   5.456  -7.278  -0.247
  126   2HD2  LEU  13          2HD2      LEU  13   5.615  -9.022  -0.034
  127   3HD2  LEU  13          3HD2      LEU  13   4.136  -8.348  -0.720
  128    H    GLY  14           HN       GLY  14   0.488  -9.478   3.086
  129   1HA   GLY  14          1HA       GLY  14   0.842 -10.194   5.380
  130   2HA   GLY  14          2HA       GLY  14   1.253  -8.535   5.775
  131    H    LYS  15           HN       LYS  15  -1.500  -9.597   3.822
  132    HA   LYS  15           HA       LYS  15  -3.680  -8.835   3.981
  133   1HB   LYS  15          2HB       LYS  15  -3.037 -10.985   5.735
  134   2HB   LYS  15          3HB       LYS  15  -4.248  -9.984   6.529
  135   1HG   LYS  15          2HG       LYS  15  -5.292 -10.167   4.038
  136   2HG   LYS  15          3HG       LYS  15  -4.473 -11.724   4.178
  137   1HD   LYS  15          2HD       LYS  15  -5.992 -12.500   5.623
  138   2HD   LYS  15          3HD       LYS  15  -5.941 -11.023   6.587
  139   1HE   LYS  15          2HE       LYS  15  -7.434 -11.268   3.981
  140   2HE   LYS  15          3HE       LYS  15  -8.169 -11.557   5.557
  141   1HZ   LYS  15          1HZ       LYS  15  -7.345  -9.048   4.324
  142   2HZ   LYS  15          2HZ       LYS  15  -7.113  -9.183   5.993
  143   3HZ   LYS  15          3HZ       LYS  15  -8.659  -9.377   5.337
  144    H    CYS  16           HN       CYS  16  -3.290  -6.577   4.235
  145    HA   CYS  16           HA       CYS  16  -3.476  -4.544   5.221
  146   1HB   CYS  16          2HB       CYS  16  -5.713  -5.784   5.894
  147   2HB   CYS  16          3HB       CYS  16  -5.018  -5.687   7.510
  148    H    THR  17           HN       THR  17  -1.125  -5.538   5.683
  149    HA   THR  17           HA       THR  17  -0.500  -5.713   8.496
  150    HB   THR  17           HB       THR  17   0.913  -6.150   5.942
  151    HG1  THR  17           1HG      THR  17   1.809  -7.477   8.147
  152   1HG2  THR  17          1HG2      THR  17   3.157  -5.963   6.944
  153   2HG2  THR  17          2HG2      THR  17   2.445  -5.258   8.395
  154   3HG2  THR  17          3HG2      THR  17   2.350  -4.396   6.859
  155    H    THR  18           HN       THR  18   0.866  -4.253   9.625
  156    HA   THR  18           HA       THR  18   0.275  -1.569   9.384
  157    HB   THR  18           HB       THR  18   2.560  -2.994  10.718
  158    HG1  THR  18           1HG      THR  18   0.935  -1.332  12.173
  159   1HG2  THR  18          1HG2      THR  18   2.807  -0.390   9.804
  160   2HG2  THR  18          2HG2      THR  18   3.744  -1.132  11.101
  161   3HG2  THR  18          3HG2      THR  18   2.296  -0.198  11.481
  162    H    LEU  19           HN       LEU  19   3.348  -3.130   8.442
  163    HA   LEU  19           HA       LEU  19   4.633  -0.999   7.312
  164   1HB   LEU  19          2HB       LEU  19   4.966  -3.782   7.329
  165   2HB   LEU  19          3HB       LEU  19   4.992  -3.322   5.636
  166    HG   LEU  19           HG       LEU  19   7.246  -3.390   6.600
  167   1HD1  LEU  19          1HD1      LEU  19   6.983  -0.501   6.236
  168   2HD1  LEU  19          2HD1      LEU  19   7.918  -1.682   5.320
  169   3HD1  LEU  19          3HD1      LEU  19   6.203  -1.458   4.977
