*HEADER    UNKNOWN FUNCTION                        07-APR-14   2MNI              
*TITLE     CHEMICAL SHIFT ASSIGNMENTS AND STRUCTURE OF Q4D059, A HYPOTHETICAL    
*TITLE    2 PROTEIN FROM TRYPANOSOMA CRUZI                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HP_Q4D059;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI;                              
*SOURCE   3 ORGANISM_TAXID: 5693;                                                
*SOURCE   4 GENE: TC00.1047053510347.29;                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-4T2                                  
*KEYWDS    TRYPANOSOMATIDS, NEGLECTED DISEASES, UNKNOWN FUNCTION                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.LOPEZ, J.PIRES                                                      
*REVDAT   1   18-MAR-15 2MNI    0                                                


 ASSI {    1}
    (( segid "    " and resid 89   and name HA  ))
    (( segid "    " and resid 88   and name HN  ))
       4.700     2.800     1.300 peak     1 spectrum    1 weight  0.10000E+01 volume  0.42850E-04 ppm1      5.719 ppm2      8.607 CV     1
  ASSI {    4}
    (( segid "    " and resid 89   and name HA  ))
    (( segid "    " and resid 89   and name HN  ))
       3.000     1.100     1.100 peak     4 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      5.669 ppm2      7.853 CV     1
  ASSI {    5}
    (( segid "    " and resid 89   and name HA  ))
    (  segid "    " and resid 89   and name HD% )
       2.700     0.900     0.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.21876E-02 ppm1      5.672 ppm2      7.024 CV     1
  ASSI {    6}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 35   and name HE21))
       3.700     1.700     1.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.54917E-03 ppm1      5.593 ppm2      7.830 CV     1
  ASSI {    7}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HZ  ))
       4.800     2.900     1.200 peak     7 spectrum    1 weight  0.10000E+01 volume  0.22327E-03 ppm1      5.587 ppm2      7.211 CV     1
  ASSI {    8}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 90   and name HN  ))
       3.100     3.100     2.900 peak     8 spectrum    1 weight  0.10000E+01 volume  0.18944E-02 ppm1      5.579 ppm2      8.717 CV     1
  ASSI {   10}
    (( segid "    " and resid 16   and name HA  ))
    (  segid "    " and resid 16   and name HD% )
       2.500     2.500     3.500 peak    10 spectrum    1 weight  0.10000E+01 volume  0.39242E-02 ppm1      5.584 ppm2      7.002 CV     1
  ASSI {   11}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       3.900     1.900     1.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.40482E-03 ppm1      5.574 ppm2      8.919 CV     1
  ASSI {   13}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 73   and name HN  ))
       2.300     0.700     0.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.54352E-02 ppm1      5.403 ppm2      9.177 CV     1
  ASSI {   14}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 72   and name HN  ))
       2.800     1.000     1.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.19621E-02 ppm1      5.406 ppm2      8.681 CV     1
  ASSI {   15}
    (( segid "    " and resid 72   and name HA  ))
    (  segid "    " and resid 72   and name HD% )
       3.300     1.400     1.400 peak    15 spectrum    1 weight  0.10000E+01 volume  0.11953E-02 ppm1      5.402 ppm2      6.872 CV     1
  ASSI {   20}
    (( segid "    " and resid 85   and name HA  ))
    (  segid "    " and resid 85   and name HD% )
       3.100     1.200     1.200 peak    20 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      5.268 ppm2      7.179 CV     1
  ASSI {   22}
    (( segid "    " and resid 15   and name HA  ))
    (  segid "    " and resid 16   and name HD% )
       3.400     1.400     1.400 peak    22 spectrum    1 weight  0.10000E+01 volume  0.15449E-02 ppm1      5.254 ppm2      7.019 CV     1
  ASSI {   24}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 15   and name HD2 ))
       3.800     1.800     1.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.46459E-03 ppm1      5.251 ppm2      7.085 CV     1
  ASSI {   25}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
       2.200     0.600     0.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.75211E-02 ppm1      5.245 ppm2      8.739 CV     1
  ASSI {   26}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
       3.200     1.300     1.300 peak    26 spectrum    1 weight  0.10000E+01 volume  0.99459E-03 ppm1      5.113 ppm2      8.376 CV     1
  ASSI {   27}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 48   and name HN  ))
       3.200     3.200     2.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.18380E-02 ppm1      5.115 ppm2      8.052 CV     1
  ASSI {   28}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       3.600     1.600     1.600 peak    28 spectrum    1 weight  0.10000E+01 volume  0.78033E-03 ppm1      5.114 ppm2      7.513 CV     1
  ASSI {   29}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 86   and name HN  ))
       3.600     1.600     1.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.48263E-03 ppm1      5.080 ppm2      9.326 CV     1
  ASSI {   33}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 47   and name HN  ))
       3.100     3.100     2.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.28304E-02 ppm1      5.010 ppm2      8.512 CV     1
  ASSI {   35}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 74   and name HN  ))
       2.300     0.700     0.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.66981E-02 ppm1      4.997 ppm2      9.180 CV     1
  ASSI {   39}
    (( segid "    " and resid 70   and name HA  ))
    (( segid "    " and resid 89   and name HN  ))
       3.000     1.100     1.100 peak    39 spectrum    1 weight  0.10000E+01 volume  0.19395E-02 ppm1      4.948 ppm2      7.855 CV     1
  ASSI {   44}
    (( segid "    " and resid 70   and name HA  ))
    (  segid "    " and resid 89   and name HD% )
       2.500     2.500     3.500 peak    44 spectrum    1 weight  0.10000E+01 volume  0.46572E-02 ppm1      4.940 ppm2      7.025 CV     1
  ASSI {   46}
    (( segid "    " and resid 86   and name HA  ))
    (( segid "    " and resid 87   and name HN  ))
       2.300     0.600     0.600 peak    46 spectrum    1 weight  0.10000E+01 volume  0.71831E-02 ppm1      4.736 ppm2      8.704 CV     1
  ASSI {   48}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 19   and name HN  ))
       4.000     2.000     2.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.51420E-03 ppm1      4.731 ppm2      8.941 CV     1
  ASSI {   49}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HN  ))
       3.400     1.500     1.500 peak    49 spectrum    1 weight  0.10000E+01 volume  0.73521E-03 ppm1      4.704 ppm2      7.574 CV     1
  ASSI {   50}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       3.500     1.500     1.500 peak    50 spectrum    1 weight  0.10000E+01 volume  0.78935E-03 ppm1      4.701 ppm2      7.804 CV     1
  ASSI {   51}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 44   and name HN  ))
       3.100     1.200     1.200 peak    51 spectrum    1 weight  0.10000E+01 volume  0.14547E-02 ppm1      4.639 ppm2      8.494 CV     1
  ASSI {   52}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       3.000     1.100     1.100 peak    52 spectrum    1 weight  0.10000E+01 volume  0.14772E-02 ppm1      4.638 ppm2      7.510 CV     1
  ASSI {   53}
    (( segid "    " and resid 66   and name HA  ))
    (( segid "    " and resid 67   and name HN  ))
       3.600     1.700     1.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.34619E-03 ppm1      4.596 ppm2      7.589 CV     1
  ASSI {   57}
    (( segid "    " and resid 82   and name HA  ))
    (( segid "    " and resid 82   and name HN  ))
       2.500     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.51307E-02 ppm1      4.533 ppm2      8.493 CV     1
  ASSI {   58}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 45   and name HN  ))
       3.100     1.200     1.200 peak    58 spectrum    1 weight  0.10000E+01 volume  0.20636E-02 ppm1      4.528 ppm2      8.375 CV     1
  ASSI {   60}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
       3.300     3.300     2.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.12855E-02 ppm1      4.523 ppm2      8.665 CV     1
  ASSI {   61}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       2.700     0.900     0.900 peak    61 spectrum    1 weight  0.10000E+01 volume  0.29206E-02 ppm1      4.523 ppm2      8.300 CV     1
  ASSI {   62}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       3.400     1.500     1.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.94833E-03 ppm1      4.524 ppm2      8.034 CV     1
  ASSI {   63}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       4.200     2.200     1.800 peak    63 spectrum    1 weight  0.10000E+01 volume  0.22214E-03 ppm1      4.524 ppm2      7.807 CV     1
  ASSI {   64}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HD21))
       4.800     2.800     1.200 peak    64 spectrum    1 weight  0.10000E+01 volume  0.25034E-03 ppm1      4.521 ppm2      7.576 CV     1
  ASSI {   65}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       2.400     0.700     0.700 peak    65 spectrum    1 weight  0.10000E+01 volume  0.55256E-02 ppm1      4.451 ppm2      9.053 CV     1
  ASSI {   68}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 71   and name HN  ))
       2.800     1.000     1.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.20298E-02 ppm1      4.445 ppm2      8.923 CV     1
  ASSI {   71}
    (( segid "    " and resid 71   and name HA  ))
    (  segid "    " and resid 72   and name HD% )
       3.500     1.500     1.500 peak    71 spectrum    1 weight  0.10000E+01 volume  0.80964E-03 ppm1      4.444 ppm2      6.876 CV     1
  ASSI {   73}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 16   and name HE% )
       6.000     5.100     0.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.44993E-04 ppm1      4.407 ppm2      7.108 CV     1
  ASSI {   76}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 81   and name HN  ))
       3.000     1.100     1.100 peak    76 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      4.401 ppm2      7.687 CV     1
  ASSI {   77}
    (( segid "    " and resid 76   and name HA  ))
    (( segid "    " and resid 76   and name HN  ))
       3.100     1.200     1.200 peak    77 spectrum    1 weight  0.10000E+01 volume  0.13532E-02 ppm1      4.388 ppm2     10.045 CV     1
  ASSI {   78}
    (( segid "    " and resid 76   and name HA  ))
    (( segid "    " and resid 77   and name HN  ))
       3.500     1.500     1.500 peak    78 spectrum    1 weight  0.10000E+01 volume  0.91453E-03 ppm1      4.391 ppm2      9.685 CV     1
  ASSI {   81}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 13   and name HN  ))
       3.400     1.500     1.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.12404E-02 ppm1      4.369 ppm2      8.816 CV     1
  ASSI {   82}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       3.300     1.400     1.400 peak    82 spectrum    1 weight  0.10000E+01 volume  0.86263E-03 ppm1      4.368 ppm2      8.577 CV     1
  ASSI {   86}
    (( segid "    " and resid 91   and name HA  ))
    (( segid "    " and resid 18   and name HN  ))
       3.900     1.900     1.900 peak    86 spectrum    1 weight  0.10000E+01 volume  0.42061E-03 ppm1      4.356 ppm2      9.175 CV     1
  ASSI {   87}
    (( segid "    " and resid 91   and name HA  ))
    (( segid "    " and resid 91   and name HN  ))
       3.000     1.100     1.100 peak    87 spectrum    1 weight  0.10000E+01 volume  0.16351E-02 ppm1      4.352 ppm2      9.002 CV     1
  ASSI {   88}
    (( segid "    " and resid 91   and name HA  ))
    (( segid "    " and resid 92   and name HN  ))
       2.100     0.600     0.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.10904E-01 ppm1      4.357 ppm2      8.073 CV     1
  ASSI {   90}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 45   and name HN  ))
       3.600     1.600     1.600 peak    90 spectrum    1 weight  0.10000E+01 volume  0.55928E-03 ppm1      4.332 ppm2      8.385 CV     1
  ASSI {   91}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       3.700     1.700     1.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.59877E-03 ppm1      4.334 ppm2      7.807 CV     1
  ASSI {   92}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
       2.900     1.100     1.100 peak    92 spectrum    1 weight  0.10000E+01 volume  0.24695E-02 ppm1      4.337 ppm2      7.093 CV     1
  ASSI {   95}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       3.100     1.200     1.200 peak    95 spectrum    1 weight  0.10000E+01 volume  0.20636E-02 ppm1      4.330 ppm2      7.064 CV     1
  ASSI {  100}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 53   and name HN  ))
       3.100     1.200     1.200 peak   100 spectrum    1 weight  0.10000E+01 volume  0.12968E-02 ppm1      4.287 ppm2      8.583 CV     1
  ASSI {  102}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 53   and name HE3 ))
       4.500     2.600     1.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.30559E-03 ppm1      4.289 ppm2      7.136 CV     1
  ASSI {  103}
    (( segid "    " and resid 75   and name HD1 ))
    (  segid "    " and resid 85   and name HD% )
       2.500     2.500     3.500 peak   103 spectrum    1 weight  0.10000E+01 volume  0.25936E-02 ppm1      4.264 ppm2      7.179 CV     1
  ASSI {  105}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 25   and name HN  ))
       4.300     2.300     1.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.32589E-03 ppm1      4.244 ppm2      8.398 CV     1
  ASSI {  112}
    (( segid "    " and resid 87   and name HA  ))
    (( segid "    " and resid 88   and name HN  ))
       2.200     0.600     0.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.81981E-02 ppm1      4.213 ppm2      8.578 CV     1
  ASSI {  113}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 70   and name HN  ))
       4.600     2.700     1.400 peak   113 spectrum    1 weight  0.10000E+01 volume  0.73746E-03 ppm1      4.201 ppm2      7.585 CV     1
  ASSI {  114}
    (( segid "    " and resid 77   and name HA  ))
    (( segid "    " and resid 79   and name HN  ))
       2.900     1.100     1.100 peak   114 spectrum    1 weight  0.10000E+01 volume  0.23793E-02 ppm1      4.172 ppm2      8.716 CV     1
  ASSI {  115}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 69   and name HN  ))
       2.300     0.700     0.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.67659E-02 ppm1      4.159 ppm2      8.990 CV     1
  ASSI {  118}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 10   and name HN  ))
       2.900     1.100     1.100 peak   118 spectrum    1 weight  0.10000E+01 volume  0.17591E-02 ppm1      4.152 ppm2      8.071 CV     1
  ASSI {  119}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 59   and name HE1 ))
       3.800     1.800     1.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.36648E-03 ppm1      4.153 ppm2      7.994 CV     1
  ASSI {  120}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 34   and name HD21))
       3.500     1.500     1.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.82769E-03 ppm1      4.155 ppm2      7.579 CV     1
  ASSI {  121}
    (( segid "    " and resid 42   and name HB  ))
    (( segid "    " and resid 42   and name HN  ))
       3.700     1.700     1.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.82654E-03 ppm1      4.151 ppm2      7.524 CV     1
  ASSI {  123}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 11   and name HN  ))
       2.200     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.93591E-02 ppm1      4.145 ppm2      8.258 CV     1
  ASSI {  124}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 44   and name HN  ))
       2.800     0.900     0.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.24582E-02 ppm1      4.124 ppm2      8.493 CV     1
  ASSI {  125}
    (( segid "    " and resid 77   and name HA  ))
    (( segid "    " and resid 77   and name HN  ))
       3.000     1.100     1.100 peak   125 spectrum    1 weight  0.10000E+01 volume  0.16576E-02 ppm1      4.112 ppm2      9.686 CV     1
  ASSI {  126}
    (( segid "    " and resid 25   and name HA1 ))
    (( segid "    " and resid 25   and name HN  ))
       2.600     0.800     0.800 peak   126 spectrum    1 weight  0.10000E+01 volume  0.38678E-02 ppm1      4.114 ppm2      8.388 CV     1
  ASSI {  128}
    (( segid "    " and resid 17   and name HD1 ))
    (  segid "    " and resid 16   and name HD% )
       6.000     6.000     0.000 peak   128 spectrum    1 weight  0.10000E+01 volume  0.52774E-05 ppm1      4.096 ppm2      7.004 CV     1
  ASSI {  130}
    (( segid "    " and resid 52   and name HA  ))
    (( segid "    " and resid 53   and name HN  ))
       3.700     1.700     1.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.70475E-03 ppm1      4.084 ppm2      8.588 CV     1
  ASSI {  131}
    (( segid "    " and resid 25   and name HA1 ))
    (( segid "    " and resid 26   and name HN  ))
       2.800     1.000     1.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.45895E-02 ppm1      4.075 ppm2      7.246 CV     1
  ASSI {  137}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       4.300     2.300     1.700 peak   137 spectrum    1 weight  0.10000E+01 volume  0.31574E-03 ppm1      4.056 ppm2      7.553 CV     1
  ASSI {  138}
    (( segid "    " and resid 64   and name HA  ))
    (( segid "    " and resid 65   and name HN  ))
       3.500     1.500     1.500 peak   138 spectrum    1 weight  0.10000E+01 volume  0.82884E-03 ppm1      4.054 ppm2      7.455 CV     1
  ASSI {  145}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 59   and name HN  ))
       2.800     1.000     1.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.29882E-02 ppm1      4.039 ppm2      8.131 CV     1
  ASSI {  147}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 89   and name HZ  ))
       2.800     0.900     0.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.29769E-02 ppm1      4.013 ppm2      7.040 CV     1
  ASSI {  150}
    (( segid "    " and resid 58   and name HA  ))
    (  segid "    " and resid 89   and name HE% )
       2.700     2.700     3.300 peak   150 spectrum    1 weight  0.10000E+01 volume  0.57509E-02 ppm1      4.004 ppm2      6.921 CV     1
  ASSI {  151}
    (( segid "    " and resid 47   and name HA1 ))
    (( segid "    " and resid 47   and name HN  ))
       2.400     0.700     0.700 peak   151 spectrum    1 weight  0.10000E+01 volume  0.47135E-02 ppm1      3.999 ppm2      8.490 CV     1
  ASSI {  152}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 61   and name HN  ))
       6.000     4.900     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.61457E-04 ppm1      3.981 ppm2      7.912 CV     1
  ASSI {  162}
    (( segid "    " and resid 49   and name HD1 ))
    (( segid "    " and resid 48   and name HN  ))
       4.600     2.700     1.400 peak   162 spectrum    1 weight  0.10000E+01 volume  0.10476E-03 ppm1      3.928 ppm2      8.029 CV     1
  ASSI {  163}
    (( segid "    " and resid 75   and name HA  ))
    (( segid "    " and resid 53   and name HZ2 ))
       5.100     3.300     0.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.57170E-04 ppm1      3.920 ppm2      7.498 CV     1
  ASSI {  164}
    (( segid "    " and resid 75   and name HD2 ))
    (( segid "    " and resid 76   and name HN  ))
       2.300     2.300     3.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.35859E-02 ppm1      3.917 ppm2     10.046 CV     1
  ASSI {  166}
    (( segid "    " and resid 75   and name HD2 ))
    (( segid "    " and resid 53   and name HH2 ))
       3.800     1.800     1.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.10329E-02 ppm1      3.914 ppm2      6.796 CV     1
  ASSI {  168}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 19   and name HN  ))
       2.800     1.000     1.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.26387E-02 ppm1      3.904 ppm2      8.943 CV     1
  ASSI {  171}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       2.900     2.900     3.100 peak   171 spectrum    1 weight  0.10000E+01 volume  0.22553E-02 ppm1      3.891 ppm2      7.805 CV     1
  ASSI {  172}
    (( segid "    " and resid 75   and name HD2 ))
    (( segid "    " and resid 80   and name HD22))
       3.800     1.800     1.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.87729E-03 ppm1      3.890 ppm2      6.696 CV     1
  ASSI {  174}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 57   and name HN  ))
       3.000     1.100     1.100 peak   174 spectrum    1 weight  0.10000E+01 volume  0.19959E-02 ppm1      3.878 ppm2      8.473 CV     1
  ASSI {  179}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 51   and name HN  ))
       3.000     1.100     1.100 peak   179 spectrum    1 weight  0.10000E+01 volume  0.13983E-02 ppm1      3.820 ppm2      8.055 CV     1
  ASSI {  182}
    (( segid "    " and resid 88   and name HA  ))
    (( segid "    " and resid 71   and name HN  ))
       3.900     1.900     1.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.58865E-03 ppm1      3.784 ppm2      8.924 CV     1
  ASSI {  185}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 63   and name HN  ))
       3.500     1.500     1.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.87729E-03 ppm1      3.752 ppm2      7.578 CV     1
  ASSI {  186}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 59   and name HD2 ))
       3.500     1.500     1.500 peak   186 spectrum    1 weight  0.10000E+01 volume  0.85252E-03 ppm1      3.753 ppm2      6.833 CV     1
  ASSI {  188}
    (( segid "    " and resid 18   and name HA  ))
    (  segid "    " and resid 89   and name HD% )
       3.800     1.800     1.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.50180E-03 ppm1      3.745 ppm2      7.053 CV     1
  ASSI {  190}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 47   and name HN  ))
       3.200     1.300     1.300 peak   190 spectrum    1 weight  0.10000E+01 volume  0.17366E-02 ppm1      3.737 ppm2      8.489 CV     1
  ASSI {  191}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 18   and name HN  ))
       2.700     0.900     0.900 peak   191 spectrum    1 weight  0.10000E+01 volume  0.23906E-02 ppm1      3.730 ppm2      9.168 CV     1
  ASSI {  194}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 21   and name HN  ))
       4.000     2.000     2.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.57509E-03 ppm1      3.728 ppm2      7.733 CV     1
  ASSI {  195}
    (( segid "    " and resid 66   and name HD1 ))
    (( segid "    " and resid 65   and name HN  ))
       3.000     1.100     1.100 peak   195 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      3.731 ppm2      7.482 CV     1
  ASSI {  196}
    (( segid "    " and resid 53   and name HB1 ))
    (( segid "    " and resid 53   and name HD1 ))
       2.500     0.800     0.800 peak   196 spectrum    1 weight  0.10000E+01 volume  0.55480E-02 ppm1      3.727 ppm2      7.133 CV     1
  ASSI {  201}
    (( segid "    " and resid 25   and name HA2 ))
    (( segid "    " and resid 25   and name HN  ))
       3.100     1.200     1.200 peak   201 spectrum    1 weight  0.10000E+01 volume  0.20298E-02 ppm1      3.650 ppm2      8.403 CV     1
  ASSI {  202}
    (( segid "    " and resid 25   and name HA2 ))
    (( segid "    " and resid 26   and name HN  ))
       3.200     1.200     1.200 peak   202 spectrum    1 weight  0.10000E+01 volume  0.10092E-02 ppm1      3.652 ppm2      7.248 CV     1
  ASSI {  208}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 59   and name HN  ))
       2.900     1.000     1.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.20072E-02 ppm1      3.495 ppm2      8.131 CV     1
  ASSI {  210}
    (( segid "    " and resid 26   and name HB1 ))
    (( segid "    " and resid 26   and name HN  ))
       2.400     0.700     0.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.41497E-02 ppm1      3.477 ppm2      7.241 CV     1
  ASSI {  214}
    (( segid "    " and resid 26   and name HB1 ))
    (  segid "    " and resid 26   and name HD% )
       4.200     2.200     1.800 peak   214 spectrum    1 weight  0.10000E+01 volume  0.20410E-03 ppm1      3.464 ppm2      7.028 CV     1
  ASSI {  218}
    (( segid "    " and resid 66   and name HD2 ))
    (( segid "    " and resid 65   and name HN  ))
       4.400     2.400     1.600 peak   218 spectrum    1 weight  0.10000E+01 volume  0.52435E-03 ppm1      3.455 ppm2      7.452 CV     1
  ASSI {  221}
    (( segid "    " and resid 17   and name HD2 ))
    (  segid "    " and resid 16   and name HD% )
       3.700     1.700     1.700 peak   221 spectrum    1 weight  0.10000E+01 volume  0.84459E-03 ppm1      3.424 ppm2      7.005 CV     1
  ASSI {  223}
    (( segid "    " and resid 15   and name HB1 ))
    (( segid "    " and resid 16   and name HN  ))
       3.600     1.600     1.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.87953E-03 ppm1      3.404 ppm2      8.739 CV     1
  ASSI {  224}
    (( segid "    " and resid 15   and name HB1 ))
    (( segid "    " and resid 15   and name HD2 ))
       4.300     2.300     1.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.19283E-03 ppm1      3.409 ppm2      7.091 CV     1
  ASSI {  225}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 16   and name HZ  ))
       4.000     2.000     2.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.33716E-03 ppm1      3.324 ppm2      7.214 CV     1
  ASSI {  226}
    (( segid "    " and resid 55   and name HA  ))
    (  segid "    " and resid 16   and name HE% )
       3.300     1.400     1.400 peak   226 spectrum    1 weight  0.10000E+01 volume  0.81867E-03 ppm1      3.323 ppm2      7.091 CV     1
  ASSI {  230}
    (( segid "    " and resid 76   and name HD1 ))
    (( segid "    " and resid 53   and name HN  ))
       2.600     2.600     3.400 peak   230 spectrum    1 weight  0.10000E+01 volume  0.16689E-02 ppm1      3.260 ppm2      8.588 CV     1
  ASSI {  232}
    (( segid "    " and resid 76   and name HD1 ))
    (( segid "    " and resid 53   and name HD1 ))
       3.100     1.200     1.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.10070E-02 ppm1      3.261 ppm2      7.137 CV     1
  ASSI {  235}
    (( segid "    " and resid 86   and name HB1 ))
    (( segid "    " and resid 13   and name HN  ))
       4.100     2.100     1.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.12291E-03 ppm1      3.132 ppm2      8.831 CV     1
  ASSI {  238}
    (( segid "    " and resid 40   and name HB1 ))
    (( segid "    " and resid 40   and name HN  ))
       3.400     1.400     1.400 peak   238 spectrum    1 weight  0.10000E+01 volume  0.60894E-03 ppm1      3.071 ppm2      8.667 CV     1
  ASSI {  239}
    (( segid "    " and resid 40   and name HB1 ))
    (( segid "    " and resid 41   and name HN  ))
       3.000     3.000     3.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.20184E-02 ppm1      3.071 ppm2      8.379 CV     1
  ASSI {  241}
    (( segid "    " and resid 85   and name HB1 ))
    (( segid "    " and resid 86   and name HN  ))
       2.500     0.800     0.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.46346E-02 ppm1      3.026 ppm2      9.313 CV     1
  ASSI {  243}
    (( segid "    " and resid 65   and name HB1 ))
    (( segid "    " and resid 65   and name HD21))
       3.200     1.300     1.300 peak   243 spectrum    1 weight  0.10000E+01 volume  0.16576E-02 ppm1      3.025 ppm2      7.713 CV     1
  ASSI {  246}
    (( segid "    " and resid 85   and name HB1 ))
    (  segid "    " and resid 85   and name HD% )
       2.600     0.900     0.900 peak   246 spectrum    1 weight  0.10000E+01 volume  0.28980E-02 ppm1      3.023 ppm2      7.181 CV     1
  ASSI {  253}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 41   and name HN  ))
       3.600     1.600     1.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.15674E-02 ppm1      2.925 ppm2      8.379 CV     1
  ASSI {  256}
    (( segid "    " and resid 80   and name HB1 ))
    (( segid "    " and resid 80   and name HD21))
       3.000     1.100     1.100 peak   256 spectrum    1 weight  0.10000E+01 volume  0.15674E-02 ppm1      2.918 ppm2      7.854 CV     1
  ASSI {  258}
    (( segid "    " and resid 16   and name HB1 ))
    (( segid "    " and resid 21   and name HN  ))
       2.100     2.100     3.900 peak   258 spectrum    1 weight  0.10000E+01 volume  0.28642E-01 ppm1      2.880 ppm2      7.733 CV     1
  ASSI {  259}
    (( segid "    " and resid 16   and name HB1 ))
    (  segid "    " and resid 16   and name HD% )
       2.400     0.700     0.700 peak   259 spectrum    1 weight  0.10000E+01 volume  0.69803E-02 ppm1      2.870 ppm2      7.006 CV     1
  ASSI {  260}
    (( segid "    " and resid 89   and name HB2 ))
    (( segid "    " and resid 89   and name HN  ))
       2.300     0.700     0.700 peak   260 spectrum    1 weight  0.10000E+01 volume  0.50180E-02 ppm1      2.865 ppm2      7.846 CV     1
  ASSI {  262}
    (( segid "    " and resid 35   and name HG1 ))
    (( segid "    " and resid 35   and name HN  ))
       2.900     1.000     1.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.20523E-02 ppm1      2.860 ppm2      8.029 CV     1
  ASSI {  264}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 53   and name HZ2 ))
       3.700     1.700     1.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.81303E-03 ppm1      2.844 ppm2      7.488 CV     1
  ASSI {  266}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 72   and name HN  ))
       3.300     1.400     1.400 peak   266 spectrum    1 weight  0.10000E+01 volume  0.27853E-02 ppm1      2.819 ppm2      8.719 CV     1
  ASSI {  269}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 15   and name HD2 ))
       4.100     2.100     1.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.55026E-03 ppm1      2.806 ppm2      7.092 CV     1
  ASSI {  271}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 73   and name HN  ))
       6.000     4.600     0.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.40369E-04 ppm1      2.798 ppm2      9.167 CV     1