  170   1HD2  LEU  19          1HD2      LEU  19   7.318  -1.049   8.144
  171   2HD2  LEU  19          2HD2      LEU  19   5.949  -1.990   8.738
  172   3HD2  LEU  19          3HD2      LEU  19   7.559  -2.710   8.688
  173    H    GLU  20           HN       GLU  20   1.887  -2.700   6.057
  174    HA   GLU  20           HA       GLU  20   2.189  -1.617   3.403
  175   1HB   GLU  20          2HB       GLU  20  -0.326  -2.860   4.487
  176   2HB   GLU  20          3HB       GLU  20   0.232  -2.801   2.821
  177   1HG   GLU  20          2HG       GLU  20   0.998  -4.624   5.020
  178   2HG   GLU  20          3HG       GLU  20   0.710  -4.964   3.317
  179    H    GLU  21           HN       GLU  21  -0.096  -1.110   6.102
  180    HA   GLU  21           HA       GLU  21  -1.509   1.017   4.915
  181   1HB   GLU  21          2HB       GLU  21  -2.395   1.460   7.050
  182   2HB   GLU  21          3HB       GLU  21  -2.050  -0.263   7.087
  183   1HG   GLU  21          2HG       GLU  21   0.206   0.486   8.129
  184   2HG   GLU  21          3HG       GLU  21  -0.659   1.979   8.472
  185    H    GLU  22           HN       GLU  22   1.587   0.723   6.381
  186    HA   GLU  22           HA       GLU  22   2.121   3.479   6.829
  187   1HB   GLU  22          2HB       GLU  22   3.599   0.921   6.944
  188   2HB   GLU  22          3HB       GLU  22   4.573   2.339   6.589
  189   1HG   GLU  22          2HG       GLU  22   2.714   2.721   8.803
  190   2HG   GLU  22          3HG       GLU  22   3.902   1.448   9.078
  191    H    LYS  23           HN       LYS  23   3.182   1.133   4.345
  192    HA   LYS  23           HA       LYS  23   4.635   2.710   2.667
  193   1HB   LYS  23          2HB       LYS  23   4.136   0.300   2.306
  194   2HB   LYS  23          3HB       LYS  23   2.516   0.740   1.781
  195   1HG   LYS  23          2HG       LYS  23   3.219   1.451  -0.247
  196   2HG   LYS  23          3HG       LYS  23   4.758   2.053   0.371
  197   1HD   LYS  23          2HD       LYS  23   5.706  -0.108   0.372
  198   2HD   LYS  23          3HD       LYS  23   4.131  -0.874   0.185
  199   1HE   LYS  23          2HE       LYS  23   5.136  -1.027  -1.925
  200   2HE   LYS  23          3HE       LYS  23   3.986   0.303  -2.056
  201   1HZ   LYS  23          1HZ       LYS  23   6.265   0.690  -3.022
  202   2HZ   LYS  23          2HZ       LYS  23   6.847   0.745  -1.435
  203   3HZ   LYS  23          3HZ       LYS  23   5.704   1.878  -1.955
  204    H    CYS  24           HN       CYS  24   1.189   2.656   3.144
  205    HA   CYS  24           HA       CYS  24   0.454   4.308   0.969
  206   1HB   CYS  24          2HB       CYS  24  -1.086   4.115   3.539
  207   2HB   CYS  24          3HB       CYS  24  -1.698   4.310   1.897
  208    H    LYS  25           HN       LYS  25   0.778   5.071   4.452
  209    HA   LYS  25           HA       LYS  25   0.414   7.876   3.977
  210   1HB   LYS  25          2HB       LYS  25   0.820   6.130   6.305
  211   2HB   LYS  25          3HB       LYS  25   1.478   7.752   6.483
  212   1HG   LYS  25          2HG       LYS  25  -0.699   7.862   7.341
  213   2HG   LYS  25          3HG       LYS  25  -0.794   8.598   5.741
  214   1HD   LYS  25          2HD       LYS  25  -1.334   5.680   6.021
  215   2HD   LYS  25          3HD       LYS  25  -2.576   6.828   6.523
  216   1HE   LYS  25          2HE       LYS  25  -1.263   7.095   3.844
  217   2HE   LYS  25          3HE       LYS  25  -2.565   5.930   4.083
  218   1HZ   LYS  25          1HZ       LYS  25  -2.954   8.706   4.964
  219   2HZ   LYS  25          2HZ       LYS  25  -4.099   7.576   4.441
  220   3HZ   LYS  25          3HZ       LYS  25  -3.091   8.341   3.317
  221    H    THR  26           HN       THR  26   3.233   6.018   5.119
  222    HA   THR  26           HA       THR  26   5.051   8.106   5.154
  223    HB   THR  26           HB       THR  26   6.813   6.309   4.845
  224    HG1  THR  26           1HG      THR  26   4.912   4.346   5.277
  225   1HG2  THR  26          1HG2      THR  26   5.746   7.080   7.042
  226   2HG2  THR  26          2HG2      THR  26   6.568   5.519   7.044
  227   3HG2  THR  26          3HG2      THR  26   4.808   5.588   6.965
  228    H    LEU  27           HN       LEU  27   4.424   5.809   2.451
  229    HA   LEU  27           HA       LEU  27   6.290   7.266   0.792
  230   1HB   LEU  27          2HB       LEU  27   4.461   5.191  -0.300
  231   2HB   LEU  27          3HB       LEU  27   6.078   5.613  -0.804
  232    HG   LEU  27           HG       LEU  27   5.167   3.721   1.285
  233   1HD1  LEU  27          1HD1      LEU  27   5.962   2.882  -0.815
  234   2HD1  LEU  27          2HD1      LEU  27   7.440   3.834  -0.682
  235   3HD1  LEU  27          3HD1      LEU  27   7.149   2.498   0.431
  236   1HD2  LEU  27          1HD2      LEU  27   7.223   5.698   1.767
  237   2HD2  LEU  27          2HD2      LEU  27   6.465   4.549   2.871
  238   3HD2  LEU  27          3HD2      LEU  27   7.825   4.043   1.873
  239    H    TYR  28           HN       TYR  28   2.770   6.793   0.940
  240    HA   TYR  28           HA       TYR  28   2.495   8.747  -1.249
  241   1HB   TYR  28          2HB       TYR  28   0.204   7.091  -0.273
  242   2HB   TYR  28          3HB       TYR  28   0.536   7.691  -1.891
  243    HD1  TYR  28           1HD      TYR  28   3.455   6.618  -1.966
  244    HD2  TYR  28           2HD      TYR  28  -0.258   4.851  -0.898
  245    HE1  TYR  28           1HE      TYR  28   4.351   4.410  -2.548
  246    HE2  TYR  28           2HE      TYR  28   0.625   2.633  -1.487
  247    HH   TYR  28           HH       TYR  28   3.994   2.195  -2.447
  248    HA   PRO  29           HA       PRO  29   0.654  11.767   1.371
  249   1HB   PRO  29          2HB       PRO  29  -1.349  12.347  -0.700
  250   2HB   PRO  29          3HB       PRO  29  -0.058  13.373  -0.068
  251   1HG   PRO  29          2HG       PRO  29   0.056  12.338  -2.540
  252   2HG   PRO  29          3HG       PRO  29   1.511  12.536  -1.545
  253   1HD   PRO  29          2HD       PRO  29  -0.107  10.063  -2.062
  254   2HD   PRO  29          3HD       PRO  29   1.659  10.267  -2.031
  255    H    ARG  30           HN       ARG  30  -2.209  10.778  -0.513
  256    HA   ARG  30           HA       ARG  30  -3.442   9.220   1.487
  257   1HB   ARG  30          2HB       ARG  30  -5.104  10.858   2.289