  ASSI {  273}
    (( segid "    " and resid 72   and name HB1 ))
    (  segid "    " and resid 72   and name HD% )
       2.800     1.000     1.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.24244E-02 ppm1      2.792 ppm2      6.874 CV     1
  ASSI {  276}
    (( segid "    " and resid 85   and name HB2 ))
    (( segid "    " and resid 86   and name HN  ))
       4.300     2.300     1.700 peak   276 spectrum    1 weight  0.10000E+01 volume  0.66981E-03 ppm1      2.760 ppm2      9.321 CV     1
  ASSI {  277}
    (( segid "    " and resid 85   and name HB2 ))
    (  segid "    " and resid 85   and name HD% )
       2.800     1.000     1.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.24019E-02 ppm1      2.764 ppm2      7.178 CV     1
  ASSI {  280}
    (( segid "    " and resid 59   and name HB1 ))
    (( segid "    " and resid 59   and name HD2 ))
       5.200     3.400     0.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.69573E-04 ppm1      2.746 ppm2      6.836 CV     1
  ASSI {  282}
    (( segid "    " and resid 80   and name HB2 ))
    (( segid "    " and resid 81   and name HN  ))
       2.900     1.000     1.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.17366E-02 ppm1      2.709 ppm2      7.714 CV     1
  ASSI {  285}
    (( segid "    " and resid 86   and name HB2 ))
    (( segid "    " and resid 86   and name HN  ))
       3.400     1.500     1.500 peak   285 spectrum    1 weight  0.10000E+01 volume  0.59199E-03 ppm1      2.689 ppm2      9.325 CV     1
  ASSI {  286}
    (( segid "    " and resid 72   and name HB2 ))
    (  segid "    " and resid 72   and name HE% )
       4.400     2.400     1.600 peak   286 spectrum    1 weight  0.10000E+01 volume  0.56158E-03 ppm1      2.688 ppm2      6.349 CV     1
  ASSI {  287}
    (( segid "    " and resid 80   and name HB2 ))
    (( segid "    " and resid 80   and name HD21))
       3.500     1.500     1.500 peak   287 spectrum    1 weight  0.10000E+01 volume  0.47924E-03 ppm1      2.672 ppm2      7.820 CV     1
  ASSI {  289}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 16   and name HD% )
       2.400     0.700     0.700 peak   289 spectrum    1 weight  0.10000E+01 volume  0.46909E-02 ppm1      2.658 ppm2      7.008 CV     1
  ASSI {  290}
    (( segid "    " and resid 72   and name HB2 ))
    (( segid "    " and resid 73   and name HN  ))
       4.100     2.100     1.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.63935E-03 ppm1      2.650 ppm2      9.171 CV     1
  ASSI {  291}
    (( segid "    " and resid 72   and name HB2 ))
    (  segid "    " and resid 72   and name HD% )
       2.800     1.000     1.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.26049E-02 ppm1      2.651 ppm2      6.873 CV     1
  ASSI {  294}
    (( segid "    " and resid 35   and name HB1 ))
    (( segid "    " and resid 35   and name HE21))
       4.100     2.100     1.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.50180E-03 ppm1      2.623 ppm2      7.846 CV     1
  ASSI {  295}
    (( segid "    " and resid 35   and name HB1 ))
    (( segid "    " and resid 36   and name HN  ))
       3.500     1.500     1.500 peak   295 spectrum    1 weight  0.10000E+01 volume  0.96413E-03 ppm1      2.616 ppm2      7.573 CV     1
  ASSI {  296}
    (( segid "    " and resid 35   and name HB1 ))
    (( segid "    " and resid 35   and name HE22))
       4.100     2.100     1.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.42512E-03 ppm1      2.619 ppm2      7.092 CV     1
  ASSI {  297}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HN  ))
       2.600     0.800     0.800 peak   297 spectrum    1 weight  0.10000E+01 volume  0.27176E-02 ppm1      2.615 ppm2      8.379 CV     1
  ASSI {  300}
    (( segid "    " and resid 17   and name HB1 ))
    (( segid "    " and resid 18   and name HN  ))
       4.700     2.800     1.300 peak   300 spectrum    1 weight  0.10000E+01 volume  0.33265E-03 ppm1      2.566 ppm2      9.165 CV     1
  ASSI {  301}
    (( segid "    " and resid 17   and name HB1 ))
    (( segid "    " and resid 20   and name HN  ))
       4.300     2.400     1.700 peak   301 spectrum    1 weight  0.10000E+01 volume  0.46684E-03 ppm1      2.552 ppm2      7.091 CV     1
  ASSI {  302}
    (( segid "    " and resid 26   and name HB2 ))
    (  segid "    " and resid 26   and name HD% )
       2.400     2.400     3.600 peak   302 spectrum    1 weight  0.10000E+01 volume  0.62584E-02 ppm1      2.553 ppm2      7.002 CV     1
  ASSI {  303}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 59   and name HE1 ))
       4.100     2.100     1.900 peak   303 spectrum    1 weight  0.10000E+01 volume  0.10521E-02 ppm1      2.547 ppm2      8.028 CV     1
  ASSI {  307}
    (( segid "    " and resid 90   and name HB2 ))
    (( segid "    " and resid 18   and name HN  ))
       4.000     2.000     2.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.42737E-03 ppm1      2.483 ppm2      9.168 CV     1
  ASSI {  308}
    (( segid "    " and resid 90   and name HB2 ))
    (( segid "    " and resid 91   and name HN  ))
       4.300     2.400     1.700 peak   308 spectrum    1 weight  0.10000E+01 volume  0.52210E-03 ppm1      2.485 ppm2      8.999 CV     1
  ASSI {  311}
    (( segid "    " and resid 91   and name HG1 ))
    (( segid "    " and resid 91   and name HN  ))
       3.200     1.300     1.300 peak   311 spectrum    1 weight  0.10000E+01 volume  0.13306E-02 ppm1      2.394 ppm2      8.997 CV     1
  ASSI {  312}
    (( segid "    " and resid 91   and name HG1 ))
    (( segid "    " and resid 92   and name HN  ))
       4.500     2.500     1.500 peak   312 spectrum    1 weight  0.10000E+01 volume  0.47586E-03 ppm1      2.394 ppm2      8.080 CV     1
  ASSI {  314}
    (( segid "    " and resid 69   and name HB1 ))
    (( segid "    " and resid 89   and name HN  ))
       3.700     1.800     1.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.54917E-03 ppm1      2.390 ppm2      7.879 CV     1
  ASSI {  316}
    (( segid "    " and resid 43   and name HB1 ))
    (( segid "    " and resid 45   and name HN  ))
       5.200     3.400     0.800 peak   316 spectrum    1 weight  0.10000E+01 volume  0.16351E-03 ppm1      2.375 ppm2      8.392 CV     1
  ASSI {  317}
    (( segid "    " and resid 36   and name HB1 ))
    (( segid "    " and resid 36   and name HN  ))
       3.400     1.400     1.400 peak   317 spectrum    1 weight  0.10000E+01 volume  0.19395E-02 ppm1      2.341 ppm2      7.574 CV     1
  ASSI {  318}
    (( segid "    " and resid 46   and name HB1 ))
    (( segid "    " and resid 53   and name HE1 ))
       4.000     2.000     2.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.10092E-02 ppm1      2.336 ppm2     10.313 CV     1
  ASSI {  321}
    (( segid "    " and resid 46   and name HB1 ))
    (( segid "    " and resid 53   and name HD1 ))
       3.700     3.700     2.300 peak   321 spectrum    1 weight  0.10000E+01 volume  0.13081E-02 ppm1      2.329 ppm2      7.139 CV     1
  ASSI {  323}
    (( segid "    " and resid 92   and name HG1 ))
    (( segid "    " and resid 91   and name HN  ))
       3.900     1.900     1.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.14434E-03 ppm1      2.287 ppm2      9.048 CV     1
  ASSI {  325}
    (( segid "    " and resid 57   and name HB1 ))
    (( segid "    " and resid 53   and name HH2 ))
       4.700     2.800     1.300 peak   325 spectrum    1 weight  0.10000E+01 volume  0.28755E-03 ppm1      2.267 ppm2      6.835 CV     1
  ASSI {  328}
    (( segid "    " and resid 51   and name HB1 ))
    (( segid "    " and resid 55   and name HN  ))
       3.700     1.700     1.700 peak   328 spectrum    1 weight  0.10000E+01 volume  0.95172E-03 ppm1      2.249 ppm2      7.572 CV     1
  ASSI {  332}
    (( segid "    " and resid 57   and name HB1 ))
    (( segid "    " and resid 57   and name HN  ))
       2.500     0.800     0.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.99005E-02 ppm1      2.235 ppm2      8.481 CV     1
  ASSI {  333}
    (( segid "    " and resid 70   and name HG1 ))
    (  segid "    " and resid 72   and name HE% )
       5.300     3.500     0.700 peak   333 spectrum    1 weight  0.10000E+01 volume  0.49165E-04 ppm1      2.204 ppm2      6.352 CV     1
  ASSI {  334}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 48   and name HN  ))
       3.100     1.200     1.200 peak   334 spectrum    1 weight  0.10000E+01 volume  0.13306E-02 ppm1      2.193 ppm2      8.081 CV     1
  ASSI {  336}
    (( segid "    " and resid 84   and name HB1 ))
    (( segid "    " and resid 85   and name HN  ))
       3.200     1.300     1.300 peak   336 spectrum    1 weight  0.10000E+01 volume  0.12291E-02 ppm1      2.184 ppm2      9.223 CV     1
  ASSI {  337}
    (( segid "    " and resid 70   and name HG1 ))
    (( segid "    " and resid 69   and name HN  ))
       3.800     1.800     1.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.16576E-02 ppm1      2.185 ppm2      9.000 CV     1
  ASSI {  339}
    (( segid "    " and resid 84   and name HG1 ))
    (( segid "    " and resid 84   and name HE21))
       2.300     2.300     3.700 peak   339 spectrum    1 weight  0.10000E+01 volume  0.74763E-02 ppm1      2.187 ppm2      8.212 CV     1
  ASSI {  341}
    (( segid "    " and resid 28   and name HB1 ))
    (( segid "    " and resid 28   and name HN  ))
       3.400     1.400     1.400 peak   341 spectrum    1 weight  0.10000E+01 volume  0.11197E-02 ppm1      2.178 ppm2      7.254 CV     1
  ASSI {  342}
    (( segid "    " and resid 75   and name HG1 ))
    (( segid "    " and resid 53   and name HE1 ))
       4.600     2.600     1.400 peak   342 spectrum    1 weight  0.10000E+01 volume  0.16915E-03 ppm1      2.136 ppm2     10.318 CV     1
  ASSI {  343}
    (( segid "    " and resid 54   and name HB  ))
    (( segid "    " and resid 53   and name HE3 ))
       3.400     1.400     1.400 peak   343 spectrum    1 weight  0.10000E+01 volume  0.11254E-02 ppm1      2.131 ppm2      7.137 CV     1
  ASSI {  344}
    (( segid "    " and resid 59   and name HB2 ))
    (( segid "    " and resid 60   and name HN  ))
       4.300     2.300     1.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.82884E-03 ppm1      2.116 ppm2      8.592 CV     1
  ASSI {  346}
    (( segid "    " and resid 59   and name HB2 ))
    (( segid "    " and resid 59   and name HD2 ))
       4.700     2.800     1.300 peak   346 spectrum    1 weight  0.10000E+01 volume  0.14208E-03 ppm1      2.118 ppm2      6.831 CV     1
  ASSI {  348}
    (( segid "    " and resid 59   and name HB2 ))
    (( segid "    " and resid 59   and name HE1 ))
       3.600     1.600     1.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.12968E-02 ppm1      2.111 ppm2      8.023 CV     1
  ASSI {  350}
    (( segid "    " and resid 75   and name HG1 ))
    (  segid "    " and resid 85   and name HE% )
       3.000     1.100     1.100 peak   350 spectrum    1 weight  0.10000E+01 volume  0.12855E-02 ppm1      2.104 ppm2      7.253 CV     1
  ASSI {  354}
    (( segid "    " and resid 68   and name HB  ))
    (( segid "    " and resid 69   and name HN  ))
       2.300     0.700     0.700 peak   354 spectrum    1 weight  0.10000E+01 volume  0.32137E-02 ppm1      2.056 ppm2      9.052 CV     1
  ASSI {  368}
    (( segid "    " and resid 28   and name HG1 ))
    (( segid "    " and resid 28   and name HN  ))
       4.200     2.200     1.800 peak   368 spectrum    1 weight  0.10000E+01 volume  0.35859E-03 ppm1      2.007 ppm2      7.322 CV     1
  ASSI {  372}
    (( segid "    " and resid 39   and name HB  ))
    (( segid "    " and resid 13   and name HN  ))
       2.700     2.700     3.300 peak   372 spectrum    1 weight  0.10000E+01 volume  0.18380E-02 ppm1      2.002 ppm2      8.773 CV     1
  ASSI {  373}
    (( segid "    " and resid 10   and name HB  ))
    (( segid "    " and resid 11   and name HN  ))
       3.200     1.300     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.20748E-02 ppm1      2.004 ppm2      8.259 CV     1
  ASSI {  379}
    (( segid "    " and resid 32   and name HB1 ))
    (( segid "    " and resid 33   and name HN  ))
       3.000     1.100     1.100 peak   379 spectrum    1 weight  0.10000E+01 volume  0.10904E-02 ppm1      1.985 ppm2      6.922 CV     1
  ASSI {  386}
    (( segid "    " and resid 20   and name HB1 ))
    (( segid "    " and resid 20   and name HN  ))
       3.600     1.600     1.600 peak   386 spectrum    1 weight  0.10000E+01 volume  0.13306E-02 ppm1      1.943 ppm2      7.096 CV     1
  ASSI {  387}
    (( segid "    " and resid 20   and name HB1 ))
    (( segid "    " and resid 23   and name HN  ))
       2.700     2.700     3.300 peak   387 spectrum    1 weight  0.10000E+01 volume  0.53901E-02 ppm1      1.942 ppm2      6.695 CV     1
  ASSI {  388}
    (( segid "    " and resid 73   and name HB1 ))
    (( segid "    " and resid 73   and name HN  ))
       3.200     1.300     1.300 peak   388 spectrum    1 weight  0.10000E+01 volume  0.19508E-02 ppm1      1.935 ppm2      9.178 CV     1
  ASSI {  392}
    (( segid "    " and resid 73   and name HB1 ))
    (( segid "    " and resid 53   and name HH2 ))
       3.700     1.700     1.700 peak   392 spectrum    1 weight  0.10000E+01 volume  0.29544E-03 ppm1      1.928 ppm2      6.795 CV     1
  ASSI {  394}
    (( segid "    " and resid 84   and name HB2 ))
    (( segid "    " and resid 84   and name HN  ))
       3.000     1.100     1.100 peak   394 spectrum    1 weight  0.10000E+01 volume  0.12517E-02 ppm1      1.923 ppm2      8.257 CV     1
  ASSI {  395}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 19   and name HN  ))
       2.800     1.000     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.25034E-02 ppm1      1.916 ppm2      8.942 CV     1
  ASSI {  396}
    (( segid "    " and resid 75   and name HG2 ))
    (( segid "    " and resid 80   and name HD21))
       3.900     1.900     1.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.24808E-03 ppm1      1.916 ppm2      7.868 CV     1
  ASSI {  397}
    (( segid "    " and resid 12   and name HB  ))
    (( segid "    " and resid 86   and name HN  ))
       5.300     3.500     0.700 peak   397 spectrum    1 weight  0.10000E+01 volume  0.11130E-03 ppm1      1.905 ppm2      9.327 CV     1
  ASSI {  398}
    (( segid "    " and resid 12   and name HB  ))
    (( segid "    " and resid 12   and name HN  ))
       2.600     0.900     0.900 peak   398 spectrum    1 weight  0.10000E+01 volume  0.33152E-02 ppm1      1.908 ppm2      8.591 CV     1
  ASSI {  399}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 47   and name HN  ))
       4.300     2.300     1.700 peak   399 spectrum    1 weight  0.10000E+01 volume  0.31123E-03 ppm1      1.907 ppm2      8.474 CV     1
  ASSI {  402}
    (( segid "    " and resid 55   and name HG11))
    (( segid "    " and resid 56   and name HN  ))
       3.500     1.600     1.600 peak   402 spectrum    1 weight  0.10000E+01 volume  0.16125E-02 ppm1      1.900 ppm2      8.334 CV     1
  ASSI {  404}
    (( segid "    " and resid 75   and name HG2 ))
    (  segid "    " and resid 85   and name HE% )