  258   2HB   ARG  30          3HB       ARG  30  -3.458  11.253   2.775
  259   1HG   ARG  30          2HG       ARG  30  -3.473  13.188   1.666
  260   2HG   ARG  30          3HG       ARG  30  -4.160  12.437   0.215
  261   1HD   ARG  30          2HD       ARG  30  -6.228  13.131   0.724
  262   2HD   ARG  30          3HD       ARG  30  -6.071  12.648   2.412
  263    HE   ARG  30           HE       ARG  30  -5.452  14.799   2.949
  264   1HH1  ARG  30          2HH1      ARG  30  -5.462  14.405  -0.512
  265   2HH1  ARG  30          1HH1      ARG  30  -5.308  16.099  -0.835
  266   1HH2  ARG  30          2HH2      ARG  30  -5.247  17.033   2.533
  267   2HH2  ARG  30          1HH2      ARG  30  -5.182  17.593   0.896
  268    H    GLY  31           HN       GLY  31  -6.027  10.855   0.924
  269   1HA   GLY  31          1HA       GLY  31  -7.747  10.864  -0.608
  270   2HA   GLY  31          2HA       GLY  31  -6.555  10.556  -1.864
  271    H    GLN  32           HN       GLN  32  -8.169   8.910   0.852
  272    HA   GLN  32           HA       GLN  32  -8.973   6.788   1.058
  273   1HB   GLN  32          2HB       GLN  32  -9.030   7.103  -1.940
  274   2HB   GLN  32          3HB       GLN  32  -9.434   5.564  -1.191
  275   1HG   GLN  32          2HG       GLN  32 -10.935   7.413   0.220
  276   2HG   GLN  32          3HG       GLN  32 -11.016   7.967  -1.452
  277   1HE2  GLN  32          1HE2      GLN  32 -12.912   6.573   0.490
  278   2HE2  GLN  32          2HE2      GLN  32 -13.568   5.275  -0.442
  279    H    CYS  33           HN       CYS  33  -6.159   7.473   0.963
  280    HA   CYS  33           HA       CYS  33  -4.896   5.090  -0.170
  281   1HB   CYS  33          2HB       CYS  33  -3.935   7.412  -0.524
  282   2HB   CYS  33          3HB       CYS  33  -3.546   7.426   1.188
  283    H    THR  34           HN       THR  34  -4.676   3.393   1.078
  284    HA   THR  34           HA       THR  34  -3.468   3.404   3.597
  285    HB   THR  34           HB       THR  34  -5.598   4.441   4.307
  286    HG1  THR  34           1HG      THR  34  -6.076   2.698   5.926
  287   1HG2  THR  34          1HG2      THR  34  -7.427   3.737   3.204
  288   2HG2  THR  34          2HG2      THR  34  -7.454   2.432   4.390
  289   3HG2  THR  34          3HG2      THR  34  -6.715   2.173   2.810
  290    H    CYS  35           HN       CYS  35  -5.373   1.043   4.396
  291    HA   CYS  35           HA       CYS  35  -3.949  -0.857   2.692
  292   1HB   CYS  35          2HB       CYS  35  -3.645  -1.885   4.662
  293   2HB   CYS  35          3HB       CYS  35  -4.825  -0.849   5.456
  294    H    SER  36           HN       SER  36  -4.881  -1.845   1.093
  295    HA   SER  36           HA       SER  36  -7.755  -2.405   1.162
  296   1HB   SER  36          2HB       SER  36  -7.778  -0.480  -0.194
  297   2HB   SER  36          3HB       SER  36  -6.262  -0.910  -0.986
  298    HG   SER  36           HG       SER  36  -7.298  -2.300  -2.260
  299    H    ASP  37           HN       ASP  37  -8.029  -4.502   0.877
  300    HA   ASP  37           HA       ASP  37  -6.214  -5.950  -0.930
  301   1HB   ASP  37          2HB       ASP  37  -5.883  -6.279   1.644