       3.100     1.200     1.200 peak   404 spectrum    1 weight  0.10000E+01 volume  0.15336E-02 ppm1      1.892 ppm2      7.252 CV     1
  ASSI {  405}
    (( segid "    " and resid 75   and name HG2 ))
    (( segid "    " and resid 53   and name HH2 ))
       4.500     2.500     1.500 peak   405 spectrum    1 weight  0.10000E+01 volume  0.39016E-03 ppm1      1.891 ppm2      6.824 CV     1
  ASSI {  406}
    (( segid "    " and resid 75   and name HG2 ))
    (( segid "    " and resid 80   and name HD22))
       4.000     2.000     2.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.51646E-03 ppm1      1.892 ppm2      6.694 CV     1
  ASSI {  407}
    (( segid "    " and resid 12   and name HB  ))
    (( segid "    " and resid 13   and name HN  ))
       4.000     2.000     2.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.55928E-03 ppm1      1.880 ppm2      8.773 CV     1
  ASSI {  409}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 20   and name HN  ))
       2.700     0.900     0.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.28078E-02 ppm1      1.883 ppm2      7.092 CV     1
  ASSI {  412}
    (( segid "    " and resid 76   and name HB2 ))
    (( segid "    " and resid 78   and name HN  ))
       3.600     1.600     1.600 peak   412 spectrum    1 weight  0.10000E+01 volume  0.11040E-02 ppm1      1.824 ppm2      7.937 CV     1
  ASSI {  417}
    (( segid "    " and resid 18   and name HB1 ))
    (( segid "    " and resid 19   and name HN  ))
       2.200     0.600     0.600 peak   417 spectrum    1 weight  0.10000E+01 volume  0.74085E-02 ppm1      1.797 ppm2      8.943 CV     1
  ASSI {  418}
    (( segid "    " and resid 63   and name HB1 ))
    (( segid "    " and resid 63   and name HN  ))
       2.500     0.800     0.800 peak   418 spectrum    1 weight  0.10000E+01 volume  0.55026E-02 ppm1      1.799 ppm2      7.580 CV     1
  ASSI {  419}
    (( segid "    " and resid 63   and name HB1 ))
    (( segid "    " and resid 65   and name HN  ))
       4.700     2.800     1.300 peak   419 spectrum    1 weight  0.10000E+01 volume  0.22440E-03 ppm1      1.801 ppm2      7.455 CV     1
  ASSI {  421}
    (( segid "    " and resid 19   and name HB1 ))
    (( segid "    " and resid 20   and name HN  ))
       2.800     1.000     1.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.40031E-02 ppm1      1.801 ppm2      7.098 CV     1
  ASSI {  422}
    (( segid "    " and resid 63   and name HB1 ))
    (( segid "    " and resid 64   and name HN  ))
       2.700     0.900     0.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.44429E-02 ppm1      1.796 ppm2      7.318 CV     1
  ASSI {  423}
    (( segid "    " and resid 18   and name HB1 ))
    (( segid "    " and resid 18   and name HN  ))
       2.500     0.800     0.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.51195E-02 ppm1      1.788 ppm2      9.170 CV     1
  ASSI {  427}
    (( segid "    " and resid 83   and name HB  ))
    (( segid "    " and resid 84   and name HN  ))
       3.600     1.600     1.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.18719E-02 ppm1      1.752 ppm2      8.262 CV     1
  ASSI {  428}
    (( segid "    " and resid 68   and name HG11))
    (( segid "    " and resid 68   and name HN  ))
       3.100     1.200     1.200 peak   428 spectrum    1 weight  0.10000E+01 volume  0.24244E-02 ppm1      1.745 ppm2      7.652 CV     1
  ASSI {  429}
    (( segid "    " and resid 83   and name HB  ))
    (( segid "    " and resid 80   and name HD22))
       3.900     1.900     1.900 peak   429 spectrum    1 weight  0.10000E+01 volume  0.10972E-02 ppm1      1.748 ppm2      6.701 CV     1
  ASSI {  430}
    (( segid "    " and resid 55   and name HB  ))
    (( segid "    " and resid 56   and name HN  ))
       2.700     0.900     0.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.32025E-02 ppm1      1.717 ppm2      8.328 CV     1
  ASSI {  431}
    (( segid "    " and resid 55   and name HB  ))
    (( segid "    " and resid 55   and name HN  ))
       3.000     1.100     1.100 peak   431 spectrum    1 weight  0.10000E+01 volume  0.15674E-02 ppm1      1.720 ppm2      7.547 CV     1
  ASSI {  433}
    (( segid "    " and resid 44   and name HB1 ))
    (( segid "    " and resid 44   and name HN  ))
       2.900     1.000     1.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.41046E-02 ppm1      1.710 ppm2      8.494 CV     1
  ASSI {  436}
    (( segid "    " and resid 76   and name HG1 ))
    (( segid "    " and resid 76   and name HN  ))
       3.000     1.100     1.100 peak   436 spectrum    1 weight  0.10000E+01 volume  0.11164E-02 ppm1      1.707 ppm2     10.044 CV     1
  ASSI {  442}
    (( segid "    " and resid 73   and name HB2 ))
    (( segid "    " and resid 53   and name HH2 ))
       4.300     2.300     1.700 peak   442 spectrum    1 weight  0.10000E+01 volume  0.65630E-03 ppm1      1.694 ppm2      6.796 CV     1
  ASSI {  443}
    (( segid "    " and resid 73   and name HB2 ))
    (( segid "    " and resid 73   and name HN  ))
       3.000     1.100     1.100 peak   443 spectrum    1 weight  0.10000E+01 volume  0.12404E-02 ppm1      1.692 ppm2      9.178 CV     1
  ASSI {  448}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 32   and name HN  ))
       3.800     1.900     1.900 peak   448 spectrum    1 weight  0.10000E+01 volume  0.78935E-03 ppm1      1.667 ppm2      7.200 CV     1
  ASSI {  449}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HN  ))
       2.300     0.700     0.700 peak   449 spectrum    1 weight  0.10000E+01 volume  0.46346E-02 ppm1      1.663 ppm2      8.300 CV     1
  ASSI {  450}
    (( segid "    " and resid 50   and name HB2 ))
    (( segid "    " and resid 85   and name HZ  ))
       4.200     2.200     1.800 peak   450 spectrum    1 weight  0.10000E+01 volume  0.47586E-03 ppm1      1.663 ppm2      7.322 CV     1
  ASSI {  452}
    (( segid "    " and resid 70   and name HB2 ))
    (( segid "    " and resid 89   and name HN  ))
       5.100     3.300     0.900 peak   452 spectrum    1 weight  0.10000E+01 volume  0.20748E-03 ppm1      1.600 ppm2      7.871 CV     1
  ASSI {  453}
    (( segid "    " and resid 70   and name HB2 ))
    (( segid "    " and resid 69   and name HN  ))
       2.200     2.200     3.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.49165E-01 ppm1      1.598 ppm2      8.989 CV     1
  ASSI {  455}
    (( segid "    " and resid 44   and name HB2 ))
    (( segid "    " and resid 44   and name HN  ))
       2.900     1.100     1.100 peak   455 spectrum    1 weight  0.10000E+01 volume  0.29431E-02 ppm1      1.595 ppm2      8.487 CV     1
  ASSI {  456}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
       2.900     1.000     1.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.40821E-02 ppm1      1.596 ppm2      8.302 CV     1
  ASSI {  457}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       3.800     1.800     1.800 peak   457 spectrum    1 weight  0.10000E+01 volume  0.72958E-03 ppm1      1.599 ppm2      8.033 CV     1
  ASSI {  459}
    (( segid "    " and resid 70   and name HB2 ))
    (( segid "    " and resid 70   and name HN  ))
       4.800     2.900     1.200 peak   459 spectrum    1 weight  0.10000E+01 volume  0.13419E-03 ppm1      1.592 ppm2      7.537 CV     1
  ASSI {  465}
    (( segid "    " and resid 50   and name HG  ))
    (( segid "    " and resid 85   and name HZ  ))
       3.300     1.400     1.400 peak   465 spectrum    1 weight  0.10000E+01 volume  0.10769E-02 ppm1      1.567 ppm2      7.317 CV     1
  ASSI {  471}
    (( segid "    " and resid 33   and name HG  ))
    (( segid "    " and resid 34   and name HN  ))
       3.600     1.600     1.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.13870E-02 ppm1      1.546 ppm2      8.310 CV     1
  ASSI {  477}
    (  segid "    " and resid 61   and name HB% )
    (( segid "    " and resid 71   and name HN  ))
       3.400     3.400     2.600 peak   477 spectrum    1 weight  0.10000E+01 volume  0.19734E-02 ppm1      1.498 ppm2      8.943 CV     1
  ASSI {  478}
    (( segid "    " and resid 68   and name HG12))
    (( segid "    " and resid 68   and name HN  ))
       1.600     0.300     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.36423E-01 ppm1      1.485 ppm2      7.639 CV     1
  ASSI {  479}
    (  segid "    " and resid 61   and name HB% )
    (( segid "    " and resid 61   and name HN  ))
       2.400     0.700     0.700 peak   479 spectrum    1 weight  0.10000E+01 volume  0.57170E-02 ppm1      1.482 ppm2      7.868 CV     1
  ASSI {  480}
    (( segid "    " and resid 68   and name HG12))
    (( segid "    " and resid 67   and name HN  ))
       2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.52999E-02 ppm1      1.481 ppm2      7.582 CV     1
  ASSI {  481}
    (  segid "    " and resid 61   and name HB% )
    (( segid "    " and resid 65   and name HN  ))
       3.700     1.700     1.700 peak   481 spectrum    1 weight  0.10000E+01 volume  0.41159E-03 ppm1      1.479 ppm2      7.454 CV     1
  ASSI {  484}
    (  segid "    " and resid 77   and name HB% )
    (( segid "    " and resid 77   and name HN  ))
       2.600     0.800     0.800 peak   484 spectrum    1 weight  0.10000E+01 volume  0.36648E-02 ppm1      1.449 ppm2      9.689 CV     1
  ASSI {  487}
    (( segid "    " and resid 19   and name HG1 ))
    (( segid "    " and resid 19   and name HN  ))
       3.000     1.200     1.200 peak   487 spectrum    1 weight  0.10000E+01 volume  0.17027E-02 ppm1      1.403 ppm2      8.944 CV     1
  ASSI {  489}
    (( segid "    " and resid 67   and name HG1 ))
    (( segid "    " and resid 67   and name HN  ))
       3.200     1.300     1.300 peak   489 spectrum    1 weight  0.10000E+01 volume  0.88068E-03 ppm1      1.388 ppm2      7.586 CV     1
  ASSI {  491}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 18   and name HN  ))
       2.400     0.700     0.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.36987E-02 ppm1      1.302 ppm2      9.167 CV     1
  ASSI {  492}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 19   and name HN  ))
       3.600     1.600     1.600 peak   492 spectrum    1 weight  0.10000E+01 volume  0.12968E-02 ppm1      1.298 ppm2      8.943 CV     1
  ASSI {  495}
    (  segid "    " and resid 9    and name HB% )
    (( segid "    " and resid 82   and name HN  ))
       3.500     3.500     2.500 peak   495 spectrum    1 weight  0.10000E+01 volume  0.14547E-02 ppm1      1.271 ppm2      8.472 CV     1
  ASSI {  497}
    (( segid "    " and resid 14   and name HB  ))
    (( segid "    " and resid 14   and name HN  ))
       2.600     0.800     0.800 peak   497 spectrum    1 weight  0.10000E+01 volume  0.38453E-02 ppm1      1.264 ppm2      8.578 CV     1
  ASSI {  499}
    (  segid "    " and resid 22   and name HB% )
    (( segid "    " and resid 22   and name HN  ))
       2.200     0.600     0.600 peak   499 spectrum    1 weight  0.10000E+01 volume  0.10983E-01 ppm1      1.266 ppm2      7.734 CV     1
  ASSI {  501}
    (  segid "    " and resid 22   and name HB% )
    (( segid "    " and resid 23   and name HN  ))
       3.200     1.300     1.300 peak   501 spectrum    1 weight  0.10000E+01 volume  0.15111E-02 ppm1      1.263 ppm2      6.709 CV     1
  ASSI {  505}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 63   and name HN  ))
       6.000     5.500     0.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.60779E-04 ppm1      1.190 ppm2      7.576 CV     1
  ASSI {  506}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 62   and name HN  ))
       2.100     0.500     0.500 peak   506 spectrum    1 weight  0.10000E+01 volume  0.12066E-01 ppm1      1.186 ppm2      7.054 CV     1
  ASSI {  507}
    (( segid "    " and resid 62   and name HB2 ))
    (  segid "    " and resid 89   and name HE% )
       4.400     2.400     1.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.13419E-03 ppm1      1.191 ppm2      6.918 CV     1
  ASSI {  508}
    (( segid "    " and resid 45   and name HB1 ))
    (( segid "    " and resid 47   and name HN  ))
       3.800     1.800     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.46459E-03 ppm1      1.167 ppm2      8.483 CV     1
  ASSI {  511}
    (( segid "    " and resid 62   and name HG  ))
    (  segid "    " and resid 89   and name HE% )
       4.400     2.400     1.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.23342E-03 ppm1      1.141 ppm2      6.918 CV     1
  ASSI {  514}
    (  segid "    " and resid 39   and name HG1%)
    (( segid "    " and resid 40   and name HN  ))
       2.600     2.600     3.400 peak   514 spectrum    1 weight  0.10000E+01 volume  0.15449E-02 ppm1      1.126 ppm2      8.669 CV     1
  ASSI {  515}
    (( segid "    " and resid 45   and name HB1 ))
    (( segid "    " and resid 85   and name HZ  ))
       3.700     1.700     1.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.57170E-03 ppm1      1.126 ppm2      7.304 CV     1
  ASSI {  516}
    (( segid "    " and resid 45   and name HB1 ))
    (  segid "    " and resid 85   and name HE% )
       4.400     2.400     1.600 peak   516 spectrum    1 weight  0.10000E+01 volume  0.18042E-03 ppm1      1.126 ppm2      7.254 CV     1
  ASSI {  519}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 40   and name HN  ))
       3.400     1.500     1.500 peak   519 spectrum    1 weight  0.10000E+01 volume  0.32701E-03 ppm1      1.047 ppm2      8.665 CV     1
  ASSI {  522}
    (  segid "    " and resid 68   and name HG2%)
    (( segid "    " and resid 69   and name HN  ))
       4.400     2.400     1.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.69239E-03 ppm1      1.038 ppm2      8.991 CV     1
  ASSI {  527}
    (( segid "    " and resid 21   and name HG11))
    (  segid "    " and resid 89   and name HE% )
       3.300     1.400     1.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.25485E-02 ppm1      1.035 ppm2      6.918 CV     1
  ASSI {  528}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 53   and name HZ2 ))
       3.000     1.100     1.100 peak   528 spectrum    1 weight  0.10000E+01 volume  0.21312E-02 ppm1      1.027 ppm2      7.485 CV     1
  ASSI {  531}
    (( segid "    " and resid 21   and name HG12))
    (  segid "    " and resid 16   and name HD% )
       3.400     1.400     1.400 peak   531 spectrum    1 weight  0.10000E+01 volume  0.55256E-03 ppm1      0.963 ppm2      6.998 CV     1
  ASSI {  535}
    (  segid "    " and resid 12   and name HG1%)
    (  segid "    " and resid 85   and name HD% )
       3.200     1.300     1.300 peak   535 spectrum    1 weight  0.10000E+01 volume  0.12742E-02 ppm1      0.945 ppm2      7.182 CV     1
  ASSI {  536}
    (  segid "    " and resid 10   and name HG1%)
    (( segid "    " and resid 11   and name HN  ))
       2.900     1.000     1.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.31236E-02 ppm1      0.935 ppm2      8.302 CV     1
  ASSI {  537}
    (  segid "    " and resid 68   and name HD1%)
    (( segid "    " and resid 68   and name HN  ))
       4.700     2.700     1.300 peak   537 spectrum    1 weight  0.10000E+01 volume  0.42512E-03 ppm1      0.909 ppm2      7.645 CV     1
  ASSI {  538}
    (  segid "    " and resid 68   and name HD1%)
    (  segid "    " and resid 89   and name HE% )
       2.900     1.100     1.100 peak   538 spectrum    1 weight  0.10000E+01 volume  0.19621E-02 ppm1      0.908 ppm2      6.920 CV     1
  ASSI {  540}
    (  segid "    " and resid 68   and name HD1%)
    (( segid "    " and resid 70   and name HN  ))
       4.200     2.200     1.800 peak   540 spectrum    1 weight  0.10000E+01 volume  0.48263E-03 ppm1      0.907 ppm2      7.535 CV     1
  ASSI {  541}
    (  segid "    " and resid 68   and name HD1%)
    (( segid "    " and resid 65   and name HD22))
       2.700     0.900     0.900 peak   541 spectrum    1 weight  0.10000E+01 volume  0.21199E-02 ppm1      0.907 ppm2      7.042 CV     1
  ASSI {  548}
    (  segid "    " and resid 55   and name HG2%)
    (( segid "    " and resid 55   and name HN  ))
       4.000     2.000     2.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.74085E-03 ppm1      0.828 ppm2      7.551 CV     1
  ASSI {  550}
    (  segid "    " and resid 55   and name HG2%)
    (  segid "    " and resid 26   and name HE% )
       2.900     1.100     1.100 peak   550 spectrum    1 weight  0.10000E+01 volume  0.21312E-02 ppm1      0.813 ppm2      6.920 CV     1
  ASSI {  551}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 71   and name HN  ))
       4.000     2.000     2.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.43189E-03 ppm1      0.809 ppm2      8.921 CV     1
  ASSI {  557}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 13   and name HN  ))
       6.000     5.300     0.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.42737E-04 ppm1      0.804 ppm2      8.769 CV     1
  ASSI {  558}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 73   and name HN  ))
       3.600     1.700     1.700 peak   558 spectrum    1 weight  0.10000E+01 volume  0.78481E-03 ppm1      0.793 ppm2      9.165 CV     1
  ASSI {  563}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 72   and name HN  ))
       2.200     2.200     3.800 peak   563 spectrum    1 weight  0.10000E+01 volume  0.15449E-01 ppm1      0.754 ppm2      8.667 CV     1
  ASSI {  569}
    (  segid "    " and resid 71   and name HG2%)
    (  segid "    " and resid 89   and name HE% )
       3.200     1.200     1.200 peak   569 spectrum    1 weight  0.10000E+01 volume  0.10814E-02 ppm1      0.752 ppm2      6.917 CV     1
  ASSI {  570}
    (  segid "    " and resid 55   and name HD1%)
    (( segid "    " and resid 16   and name HZ  ))
       3.300     1.400     1.400 peak   570 spectrum    1 weight  0.10000E+01 volume  0.17366E-02 ppm1      0.743 ppm2      7.175 CV     1
  ASSI {  571}
    (  segid "    " and resid 83   and name HG1%)
    (( segid "    " and resid 84   and name HN  ))
       4.000     2.000     2.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.56043E-03 ppm1      0.734 ppm2      8.258 CV     1
  ASSI {  575}
    (  segid "    " and resid 83   and name HG1%)
    (( segid "    " and resid 80   and name HD21))
       2.500     0.800     0.800 peak   575 spectrum    1 weight  0.10000E+01 volume  0.40595E-02 ppm1      0.708 ppm2      7.855 CV     1
  ASSI {  578}
    (  segid "    " and resid 21   and name HG2%)
    (( segid "    " and resid 21   and name HN  ))
       2.200     0.600     0.600 peak   578 spectrum    1 weight  0.10000E+01 volume  0.74763E-02 ppm1      0.700 ppm2      7.731 CV     1
  ASSI {  581}
    (  segid "    " and resid 21   and name HG2%)
    (  segid "    " and resid 89   and name HE% )
       3.200     1.300     1.300 peak   581 spectrum    1 weight  0.10000E+01 volume  0.13983E-02 ppm1      0.701 ppm2      6.919 CV     1
  ASSI {  584}
    (  segid "    " and resid 88   and name HG2%)
    (( segid "    " and resid 15   and name HD2 ))
       3.700     1.700     1.700 peak   584 spectrum    1 weight  0.10000E+01 volume  0.56268E-03 ppm1      0.697 ppm2      7.093 CV     1
  ASSI {  585}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 59   and name HD2 ))
       3.100     1.200     1.200 peak   585 spectrum    1 weight  0.10000E+01 volume  0.23455E-02 ppm1      0.696 ppm2      6.846 CV     1
  ASSI {  588}
    (  segid "    " and resid 73   and name HD1%)
    (( segid "    " and resid 53   and name HZ2 ))
       4.100     2.100     1.900 peak   588 spectrum    1 weight  0.10000E+01 volume  0.58635E-03 ppm1      0.689 ppm2      7.494 CV     1
  ASSI {  590}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 59   and name HN  ))
       3.300     1.400     1.400 peak   590 spectrum    1 weight  0.10000E+01 volume  0.13306E-02 ppm1      0.681 ppm2      8.130 CV     1
  ASSI {  591}
    (( segid "    " and resid 55   and name HG12))
    (( segid "    " and resid 16   and name HZ  ))
       2.500     0.800     0.800 peak   591 spectrum    1 weight  0.10000E+01 volume  0.33716E-02 ppm1      0.647 ppm2      7.207 CV     1
  ASSI {  595}
    (( segid "    " and resid 45   and name HG1 ))
    (( segid "    " and resid 80   and name HD22))
       3.400     1.500     1.500 peak   595 spectrum    1 weight  0.10000E+01 volume  0.87051E-03 ppm1      0.614 ppm2      6.692 CV     1
  ASSI {  597}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 55   and name HN  ))
       2.900     1.100     1.100 peak   597 spectrum    1 weight  0.10000E+01 volume  0.21425E-02 ppm1      0.586 ppm2      7.549 CV     1
  ASSI {  598}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 16   and name HZ  ))
       2.800     1.000     1.000 peak   598 spectrum    1 weight  0.10000E+01 volume  0.21538E-02 ppm1      0.585 ppm2      7.205 CV     1
  ASSI {  599}
    (  segid "    " and resid 54   and name HG1%)
    (  segid "    " and resid 16   and name HE% )
       4.700     2.700     1.300 peak   599 spectrum    1 weight  0.10000E+01 volume  0.15674E-03 ppm1      0.586 ppm2      7.090 CV     1
  ASSI {  600}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 54   and name HN  ))
       2.800     1.000     1.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.84459E-02 ppm1      0.582 ppm2      8.327 CV     1
  ASSI {  601}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 54   and name HN  ))
       2.900     1.000     1.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.23906E-02 ppm1      0.526 ppm2      8.327 CV     1
  ASSI {  602}
    (( segid "    " and resid 59   and name HD2 ))
    (( segid "    " and resid 62   and name HN  ))
       4.800     2.900     1.200 peak   602 spectrum    1 weight  0.10000E+01 volume  0.17027E-03 ppm1      6.796 ppm2      7.092 CV     1
  ASSI {  604}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 80   and name HD22))
       2.600     2.600     3.400 peak   604 spectrum    1 weight  0.10000E+01 volume  0.15900E-02 ppm1      0.525 ppm2      6.694 CV     1
  ASSI {  605}
    (  segid "    " and resid 87   and name HG1%)
    (( segid "    " and resid 87   and name HN  ))
       3.300     1.300     1.300 peak   605 spectrum    1 weight  0.10000E+01 volume  0.20410E-02 ppm1      0.519 ppm2      8.703 CV     1
  ASSI {  606}
    (  segid "    " and resid 87   and name HG1%)
    (( segid "    " and resid 88   and name HN  ))
       3.400     1.500     1.500 peak   606 spectrum    1 weight  0.10000E+01 volume  0.10453E-02 ppm1      0.520 ppm2      8.579 CV     1
  ASSI {  607}
    (  segid "    " and resid 83   and name HG2%)
    (  segid "    " and resid 85   and name HE% )
       3.000     1.100     1.100 peak   607 spectrum    1 weight  0.10000E+01 volume  0.17027E-02 ppm1      0.516 ppm2      7.251 CV     1
  ASSI {  611}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 85   and name HZ  ))
       3.300     1.400     1.400 peak   611 spectrum    1 weight  0.10000E+01 volume  0.14096E-02 ppm1      0.513 ppm2      7.301 CV     1
  ASSI {  612}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 83   and name HN  ))
       4.300     2.300     1.700 peak   612 spectrum    1 weight  0.10000E+01 volume  0.48939E-03 ppm1      0.506 ppm2      7.662 CV     1
  ASSI {  620}
    (( segid "    " and resid 88   and name HG11))
    (( segid "    " and resid 15   and name HE1 ))
       4.100     2.100     1.900 peak   620 spectrum    1 weight  0.10000E+01 volume  0.61567E-03 ppm1      0.358 ppm2      8.528 CV     1
  OR {  620}
    (( segid "    " and resid 88   and name HG12))
    (( segid "    " and resid 15   and name HE1 ))
  ASSI {  622}
    (  segid "    " and resid 62   and name HD2%)
    (( segid "    " and resid 67   and name HN  ))
       4.300     2.300     1.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.40144E-03 ppm1      0.295 ppm2      7.641 CV     1
  ASSI {  625}
    (  segid "    " and resid 87   and name HG2%)
    (( segid "    " and resid 87   and name HN  ))
       3.300     1.400     1.400 peak   625 spectrum    1 weight  0.10000E+01 volume  0.12404E-02 ppm1      0.234 ppm2      8.718 CV     1
  ASSI {  628}
    (  segid "    " and resid 87   and name HG2%)
    (  segid "    " and resid 16   and name HD% )
       2.900     1.100     1.100 peak   628 spectrum    1 weight  0.10000E+01 volume  0.31236E-02 ppm1      0.234 ppm2      7.006 CV     1
  ASSI {  629}
    (  segid "    " and resid 87   and name HG2%)
    (  segid "    " and resid 89   and name HE% )
       3.200     1.300     1.300 peak   629 spectrum    1 weight  0.10000E+01 volume  0.18719E-02 ppm1      0.235 ppm2      6.917 CV     1
  ASSI {  630}
    (  segid "    " and resid 87   and name HG2%)
    (( segid "    " and resid 71   and name HN  ))
       4.300     2.300     1.700 peak   630 spectrum    1 weight  0.10000E+01 volume  0.38565E-03 ppm1      0.227 ppm2      8.910 CV     1
  ASSI {  632}
    (( segid "    " and resid 88   and name HB  ))
    (( segid "    " and resid 88   and name HN  ))
       2.600     0.800     0.800 peak   632 spectrum    1 weight  0.10000E+01 volume  0.33716E-02 ppm1      0.146 ppm2      8.578 CV     1
  ASSI {  633}
    (( segid "    " and resid 88   and name HB  ))
    (( segid "    " and resid 15   and name HE1 ))
       1.800     1.800     4.200 peak   633 spectrum    1 weight  0.10000E+01 volume  0.70142E-01 ppm1      0.146 ppm2      8.515 CV     1
  ASSI {  634}
    (  segid "    " and resid 14   and name HG2%)
    (  segid "    " and resid 16   and name HE% )
       2.700     0.900     0.900 peak   634 spectrum    1 weight  0.10000E+01 volume  0.24470E-02 ppm1      0.137 ppm2      7.089 CV     1
  ASSI {  635}
    (  segid "    " and resid 14   and name HG2%)
    (  segid "    " and resid 16   and name HD% )
       3.900     1.900     1.900 peak   635 spectrum    1 weight  0.10000E+01 volume  0.39580E-03 ppm1      0.135 ppm2      6.999 CV     1
  ASSI {  637}
    (  segid "    " and resid 14   and name HG2%)
    (( segid "    " and resid 16   and name HZ  ))
       3.400     1.400     1.400 peak   637 spectrum    1 weight  0.10000E+01 volume  0.10408E-02 ppm1      0.135 ppm2      7.207 CV     1
  ASSI {  639}
    (( segid "    " and resid 35   and name HB1 ))
    (( segid "    " and resid 32   and name HB2 ))
       4.500     2.600     1.500 peak   639 spectrum    1 weight  0.10000E+01 volume  0.20298E-03 ppm1      2.629 ppm2      0.890 CV     1
  ASSI {  641}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
       2.800     1.000     1.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.21312E-02 ppm1      7.096 ppm2      8.940 CV     1
  ASSI {  643}
    (  segid "    " and resid 16   and name HE% )
    (( segid "    " and resid 16   and name HZ  ))
       2.300     0.700     0.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.59428E-02 ppm1      7.092 ppm2      7.209 CV     1
  ASSI {  646}
    (  segid "    " and resid 26   and name HD% )
    (( segid "    " and resid 26   and name HN  ))
       2.800     1.000     1.000 peak   646 spectrum    1 weight  0.10000E+01 volume  0.23567E-02 ppm1      7.059 ppm2      7.255 CV     1
  ASSI {  647}
    (( segid "    " and resid 65   and name HD22))
    (( segid "    " and resid 65   and name HD21))
       1.800     0.400     0.400 peak   647 spectrum    1 weight  0.10000E+01 volume  0.10464E-01 ppm1      7.040 ppm2      7.714 CV     1
  ASSI {  648}
    (( segid "    " and resid 34   and name HD22))
    (( segid "    " and resid 34   and name HD21))
       1.700     0.300     0.500 peak   648 spectrum    1 weight  0.10000E+01 volume  0.23567E-01 ppm1      7.030 ppm2      7.578 CV     1
  ASSI {  652}
    (  segid "    " and resid 16   and name HD% )
    (( segid "    " and resid 16   and name HZ  ))
       6.000     5.700     0.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.31687E-04 ppm1      6.992 ppm2      7.209 CV     1
  ASSI {  659}
    (  segid "    " and resid 89   and name HE% )
    (( segid "    " and resid 70   and name HN  ))
       2.900     2.900     3.100 peak   659 spectrum    1 weight  0.10000E+01 volume  0.11502E-02 ppm1      6.882 ppm2      7.585 CV     1
  ASSI {  662}
    (( segid "    " and resid 59   and name HD2 ))
    (( segid "    " and resid 63   and name HN  ))
       3.100     1.200     1.200 peak   662 spectrum    1 weight  0.10000E+01 volume  0.15336E-02 ppm1      6.872 ppm2      7.578 CV     1
  ASSI {  663}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 26   and name HN  ))
       2.900     1.100     1.100 peak   663 spectrum    1 weight  0.10000E+01 volume  0.17591E-02 ppm1      6.843 ppm2      7.251 CV     1
  ASSI {  664}
    (( segid "    " and resid 59   and name HD2 ))
    (( segid "    " and resid 60   and name HN  ))
       4.100     2.100     1.900 peak   664 spectrum    1 weight  0.10000E+01 volume  0.38565E-03 ppm1      6.830 ppm2      8.594 CV     1
  ASSI {  666}
    (( segid "    " and resid 53   and name HH2 ))
    (( segid "    " and resid 53   and name HZ2 ))
       2.500     0.800     0.800 peak   666 spectrum    1 weight  0.10000E+01 volume  0.41835E-02 ppm1      6.797 ppm2      7.498 CV     1
  ASSI {  669}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 59   and name HE1 ))
       4.000     2.000     2.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.38678E-03 ppm1      6.707 ppm2      7.992 CV     1
  ASSI {  677}
    (( segid "    " and resid 84   and name HE22))
    (( segid "    " and resid 84   and name HE21))
       1.800     0.400     0.400 peak   677 spectrum    1 weight  0.10000E+01 volume  0.12629E-01 ppm1      6.478 ppm2      8.211 CV     1
  ASSI {  681}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       3.000     1.100     1.100 peak   681 spectrum    1 weight  0.10000E+01 volume  0.15787E-02 ppm1      7.573 ppm2      8.030 CV     1
  ASSI {  688}
    (( segid "    " and resid 53   and name HZ2 ))
    (( segid "    " and resid 54   and name HN  ))
       5.300     3.500     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.93143E-04 ppm1      7.485 ppm2      8.326 CV     1
  ASSI {  694}
    (  segid "    " and resid 85   and name HD% )
    (( segid "    " and resid 86   and name HN  ))
       4.400     2.400     1.600 peak   694 spectrum    1 weight  0.10000E+01 volume  0.38453E-03 ppm1      7.173 ppm2      9.320 CV     1
  ASSI {  695}
    (  segid "    " and resid 85   and name HD% )
    (( segid "    " and resid 85   and name HN  ))