  302   2HB   ASP  37          3HB       ASP  37  -7.331  -7.274   1.520
  303    H    SER  38           HN       SER  38  -7.141  -7.419  -2.270
  304    HA   SER  38           HA       SER  38  -9.883  -8.270  -1.850
  305   1HB   SER  38          2HB       SER  38  -9.184  -6.134  -3.673
  306   2HB   SER  38          3HB       SER  38  -9.891  -7.494  -4.545
  307    HG   SER  38           HG       SER  38 -11.641  -7.403  -3.029
  308    H    LYS  39           HN       LYS  39  -6.810  -8.942  -2.669
  309    HA   LYS  39           HA       LYS  39  -7.534 -11.096  -4.539
  310   1HB   LYS  39          2HB       LYS  39  -4.820  -9.890  -3.971
  311   2HB   LYS  39          3HB       LYS  39  -5.148 -11.163  -5.137
  312   1HG   LYS  39          2HG       LYS  39  -6.826  -8.844  -5.572
  313   2HG   LYS  39          3HG       LYS  39  -5.107  -8.445  -5.624
  314   1HD   LYS  39          2HD       LYS  39  -5.094 -10.696  -7.088
  315   2HD   LYS  39          3HD       LYS  39  -6.726 -10.126  -7.439
  316   1HE   LYS  39          2HE       LYS  39  -4.358  -8.298  -7.639
  317   2HE   LYS  39          3HE       LYS  39  -4.806  -9.362  -8.972
  318   1HZ   LYS  39          1HZ       LYS  39  -6.926  -8.315  -9.125
  319   2HZ   LYS  39          2HZ       LYS  39  -5.756  -7.093  -9.119
  320   3HZ   LYS  39          3HZ       LYS  39  -6.657  -7.408  -7.723
  321    H    MET  40           HN       MET  40  -4.669 -10.894  -2.493
  322    HA   MET  40           HA       MET  40  -5.639 -13.083  -0.823
  323   1HB   MET  40          2HB       MET  40  -4.114 -13.664  -3.013
  324   2HB   MET  40          3HB       MET  40  -2.880 -13.476  -1.775
  325   1HG   MET  40          2HG       MET  40  -3.978 -15.148  -0.398
  326   2HG   MET  40          3HG       MET  40  -5.259 -15.312  -1.597
  327   1HE   MET  40          1HE       MET  40  -3.788 -17.349  -4.404
  328   2HE   MET  40          2HE       MET  40  -5.223 -16.746  -3.574
  329   3HE   MET  40          3HE       MET  40  -4.138 -15.620  -4.392
  330    H    ASN  41           HN       ASN  41  -2.761 -13.507   0.014
  331    HA   ASN  41           HA       ASN  41  -2.742 -11.854   2.254
  332   1HB   ASN  41          2HB       ASN  41  -1.443 -14.055   1.754
  333   2HB   ASN  41          3HB       ASN  41  -0.198 -12.978   1.129
  334   1HD2  ASN  41          1HD2      ASN  41  -2.397 -12.824   3.908
  335   2HD2  ASN  41          2HD2      ASN  41  -1.162 -12.580   5.090
  336    H    THR  42           HN       THR  42  -1.898 -11.095  -0.960
  337    HA   THR  42           HA       THR  42  -0.202  -8.861  -0.106
  338    HB   THR  42           HB       THR  42  -0.267  -8.626  -2.813
  339    HG1  THR  42           1HG      THR  42  -0.054 -11.417  -2.444
  340   1HG2  THR  42          1HG2      THR  42   1.794 -10.461  -2.301
  341   2HG2  THR  42          2HG2      THR  42   1.562  -9.563  -0.802
  342   3HG2  THR  42          3HG2      THR  42   1.899  -8.700  -2.304
  343    H    HIS  43           HN       HIS  43  -0.703  -6.782  -0.443
  344    HA   HIS  43           HA       HIS  43  -3.144  -5.994  -1.817
  345   1HB   HIS  43          2HB       HIS  43  -3.675  -4.582   0.324
  346   2HB   HIS  43          3HB       HIS  43  -4.156  -6.274   0.282
  347    HD1  HIS  43           1HD      HIS  43  -2.177  -7.900   1.334
  348    HD2  HIS  43           2HD      HIS  43  -2.313  -3.946   2.586
  349    HE1  HIS  43           1HE      HIS  43  -0.887  -7.815   3.467
  350    HE2  HIS  43           2HE      HIS  43  -1.030  -5.435   4.248
  351    H    SER  44           HN       SER  44  -3.309  -3.405  -1.273
  352    HA   SER  44           HA       SER  44  -0.712  -2.198  -1.001
  353   1HB   SER  44          2HB       SER  44  -0.566  -1.117  -3.129
  354   2HB   SER  44          3HB       SER  44  -0.779  -2.847  -3.426
  355    HG   SER  44           HG       SER  44  -3.051  -2.370  -3.716
  356    H    CYS  45           HN       CYS  45  -1.575   0.287  -2.316
  357    HA   CYS  45           HA       CYS  45  -3.712   1.073  -0.443
  358   1HB   CYS  45          2HB       CYS  45  -1.569   2.999  -1.282
  359   2HB   CYS  45          3HB       CYS  45  -2.592   3.027   0.152
  360    H    ASP  46           HN       ASP  46  -5.385   2.190  -1.293
  361    HA   ASP  46           HA       ASP  46  -5.282   2.795  -4.161
  362   1HB   ASP  46          2HB       ASP  46  -7.093   1.307  -3.131
  363   2HB   ASP  46          3HB       ASP  46  -7.750   2.784  -2.432
  364    H    CYS  47           HN       CYS  47  -3.880   4.644  -3.016
  365    HA   CYS  47           HA       CYS  47  -5.164   6.851  -1.849
  366   1HB   CYS  47          2HB       CYS  47  -2.863   7.325  -3.649
  367   2HB   CYS  47          3HB       CYS  47  -3.136   7.889  -2.000
  368    H    LYS  48           HN       LYS  48  -5.161   5.681  -5.018
  369    HA   LYS  48           HA       LYS  48  -6.716   7.971  -5.898
  370   1HB   LYS  48          2HB       LYS  48  -3.988   7.611  -6.640
  371   2HB   LYS  48          3HB       LYS  48  -4.980   7.298  -8.058
  372   1HG   LYS  48          2HG       LYS  48  -6.086   9.591  -6.996
  373   2HG   LYS  48          3HG       LYS  48  -4.352   9.806  -6.743
  374   1HD   LYS  48          2HD       LYS  48  -3.911   9.459  -9.080
  375   2HD   LYS  48          3HD       LYS  48  -5.596   9.028  -9.379
  376   1HE   LYS  48          2HE       LYS  48  -6.281  11.294  -8.746
  377   2HE   LYS  48          3HE       LYS  48  -4.593  11.721  -8.459
  378   1HZ   LYS  48          1HZ       LYS  48  -4.489  10.773 -10.959
  379   2HZ   LYS  48          2HZ       LYS  48  -4.681  12.408 -10.575
  380   3HZ   LYS  48          3HZ       LYS  48  -6.033  11.466 -10.955
  381    H    SER  49           HN       SER  49  -7.822   7.592  -7.863
  382    HA   SER  49           HA       SER  49  -8.967   4.987  -7.975
  383   1HB   SER  49          2HB       SER  49  -9.797   7.498  -8.706
  384   2HB   SER  49          3HB       SER  49  -9.494   6.744 -10.272
  385    HG   SER  49           HG       SER  49 -11.301   5.984  -8.249
  386    H    CYS  50           HN       CYS  50  -6.910   3.845  -8.384
  387    HA   CYS  50           HA       CYS  50  -6.110   3.918 -11.212
  388   1HB   CYS  50          2HB       CYS  50  -4.165   2.440 -10.161
  389   2HB   CYS  50          3HB       CYS  50  -4.113   4.199 -10.119