       3.100     3.100     2.900 peak   695 spectrum    1 weight  0.10000E+01 volume  0.12855E-02 ppm1      7.177 ppm2      9.225 CV     1
  ASSI {  697}
    (( segid "    " and resid 53   and name HD1 ))
    (( segid "    " and resid 53   and name HE1 ))
       2.700     0.900     0.900 peak   697 spectrum    1 weight  0.10000E+01 volume  0.28416E-02 ppm1      7.137 ppm2     10.312 CV     1
  ASSI {  700}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 86   and name HN  ))
       4.600     2.600     1.400 peak   700 spectrum    1 weight  0.10000E+01 volume  0.18268E-03 ppm1      8.585 ppm2      9.322 CV     1
  ASSI {  706}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 57   and name HN  ))
       3.500     1.600     1.600 peak   706 spectrum    1 weight  0.10000E+01 volume  0.84459E-03 ppm1      8.130 ppm2      8.485 CV     1
  ASSI {  708}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 47   and name HN  ))
       3.200     1.300     1.300 peak   708 spectrum    1 weight  0.10000E+01 volume  0.98666E-03 ppm1      8.027 ppm2      8.487 CV     1
  ASSI {  714}
    (  segid "    " and resid 68   and name HD1%)
    (( segid "    " and resid 65   and name HN  ))
       3.600     1.600     1.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.20974E-03 ppm1      0.906 ppm2      7.458 CV     1
  ASSI {  715}
    (  segid "    " and resid 14   and name HD1%)
    (( segid "    " and resid 53   and name HH2 ))
       4.200     2.200     1.800 peak   715 spectrum    1 weight  0.10000E+01 volume  0.39693E-03 ppm1      0.830 ppm2      6.779 CV     1
  ASSI {  720}
    (  segid "    " and resid 87   and name HG1%)
    (  segid "    " and resid 16   and name HD% )
       3.700     1.700     1.700 peak   720 spectrum    1 weight  0.10000E+01 volume  0.49165E-03 ppm1      0.554 ppm2      7.029 CV     1
  ASSI {  722}
    (  segid "    " and resid 62   and name HD1%)
    (( segid "    " and resid 67   and name HN  ))
       4.500     2.500     1.500 peak   722 spectrum    1 weight  0.10000E+01 volume  0.30108E-03 ppm1      0.387 ppm2      7.638 CV     1
  ASSI {  723}
    (  segid "    " and resid 62   and name HD2%)
    (( segid "    " and resid 63   and name HN  ))
       4.400     2.400     1.600 peak   723 spectrum    1 weight  0.10000E+01 volume  0.26274E-03 ppm1      0.293 ppm2      7.582 CV     1
  ASSI {  725}
    (( segid "    " and resid 89   and name HA  ))
    (( segid "    " and resid 89   and name HB1 ))
       2.700     0.900     0.900 peak   725 spectrum    1 weight  0.10000E+01 volume  0.21199E-02 ppm1      5.669 ppm2      2.914 CV     1
  ASSI {  726}
    (( segid "    " and resid 89   and name HA  ))
    (( segid "    " and resid 89   and name HB2 ))
       3.000     1.100     1.100 peak   726 spectrum    1 weight  0.10000E+01 volume  0.24921E-02 ppm1      5.671 ppm2      2.802 CV     1
  ASSI {  729}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HB1 ))
       2.600     0.800     0.800 peak   729 spectrum    1 weight  0.10000E+01 volume  0.27289E-02 ppm1      5.584 ppm2      2.873 CV     1
  ASSI {  730}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HB2 ))
       3.400     1.400     1.400 peak   730 spectrum    1 weight  0.10000E+01 volume  0.10307E-02 ppm1      5.582 ppm2      2.662 CV     1
  ASSI {  731}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 72   and name HB1 ))
       3.100     1.200     1.200 peak   731 spectrum    1 weight  0.10000E+01 volume  0.89988E-03 ppm1      5.403 ppm2      2.789 CV     1
  ASSI {  732}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 72   and name HB2 ))
       3.000     1.100     1.100 peak   732 spectrum    1 weight  0.10000E+01 volume  0.23117E-02 ppm1      5.402 ppm2      2.647 CV     1
  ASSI {  735}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 74   and name HB2 ))
       3.100     1.200     1.200 peak   735 spectrum    1 weight  0.10000E+01 volume  0.10137E-02 ppm1      5.337 ppm2      1.792 CV     1
  ASSI {  738}
    (( segid "    " and resid 85   and name HA  ))
    (( segid "    " and resid 85   and name HB2 ))
       2.900     1.100     1.100 peak   738 spectrum    1 weight  0.10000E+01 volume  0.27627E-02 ppm1      5.270 ppm2      2.767 CV     1
  ASSI {  740}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 15   and name HB1 ))
       2.800     1.000     1.000 peak   740 spectrum    1 weight  0.10000E+01 volume  0.17027E-02 ppm1      5.243 ppm2      3.408 CV     1
  ASSI {  741}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 15   and name HB2 ))
       3.500     1.500     1.500 peak   741 spectrum    1 weight  0.10000E+01 volume  0.10453E-02 ppm1      5.245 ppm2      2.816 CV     1
  ASSI {  743}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 88   and name HB  ))
       2.900     1.100     1.100 peak   743 spectrum    1 weight  0.10000E+01 volume  0.15900E-02 ppm1      5.246 ppm2      0.144 CV     1
  ASSI {  744}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 41   and name HB1 ))
       3.000     1.100     1.100 peak   744 spectrum    1 weight  0.10000E+01 volume  0.21312E-02 ppm1      5.115 ppm2      2.936 CV     1
  ASSI {  745}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 41   and name HB2 ))
       3.300     1.400     1.400 peak   745 spectrum    1 weight  0.10000E+01 volume  0.10544E-02 ppm1      5.114 ppm2      2.612 CV     1
  ASSI {  747}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 86   and name HB1 ))
       3.500     1.600     1.600 peak   747 spectrum    1 weight  0.10000E+01 volume  0.76453E-03 ppm1      5.079 ppm2      3.126 CV     1
  ASSI {  748}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 13   and name HB1 ))
       3.400     1.500     1.500 peak   748 spectrum    1 weight  0.10000E+01 volume  0.54239E-03 ppm1      5.078 ppm2      2.094 CV     1
  ASSI {  751}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 48   and name HB2 ))
       3.700     1.700     1.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.42174E-03 ppm1      5.010 ppm2      2.183 CV     1
  ASSI {  752}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 11   and name HB1 ))
       2.100     2.100     3.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.11953E-01 ppm1      5.007 ppm2      2.534 CV     1
  ASSI {  753}
    (( segid "    " and resid 11   and name HA  ))
    (  segid "    " and resid 12   and name HG2%)
       3.600     1.600     1.600 peak   753 spectrum    1 weight  0.10000E+01 volume  0.93591E-03 ppm1      5.005 ppm2      0.807 CV     1
  ASSI {  754}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 49   and name HD1 ))
       3.300     1.400     1.400 peak   754 spectrum    1 weight  0.10000E+01 volume  0.16125E-02 ppm1      4.996 ppm2      3.917 CV     1
  ASSI {  761}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 73   and name HB2 ))
       3.200     1.300     1.300 peak   761 spectrum    1 weight  0.10000E+01 volume  0.13081E-02 ppm1      4.999 ppm2      1.696 CV     1
  ASSI {  762}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 73   and name HG  ))
       3.400     1.500     1.500 peak   762 spectrum    1 weight  0.10000E+01 volume  0.68900E-03 ppm1      4.998 ppm2      1.443 CV     1
  ASSI {  764}
    (( segid "    " and resid 70   and name HA  ))
    (( segid "    " and resid 70   and name HB1 ))
       2.800     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.26612E-02 ppm1      4.952 ppm2      2.044 CV     1
  ASSI {  765}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 66   and name HD1 ))
       2.500     0.800     0.800 peak   765 spectrum    1 weight  0.10000E+01 volume  0.59199E-02 ppm1      4.946 ppm2      3.742 CV     1
  ASSI {  766}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 66   and name HD2 ))
       2.300     0.600     0.600 peak   766 spectrum    1 weight  0.10000E+01 volume  0.69573E-02 ppm1      4.944 ppm2      3.457 CV     1
  ASSI {  769}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 66   and name HG2 ))
       4.200     2.200     1.800 peak   769 spectrum    1 weight  0.10000E+01 volume  0.98666E-03 ppm1      4.948 ppm2      1.915 CV     1
  ASSI {  770}
    (( segid "    " and resid 69   and name HA  ))
    (( segid "    " and resid 69   and name HB2 ))
       3.700     1.700     1.700 peak   770 spectrum    1 weight  0.10000E+01 volume  0.45895E-03 ppm1      4.943 ppm2      1.706 CV     1
  ASSI {  771}
    (( segid "    " and resid 70   and name HA  ))
    (( segid "    " and resid 70   and name HB2 ))
       2.700     0.900     0.900 peak   771 spectrum    1 weight  0.10000E+01 volume  0.24244E-02 ppm1      4.948 ppm2      1.596 CV     1
  ASSI {  773}
    (( segid "    " and resid 69   and name HA  ))
    (( segid "    " and resid 89   and name HB1 ))
       4.000     2.000     2.000 peak   773 spectrum    1 weight  0.10000E+01 volume  0.12066E-02 ppm1      4.937 ppm2      2.917 CV     1
  ASSI {  775}
    (( segid "    " and resid 69   and name HA  ))
    (( segid "    " and resid 69   and name HB1 ))
       2.900     1.100     1.100 peak   775 spectrum    1 weight  0.10000E+01 volume  0.18831E-02 ppm1      4.937 ppm2      2.390 CV     1
  ASSI {  779}
    (( segid "    " and resid 66   and name HA  ))
    (  segid "    " and resid 62   and name HD1%)
       3.500     1.500     1.500 peak   779 spectrum    1 weight  0.10000E+01 volume  0.77809E-03 ppm1      4.597 ppm2      0.390 CV     1
  ASSI {  780}
    (( segid "    " and resid 66   and name HA  ))
    (  segid "    " and resid 62   and name HD2%)
       2.800     1.000     1.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.28191E-02 ppm1      4.597 ppm2      0.293 CV     1
  ASSI {  781}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 45   and name HB1 ))
       3.400     3.400     2.600 peak   781 spectrum    1 weight  0.10000E+01 volume  0.10837E-02 ppm1      4.535 ppm2      1.169 CV     1
  ASSI {  783}
    (( segid "    " and resid 71   and name HA  ))
    (  segid "    " and resid 71   and name HG2%)
       4.800     2.900     1.200 peak   783 spectrum    1 weight  0.10000E+01 volume  0.14321E-03 ppm1      4.444 ppm2      0.753 CV     1
  ASSI {  785}
    (( segid "    " and resid 76   and name HA  ))
    (  segid "    " and resid 77   and name HB% )
       3.800     1.800     1.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.54239E-03 ppm1      4.410 ppm2      1.434 CV     1
  ASSI {  788}
    (( segid "    " and resid 83   and name HA  ))
    (  segid "    " and resid 83   and name HG2%)
       3.400     1.500     1.500 peak   788 spectrum    1 weight  0.10000E+01 volume  0.80286E-03 ppm1      4.374 ppm2      0.508 CV     1
  ASSI {  789}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 14   and name HG2%)
       2.700     0.900     0.900 peak   789 spectrum    1 weight  0.10000E+01 volume  0.28191E-02 ppm1      4.368 ppm2      0.138 CV     1
  ASSI {  790}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HB  ))
       2.500     0.800     0.800 peak   790 spectrum    1 weight  0.10000E+01 volume  0.50518E-02 ppm1      4.363 ppm2      1.277 CV     1
  ASSI {  792}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 20   and name HG1 ))
       3.600     1.600     1.600 peak   792 spectrum    1 weight  0.10000E+01 volume  0.65176E-03 ppm1      4.334 ppm2      1.616 CV     1
  ASSI {  793}
    (( segid "    " and resid 20   and name HA  ))
    (  segid "    " and resid 23   and name HB% )
       3.400     1.500     1.500 peak   793 spectrum    1 weight  0.10000E+01 volume  0.90097E-03 ppm1      4.333 ppm2      1.552 CV     1
  ASSI {  794}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 28   and name HB2 ))
       3.000     1.100     1.100 peak   794 spectrum    1 weight  0.10000E+01 volume  0.20636E-02 ppm1      4.331 ppm2      1.702 CV     1
  ASSI {  796}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 21   and name HB  ))
       1.900     0.500     0.500 peak   796 spectrum    1 weight  0.10000E+01 volume  0.19621E-01 ppm1      4.309 ppm2      1.284 CV     1
  ASSI {  797}
    (( segid "    " and resid 21   and name HA  ))
    (  segid "    " and resid 55   and name HG2%)
       3.100     1.200     1.200 peak   797 spectrum    1 weight  0.10000E+01 volume  0.24582E-02 ppm1      4.310 ppm2      0.846 CV     1
  ASSI {  798}
    (( segid "    " and resid 23   and name HA  ))
    (  segid "    " and resid 23   and name HB% )
       2.300     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.82091E-02 ppm1      4.246 ppm2      1.551 CV     1
  ASSI {  799}
    (( segid "    " and resid 87   and name HA  ))
    (( segid "    " and resid 14   and name HB  ))
       2.900     1.000     1.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.16238E-02 ppm1      4.218 ppm2      1.268 CV     1
  ASSI {  800}
    (( segid "    " and resid 87   and name HA  ))
    (  segid "    " and resid 14   and name HD1%)
       3.400     1.400     1.400 peak   800 spectrum    1 weight  0.10000E+01 volume  0.19734E-02 ppm1      4.221 ppm2      0.847 CV     1
  ASSI {  801}
    (( segid "    " and resid 87   and name HA  ))
    (  segid "    " and resid 87   and name HG1%)
       2.800     1.000     1.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.27627E-02 ppm1      4.217 ppm2      0.519 CV     1
  ASSI {  802}
    (( segid "    " and resid 87   and name HA  ))
    (( segid "    " and resid 88   and name HB  ))
       4.100     2.100     1.900 peak   802 spectrum    1 weight  0.10000E+01 volume  0.72619E-03 ppm1      4.217 ppm2      0.140 CV     1
  ASSI {  804}
    (( segid "    " and resid 87   and name HA  ))
    (( segid "    " and resid 87   and name HB  ))
       3.100     1.200     1.200 peak   804 spectrum    1 weight  0.10000E+01 volume  0.12968E-02 ppm1      4.205 ppm2      1.673 CV     1
  ASSI {  805}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 68   and name HG12))
       3.500     1.500     1.500 peak   805 spectrum    1 weight  0.10000E+01 volume  0.11728E-02 ppm1      4.203 ppm2      1.485 CV     1
  ASSI {  807}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 67   and name HB2 ))
       3.000     3.000     3.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.19283E-02 ppm1      4.200 ppm2      1.813 CV     1
  ASSI {  809}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 44   and name HB1 ))
       2.700     0.900     0.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.41384E-02 ppm1      4.150 ppm2      1.726 CV     1
  ASSI {  810}
    (( segid "    " and resid 68   and name HA  ))
    (  segid "    " and resid 68   and name HG2%)
       2.500     0.800     0.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.46684E-02 ppm1      4.154 ppm2      1.032 CV     1
  ASSI {  815}
    (( segid "    " and resid 42   and name HB  ))
    (  segid "    " and resid 42   and name HG2%)
       2.600     0.800     0.800 peak   815 spectrum    1 weight  0.10000E+01 volume  0.45105E-02 ppm1      4.141 ppm2      1.169 CV     1
  ASSI {  816}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 50   and name HG  ))
       3.200     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.16125E-02 ppm1      4.138 ppm2      1.561 CV     1
  ASSI {  818}
    (( segid "    " and resid 77   and name HA  ))
    (  segid "    " and resid 77   and name HB% )
       2.600     0.800     0.800 peak   818 spectrum    1 weight  0.10000E+01 volume  0.41948E-02 ppm1      4.112 ppm2      1.450 CV     1
  ASSI {  819}
    (( segid "    " and resid 12   and name HA  ))
    (  segid "    " and resid 12   and name HG1%)
       3.700     1.700     1.700 peak   819 spectrum    1 weight  0.10000E+01 volume  0.52774E-03 ppm1      4.094 ppm2      0.942 CV     1
  ASSI {  820}
    (( segid "    " and resid 12   and name HA  ))
    (  segid "    " and resid 12   and name HG2%)
       3.000     1.100     1.100 peak   820 spectrum    1 weight  0.10000E+01 volume  0.20748E-02 ppm1      4.093 ppm2      0.806 CV     1
  ASSI {  822}
    (( segid "    " and resid 52   and name HA  ))
    (  segid "    " and resid 52   and name HB% )
       2.300     0.700     0.700 peak   822 spectrum    1 weight  0.10000E+01 volume  0.87166E-02 ppm1      4.061 ppm2      1.551 CV     1
  ASSI {  823}
    (( segid "    " and resid 22   and name HA  ))
    (  segid "    " and resid 22   and name HB% )
       2.200     0.600     0.600 peak   823 spectrum    1 weight  0.10000E+01 volume  0.98327E-02 ppm1      4.064 ppm2      1.263 CV     1
  ASSI {  824}
    (( segid "    " and resid 39   and name HA  ))
    (  segid "    " and resid 39   and name HG1%)
       3.400     1.500     1.500 peak   824 spectrum    1 weight  0.10000E+01 volume  0.10183E-02 ppm1      4.062 ppm2      1.126 CV     1
  ASSI {  828}
    (( segid "    " and resid 64   and name HA  ))
    (( segid "    " and resid 64   and name HB1 ))
       2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.87390E-02 ppm1      4.053 ppm2      1.857 CV     1
  ASSI {  829}
    (( segid "    " and resid 47   and name HA1 ))
    (( segid "    " and resid 43   and name HG2 ))
       2.900     1.000     1.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.43301E-02 ppm1      4.051 ppm2      1.804 CV     1
  ASSI {  830}
    (( segid "    " and resid 61   and name HA  ))
    (  segid "    " and resid 61   and name HB% )
       2.200     0.600     0.600 peak   830 spectrum    1 weight  0.10000E+01 volume  0.10611E-01 ppm1      4.045 ppm2      1.481 CV     1
  ASSI {  834}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 68   and name HG12))
       3.400     1.500     1.500 peak   834 spectrum    1 weight  0.10000E+01 volume  0.83108E-03 ppm1      3.959 ppm2      1.488 CV     1
  ASSI {  836}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 32   and name HB2 ))
       2.100     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.97430E-02 ppm1      3.965 ppm2      0.921 CV     1
  ASSI {  838}
    (( segid "    " and resid 62   and name HA  ))
    (  segid "    " and resid 68   and name HG2%)
       3.900     1.900     1.900 peak   838 spectrum    1 weight  0.10000E+01 volume  0.11953E-02 ppm1      3.957 ppm2      1.040 CV     1
  ASSI {  839}
    (( segid "    " and resid 62   and name HA  ))
    (  segid "    " and resid 62   and name HD1%)
       3.000     1.200     1.200 peak   839 spectrum    1 weight  0.10000E+01 volume  0.22666E-02 ppm1      3.958 ppm2      0.390 CV     1
  ASSI {  842}
    (( segid "    " and resid 32   and name HA  ))
    (  segid "    " and resid 32   and name HD1%)
       2.600     0.800     0.800 peak   842 spectrum    1 weight  0.10000E+01 volume  0.42963E-02 ppm1      3.939 ppm2      0.485 CV     1
  ASSI {  845}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 33   and name HG  ))
       2.600     0.900     0.900 peak   845 spectrum    1 weight  0.10000E+01 volume  0.51646E-02 ppm1      3.909 ppm2      1.517 CV     1
  ASSI {  846}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 18   and name HG  ))
       2.900     2.900     3.100 peak   846 spectrum    1 weight  0.10000E+01 volume  0.25485E-02 ppm1      3.906 ppm2      1.396 CV     1
  ASSI {  848}
    (( segid "    " and resid 75   and name HD2 ))
    (  segid "    " and resid 83   and name HG1%)
       2.700     0.900     0.900 peak   848 spectrum    1 weight  0.10000E+01 volume  0.25597E-02 ppm1      3.904 ppm2      0.709 CV     1
  ASSI {  851}
    (( segid "    " and resid 19   and name HA  ))
    (  segid "    " and resid 22   and name HB% )
       3.400     1.400     1.400 peak   851 spectrum    1 weight  0.10000E+01 volume  0.92241E-03 ppm1      3.901 ppm2      1.265 CV     1
  ASSI {  852}
    (( segid "    " and resid 75   and name HD2 ))
    (( segid "    " and resid 74   and name HG1 ))
       2.700     0.900     0.900 peak   852 spectrum    1 weight  0.10000E+01 volume  0.31687E-02 ppm1      3.881 ppm2      1.501 CV     1
  OR {  852}
    (( segid "    " and resid 75   and name HD2 ))
    (( segid "    " and resid 74   and name HG2 ))
  ASSI {  854}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 51   and name HB2 ))
       2.700     0.900     0.900 peak   854 spectrum    1 weight  0.10000E+01 volume  0.21876E-02 ppm1      3.815 ppm2      1.598 CV     1
  ASSI {  856}
    (( segid "    " and resid 88   and name HA  ))
    (( segid "    " and resid 88   and name HG11))
       2.400     0.700     0.700 peak   856 spectrum    1 weight  0.10000E+01 volume  0.51307E-02 ppm1      3.780 ppm2      0.354 CV     1
  OR {  856}
    (( segid "    " and resid 88   and name HA  ))
    (( segid "    " and resid 88   and name HG12))
  ASSI {  857}
    (( segid "    " and resid 88   and name HA  ))
    (( segid "    " and resid 88   and name HB  ))
       3.500     1.500     1.500 peak   857 spectrum    1 weight  0.10000E+01 volume  0.58072E-03 ppm1      3.777 ppm2      0.144 CV     1
  ASSI {  859}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 18   and name HB1 ))
       2.600     0.900     0.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.58072E-02 ppm1      3.750 ppm2      1.783 CV     1
  ASSI {  861}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 18   and name HG  ))
       2.900     1.100     1.100 peak   861 spectrum    1 weight  0.10000E+01 volume  0.19395E-02 ppm1      3.731 ppm2      1.408 CV     1
  ASSI {  862}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 18   and name HB2 ))
       2.400     0.700     0.700 peak   862 spectrum    1 weight  0.10000E+01 volume  0.46459E-02 ppm1      3.729 ppm2      1.302 CV     1
  ASSI {  863}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 21   and name HG11))
       4.200     2.200     1.800 peak   863 spectrum    1 weight  0.10000E+01 volume  0.66078E-03 ppm1      3.731 ppm2      1.029 CV     1
  ASSI {  864}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 45   and name HB2 ))
       3.900     1.900     1.900 peak   864 spectrum    1 weight  0.10000E+01 volume  0.14208E-02 ppm1      3.729 ppm2      0.793 CV     1
  ASSI {  865}
    (( segid "    " and resid 18   and name HA  ))
    (  segid "    " and resid 21   and name HG2%)
       2.200     0.600     0.600 peak   865 spectrum    1 weight  0.10000E+01 volume  0.92465E-02 ppm1      3.729 ppm2      0.707 CV     1
  ASSI {  866}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 63   and name HB1 ))
       2.400     0.700     0.700 peak   866 spectrum    1 weight  0.10000E+01 volume  0.51307E-02 ppm1      3.696 ppm2      1.787 CV     1
  ASSI {  867}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 62   and name HB2 ))
       3.100     1.200     1.200 peak   867 spectrum    1 weight  0.10000E+01 volume  0.27402E-02 ppm1      3.688 ppm2      1.153 CV     1
  ASSI {  869}
    (( segid "    " and resid 47   and name HA2 ))
    (( segid "    " and resid 50   and name HG  ))
       3.100     1.200     1.200 peak   869 spectrum    1 weight  0.10000E+01 volume  0.20861E-02 ppm1      3.628 ppm2      1.551 CV     1
  ASSI {  870}
    (( segid "    " and resid 43   and name HD1 ))
    (( segid "    " and resid 43   and name HG2 ))
       2.800     1.000     1.000 peak   870 spectrum    1 weight  0.10000E+01 volume  0.40257E-02 ppm1      3.577 ppm2      1.797 CV     1
  ASSI {  872}
    (( segid "    " and resid 43   and name HD2 ))
    (( segid "    " and resid 43   and name HG2 ))
       3.000     1.100     1.100 peak   872 spectrum    1 weight  0.10000E+01 volume  0.10295E-02 ppm1      3.511 ppm2      1.792 CV     1
  ASSI {  873}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 62   and name HB2 ))
       4.500     2.500     1.500 peak   873 spectrum    1 weight  0.10000E+01 volume  0.22553E-03 ppm1      3.494 ppm2      1.184 CV     1
  ASSI {  874}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 21   and name HG11))
       2.700     0.900     0.900 peak   874 spectrum    1 weight  0.10000E+01 volume  0.26500E-02 ppm1      3.496 ppm2      0.993 CV     1
  ASSI {  875}
    (( segid "    " and resid 17   and name HD2 ))
    (  segid "    " and resid 31   and name HD1%)
       3.900     1.900     1.900 peak   875 spectrum    1 weight  0.10000E+01 volume  0.80062E-03 ppm1      3.450 ppm2      0.838 CV     1
  ASSI {  877}
    (( segid "    " and resid 17   and name HD2 ))
    (  segid "    " and resid 32   and name HD1%)
       3.100     1.200     1.200 peak   877 spectrum    1 weight  0.10000E+01 volume  0.10735E-02 ppm1      3.421 ppm2      0.485 CV     1
  ASSI {  878}
    (( segid "    " and resid 17   and name HD2 ))
    (( segid "    " and resid 32   and name HB2 ))
       2.800     2.800     3.200 peak   878 spectrum    1 weight  0.10000E+01 volume  0.14885E-02 ppm1      3.410 ppm2      0.891 CV     1
  ASSI {  879}
    (( segid "    " and resid 55   and name HA  ))
    (  segid "    " and resid 58   and name HB% )
       3.200     1.200     1.200 peak   879 spectrum    1 weight  0.10000E+01 volume  0.10780E-02 ppm1      3.321 ppm2      1.590 CV     1
  ASSI {  882}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 55   and name HB  ))
       3.600     1.600     1.600 peak   882 spectrum    1 weight  0.10000E+01 volume  0.59199E-03 ppm1      3.312 ppm2      1.713 CV     1
  ASSI {  883}
    (( segid "    " and resid 76   and name HD1 ))
    (( segid "    " and resid 76   and name HB2 ))
       3.400     1.400     1.400 peak   883 spectrum    1 weight  0.10000E+01 volume  0.10859E-02 ppm1      3.246 ppm2      1.776 CV     1
  ASSI {  884}
    (( segid "    " and resid 76   and name HD1 ))
    (( segid "    " and resid 76   and name HG1 ))
       2.800     1.000     1.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.21989E-02 ppm1      3.246 ppm2      1.701 CV     1
  ASSI {  887}
    (( segid "    " and resid 20   and name HD1 ))
    (( segid "    " and resid 20   and name HB2 ))
       3.100     1.200     1.200 peak   887 spectrum    1 weight  0.10000E+01 volume  0.12855E-02 ppm1      3.129 ppm2      1.696 CV     1
  ASSI {  889}
    (( segid "    " and resid 65   and name HB1 ))
    (  segid "    " and resid 68   and name HG2%)
       3.600     1.600     1.600 peak   889 spectrum    1 weight  0.10000E+01 volume  0.23342E-02 ppm1      3.026 ppm2      1.039 CV     1
  ASSI {  891}
    (( segid "    " and resid 74   and name HE1 ))
    (( segid "    " and resid 74   and name HD1 ))
       3.200     1.300     1.300 peak   891 spectrum    1 weight  0.10000E+01 volume  0.14321E-02 ppm1      3.018 ppm2      1.724 CV     1
  ASSI {  892}
    (( segid "    " and resid 29   and name HB1 ))
    (( segid "    " and resid 32   and name HG  ))
       4.200     2.200     1.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.35859E-03 ppm1      3.017 ppm2      1.544 CV     1
  ASSI {  896}
    (( segid "    " and resid 67   and name HE1 ))
    (( segid "    " and resid 67   and name HG1 ))
       3.100     1.200     1.200 peak   896 spectrum    1 weight  0.10000E+01 volume  0.12517E-02 ppm1      2.977 ppm2      1.396 CV     1
  ASSI {  900}
    (( segid "    " and resid 80   and name HB1 ))
    (  segid "    " and resid 83   and name HG1%)
       2.900     1.100     1.100 peak   900 spectrum    1 weight  0.10000E+01 volume  0.18719E-02 ppm1      2.894 ppm2      0.710 CV     1
  ASSI {  901}
    (( segid "    " and resid 16   and name HB1 ))
    (  segid "    " and resid 87   and name HG1%)
       5.500     3.800     0.500 peak   901 spectrum    1 weight  0.10000E+01 volume  0.11728E-03 ppm1      2.888 ppm2      0.561 CV     1
  ASSI {  904}
    (( segid "    " and resid 54   and name HA  ))
    (  segid "    " and resid 54   and name HG2%)
       2.700     0.900     0.900 peak   904 spectrum    1 weight  0.10000E+01 volume  0.29544E-02 ppm1      2.842 ppm2      0.524 CV     1
  ASSI {  908}
    (( segid "    " and resid 66   and name HA  ))
    (( segid "    " and resid 66   and name HG1 ))
       4.300     2.300     1.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.63262E-03 ppm1      4.594 ppm2      2.026 CV     1
  ASSI {  909}
    (( segid "    " and resid 66   and name HA  ))
    (( segid "    " and resid 66   and name HB2 ))
       2.600     0.900     0.900 peak   909 spectrum    1 weight  0.10000E+01 volume  0.47248E-02 ppm1      4.595 ppm2      1.912 CV     1
  ASSI {  910}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 43   and name HB1 ))
       2.400     0.700     0.700 peak   910 spectrum    1 weight  0.10000E+01 volume  0.50292E-02 ppm1      4.529 ppm2      2.377 CV     1
  ASSI {  911}
    (( segid "    " and resid 82   and name HA  ))
    (( segid "    " and resid 74   and name HE1 ))
       2.500     2.500     3.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.51082E-02 ppm1      4.525 ppm2      2.979 CV     1
  ASSI {  912}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 43   and name HB2 ))
       2.500     0.800     0.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.59538E-02 ppm1      4.525 ppm2      2.062 CV     1
  ASSI {  913}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HB1 ))
       3.300     1.400     1.400 peak   913 spectrum    1 weight  0.10000E+01 volume  0.13081E-02 ppm1      4.448 ppm2      3.018 CV     1
  ASSI {  914}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HB2 ))
       2.600     0.900     0.900 peak   914 spectrum    1 weight  0.10000E+01 volume  0.30108E-02 ppm1      4.450 ppm2      2.447 CV     1
  ASSI {  915}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 71   and name HB  ))
       2.600     0.800     0.800 peak   915 spectrum    1 weight  0.10000E+01 volume  0.37663E-02 ppm1      4.445 ppm2      1.970 CV     1
  ASSI {  916}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 38   and name HB1 ))
       3.200     1.300     1.300 peak   916 spectrum    1 weight  0.10000E+01 volume  0.12291E-02 ppm1      4.411 ppm2      2.052 CV     1
  ASSI {  917}
    (( segid "    " and resid 76   and name HA  ))
    (( segid "    " and resid 76   and name HB1 ))
       3.300     1.400     1.400 peak   917 spectrum    1 weight  0.10000E+01 volume  0.82769E-03 ppm1      4.387 ppm2      1.914 CV     1
  ASSI {  919}
    (( segid "    " and resid 91   and name HA  ))
    (( segid "    " and resid 91   and name HB1 ))
       3.700     1.800     1.800 peak   919 spectrum    1 weight  0.10000E+01 volume  0.42399E-03 ppm1      4.352 ppm2      2.262 CV     1
  ASSI {  922}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 20   and name HD1 ))
       3.700     1.700     1.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.12404E-02 ppm1      4.336 ppm2      3.127 CV     1
  ASSI {  923}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HG1 ))
       3.500     1.500     1.500 peak   923 spectrum    1 weight  0.10000E+01 volume  0.76792E-03 ppm1      4.327 ppm2      2.860 CV     1
  ASSI {  925}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 26   and name HB2 ))
       3.200     1.300     1.300 peak   925 spectrum    1 weight  0.10000E+01 volume  0.10893E-02 ppm1      4.320 ppm2      2.548 CV     1
  ASSI {  927}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 76   and name HD1 ))
       3.800     3.800     2.200 peak   927 spectrum    1 weight  0.10000E+01 volume  0.96862E-03 ppm1      4.288 ppm2      3.261 CV     1
  ASSI {  928}
    (( segid "    " and resid 75   and name HD1 ))
    (( segid "    " and resid 75   and name HG2 ))
       3.700     1.700     1.700 peak   928 spectrum    1 weight  0.10000E+01 volume  0.56382E-03 ppm1      4.277 ppm2      1.892 CV     1
  ASSI {  929}
    (( segid "    " and resid 75   and name HD1 ))
    (( segid "    " and resid 75   and name HG1 ))
       2.800     1.000     1.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.12968E-02 ppm1      4.258 ppm2      2.119 CV     1
  ASSI {  934}
    (( segid "    " and resid 92   and name HA  ))
    (( segid "    " and resid 92   and name HB1 ))
       2.800     1.000     1.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.22778E-02 ppm1      4.203 ppm2      1.929 CV     1
  ASSI {  938}
    (( segid "    " and resid 17   and name HD1 ))
    (( segid "    " and resid 17   and name HG1 ))
       2.200     0.600     0.600 peak   938 spectrum    1 weight  0.10000E+01 volume  0.82884E-02 ppm1      4.136 ppm2      2.237 CV     1
  ASSI {  941}
    (( segid "    " and resid 17   and name HD1 ))
    (( segid "    " and resid 17   and name HD2 ))
       2.000     0.500     0.500 peak   941 spectrum    1 weight  0.10000E+01 volume  0.66078E-02 ppm1      4.094 ppm2      3.422 CV     1
  ASSI {  943}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 59   and name HB1 ))
       3.000     1.100     1.100 peak   943 spectrum    1 weight  0.10000E+01 volume  0.13419E-02 ppm1      4.041 ppm2      2.742 CV     1
  ASSI {  944}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HB  ))
       2.600     0.900     0.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.36197E-02 ppm1      4.046 ppm2      2.015 CV     1
  ASSI {  945}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 59   and name HB1 ))
       3.100     1.200     1.200 peak   945 spectrum    1 weight  0.10000E+01 volume  0.21199E-02 ppm1      3.493 ppm2      2.746 CV     1
  ASSI {  946}
    (( segid "    " and resid 26   and name HB1 ))
    (( segid "    " and resid 26   and name HB2 ))
       1.900     0.400     0.400 peak   946 spectrum    1 weight  0.10000E+01 volume  0.93367E-02 ppm1      3.481 ppm2      2.549 CV     1
  ASSI {  947}
    (( segid "    " and resid 15   and name HB1 ))
    (( segid "    " and resid 15   and name HB2 ))
       1.800     0.400     0.400 peak   947 spectrum    1 weight  0.10000E+01 volume  0.12855E-01 ppm1      3.406 ppm2      2.810 CV     1
  ASSI {  950}
    (( segid "    " and resid 66   and name HD1 ))
    (( segid "    " and resid 66   and name HD2 ))
       1.900     0.400     0.400 peak   950 spectrum    1 weight  0.10000E+01 volume  0.96752E-02 ppm1      3.738 ppm2      3.456 CV     1
  ASSI {  951}
    (( segid "    " and resid 53   and name HB1 ))
    (( segid "    " and resid 76   and name HD1 ))
       2.700     2.700     3.300 peak   951 spectrum    1 weight  0.10000E+01 volume  0.34619E-02 ppm1      3.732 ppm2      3.260 CV     1
  ASSI {  954}
    (( segid "    " and resid 75   and name HD1 ))
    (( segid "    " and resid 75   and name HD2 ))
       2.500     0.800     0.800 peak   954 spectrum    1 weight  0.10000E+01 volume  0.16238E-02 ppm1      4.254 ppm2      3.880 CV     1
  ASSI {  956}
    (( segid "    " and resid 49   and name HD1 ))
    (( segid "    " and resid 49   and name HG2 ))
       2.500     0.800     0.800 peak   956 spectrum    1 weight  0.10000E+01 volume  0.57509E-02 ppm1      3.938 ppm2      2.057 CV     1
  ASSI {  957}
    (( segid "    " and resid 49   and name HD1 ))
    (( segid "    " and resid 49   and name HG1 ))
       2.700     0.900     0.900 peak   957 spectrum    1 weight  0.10000E+01 volume  0.31687E-02 ppm1      3.918 ppm2      2.199 CV     1
  ASSI {  958}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 57   and name HB1 ))
       2.500     0.800     0.800 peak   958 spectrum    1 weight  0.10000E+01 volume  0.62360E-02 ppm1      3.878 ppm2      2.280 CV     1
  ASSI {  959}
    (( segid "    " and resid 75   and name HD2 ))
    (( segid "    " and resid 75   and name HG1 ))
       2.300     0.700     0.700 peak   959 spectrum    1 weight  0.10000E+01 volume  0.13983E-01 ppm1      3.877 ppm2      2.119 CV     1
  ASSI {  960}
    (( segid "    " and resid 75   and name HD2 ))
    (( segid "    " and resid 75   and name HG2 ))
       2.300     0.700     0.700 peak   960 spectrum    1 weight  0.10000E+01 volume  0.45557E-02 ppm1      3.877 ppm2      1.901 CV     1
  ASSI {  962}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 51   and name HB1 ))
       2.800     1.000     1.000 peak   962 spectrum    1 weight  0.10000E+01 volume  0.21763E-02 ppm1      3.818 ppm2      2.254 CV     1
  ASSI {  964}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 46   and name HG1 ))
       2.900     1.000     1.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.47248E-02 ppm1      3.750 ppm2      2.254 CV     1
  ASSI {  966}
    (( segid "    " and resid 66   and name HD1 ))
    (( segid "    " and resid 66   and name HG2 ))
       2.500     0.800     0.800 peak   966 spectrum    1 weight  0.10000E+01 volume  0.12404E-01 ppm1      3.748 ppm2      1.912 CV     1
  ASSI {  967}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 46   and name HB1 ))
       2.500     0.800     0.800 peak   967 spectrum    1 weight  0.10000E+01 volume  0.34393E-02 ppm1      3.736 ppm2      2.334 CV     1
  ASSI {  968}
    (( segid "    " and resid 53   and name HB1 ))
    (( segid "    " and resid 54   and name HB  ))
       3.100     1.200     1.200 peak   968 spectrum    1 weight  0.10000E+01 volume  0.17479E-02 ppm1      3.737 ppm2      2.128 CV     1
  ASSI {  969}
    (( segid "    " and resid 66   and name HD1 ))
    (( segid "    " and resid 66   and name HG1 ))
       2.700     0.900     0.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.25259E-02 ppm1      3.698 ppm2      2.019 CV     1
  ASSI {  970}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 66   and name HB2 ))
       3.100     1.200     1.200 peak   970 spectrum    1 weight  0.10000E+01 volume  0.66417E-02 ppm1      3.694 ppm2      1.883 CV     1
  ASSI {  971}
    (( segid "    " and resid 25   and name HA2 ))
    (( segid "    " and resid 28   and name HG1 ))
       3.000     3.000     3.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.23455E-02 ppm1      3.640 ppm2      1.996 CV     1
  ASSI {  972}
    (( segid "    " and resid 49   and name HD2 ))
    (( segid "    " and resid 49   and name HG2 ))
       2.400     0.700     0.700 peak   972 spectrum    1 weight  0.10000E+01 volume  0.32025E-02 ppm1      3.630 ppm2      2.064 CV     1
  ASSI {  975}
    (( segid "    " and resid 43   and name HD2 ))
    (( segid "    " and resid 43   and name HG1 ))
       4.800     2.900     1.200 peak   975 spectrum    1 weight  0.10000E+01 volume  0.15561E-03 ppm1      3.513 ppm2      1.904 CV     1
  ASSI {  978}
    (( segid "    " and resid 66   and name HD2 ))
    (( segid "    " and resid 66   and name HG1 ))
       3.200     1.300     1.300 peak   978 spectrum    1 weight  0.10000E+01 volume  0.18155E-02 ppm1      3.455 ppm2      2.024 CV     1
  ASSI {  980}
    (( segid "    " and resid 17   and name HD2 ))
    (( segid "    " and resid 17   and name HG2 ))
       2.900     1.000     1.000 peak   980 spectrum    1 weight  0.10000E+01 volume  0.12855E-02 ppm1      3.423 ppm2      2.084 CV     1
  ASSI {  982}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 56   and name HB1 ))
       4.000     2.000     2.000 peak   982 spectrum    1 weight  0.10000E+01 volume  0.63147E-03 ppm1      3.310 ppm2      2.026 CV     1
  ASSI {  988}
    (( segid "    " and resid 62   and name HB1 ))
    (  segid "    " and resid 62   and name HD2%)
       3.100     1.200     1.200 peak   988 spectrum    1 weight  0.10000E+01 volume  0.13419E-02 ppm1      1.260 ppm2      0.293 CV     1
  ASSI {  989}
    (( segid "    " and resid 14   and name HB  ))
    (  segid "    " and resid 14   and name HG2%)
       2.100     0.600     0.600 peak   989 spectrum    1 weight  0.10000E+01 volume  0.11389E-01 ppm1      1.265 ppm2      0.137 CV     1
  ASSI {  990}
    (( segid "    " and resid 62   and name HB2 ))
    (  segid "    " and resid 62   and name HD2%)
       2.600     0.900     0.900 peak   990 spectrum    1 weight  0.10000E+01 volume  0.50067E-02 ppm1      1.181 ppm2      0.292 CV     1
  ASSI {  996}
    (( segid "    " and resid 50   and name HB1 ))
    (  segid "    " and resid 50   and name HD1%)
       2.700     0.900     0.900 peak   996 spectrum    1 weight  0.10000E+01 volume  0.24131E-02 ppm1      2.233 ppm2      1.039 CV     1
  ASSI { 1001}
    (( segid "    " and resid 39   and name HB  ))
    (  segid "    " and resid 39   and name HG2%)
       3.000     1.100     1.100 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.15900E-02 ppm1      2.002 ppm2      1.064 CV     1
  ASSI { 1004}
    (( segid "    " and resid 71   and name HB  ))
    (  segid "    " and resid 71   and name HG2%)
       2.500     0.800     0.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.50067E-02 ppm1      1.970 ppm2      0.756 CV     1
  ASSI { 1007}
    (  segid "    " and resid 36   and name HE% )
    (  segid "    " and resid 54   and name HG2%)
       3.000     1.100     1.100 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.24808E-02 ppm1      1.948 ppm2      0.524 CV     1
  ASSI { 1017}
    (( segid "    " and resid 83   and name HB  ))
    (  segid "    " and resid 83   and name HG2%)
       1.300     0.200     0.900 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.18606E+00 ppm1      1.755 ppm2      0.514 CV     1
  ASSI { 1024}
    (( segid "    " and resid 87   and name HB  ))
    (  segid "    " and resid 87   and name HG1%)
       2.500     0.800     0.800 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.45557E-02 ppm1      1.694 ppm2      0.521 CV     1
  ASSI { 1029}
    (  segid "    " and resid 58   and name HB% )
    (  segid "    " and resid 87   and name HG1%)
       5.000     3.200     1.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.79947E-04 ppm1      1.585 ppm2      0.524 CV     1
  ASSI { 1032}
    (( segid "    " and resid 32   and name HG  ))
    (  segid "    " and resid 32   and name HD1%)
       2.900     1.000     1.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.18155E-02 ppm1      1.543 ppm2      0.484 CV     1
  ASSI { 1033}
    (  segid "    " and resid 61   and name HB% )
    (  segid "    " and resid 71   and name HG2%)
       2.500     0.800     0.800 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.58635E-02 ppm1      1.532 ppm2      0.786 CV     1
  OR { 1033}
    (  segid "    " and resid 61   and name HB% )
    (  segid "    " and resid 71   and name HG1%)
  ASSI { 1034}
    (( segid "    " and resid 62   and name HB1 ))
    (  segid "    " and resid 62   and name HD1%)
       2.700     0.900     0.900 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.38001E-02 ppm1      1.260 ppm2      0.391 CV     1
  ASSI { 1035}
    (( segid "    " and resid 62   and name HB2 ))
    (  segid "    " and resid 62   and name HD1%)
       2.300     0.700     0.700 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.78372E-02 ppm1      1.189 ppm2      0.390 CV     1
  ASSI { 1036}
    (( segid "    " and resid 62   and name HG  ))
    (  segid "    " and resid 62   and name HD1%)
       3.000     1.100     1.100 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.14208E-02 ppm1      1.138 ppm2      0.390 CV     1
  ASSI { 1037}
    (( segid "    " and resid 88   and name HG12))
    (  segid "    " and resid 88   and name HD1%)
       2.100     0.600     0.600 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.11840E-01 ppm1      0.352 ppm2      0.008 CV     1
  ASSI { 1039}
    (( segid "    " and resid 64   and name HN  ))
    (( segid "    " and resid 65   and name HN  ))
       2.800     1.000     1.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.21199E-02 ppm1      7.320 ppm2      7.454 CV     1
  ASSI { 1040}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 53   and name HN  ))
       2.900     1.000     1.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.18155E-02 ppm1      8.329 ppm2      8.584 CV     1
  ASSI { 1041}
    (( segid "    " and resid 57   and name HN  ))
    (( segid "    " and resid 58   and name HN  ))
       2.600     0.800     0.800 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.33152E-02 ppm1      8.473 ppm2      8.582 CV     1
  ASSI { 1048}
    (  segid "    " and resid 72   and name HE% )
    (  segid "    " and resid 72   and name HD% )
       2.200     0.600     0.600 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.99908E-02 ppm1      6.350 ppm2      6.873 CV     1
  ASSI { 1052}
    (( segid "    " and resid 35   and name HB1 ))
    (  segid "    " and resid 14   and name HG2%)
       3.300     1.300     1.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.79160E-03 ppm1      2.617 ppm2      0.134 CV     1
  ASSI { 1053}
    (  segid "    " and resid 32   and name HD1%)
    (  segid "    " and resid 16   and name HD% )
       2.800     1.000     1.000 peak  1053 spectrum    1 weight  0.11000E+01 volume  0.24019E-02 ppm1      0.485 ppm2      6.999 CV     1
  ASSI { 1055}
    (  segid "    " and resid 32   and name HD1%)
    (( segid "    " and resid 16   and name HZ  ))
       3.500     1.500     1.500 peak  1055 spectrum    1 weight  0.11000E+01 volume  0.11209E-02 ppm1      0.491 ppm2      7.205 CV     1
  ASSI { 1057}
    (  segid "    " and resid 50   and name HD1%)
    (  segid "    " and resid 85   and name HE% )
       2.500     0.800     0.800 peak  1057 spectrum    1 weight  0.11000E+01 volume  0.47586E-02 ppm1      1.046 ppm2      7.253 CV     1
  ASSI { 1058}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 85   and name HZ  ))
       2.700     0.900     0.900 peak  1058 spectrum    1 weight  0.11000E+01 volume  0.33942E-02 ppm1      1.043 ppm2      7.302 CV     1
  ASSI { 1059}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 53   and name HZ2 ))
       2.600     0.900     0.900 peak  1059 spectrum    1 weight  0.11000E+01 volume  0.36423E-02 ppm1      0.527 ppm2      7.484 CV     1
  ASSI { 1060}
    (  segid "    " and resid 62   and name HD1%)
    (  segid "    " and resid 89   and name HD% )
       2.900     2.900     3.100 peak  1060 spectrum    1 weight  0.11000E+01 volume  0.22102E-02 ppm1      0.390 ppm2      7.032 CV     1
  ASSI { 1061}
    (  segid "    " and resid 62   and name HD1%)
    (  segid "    " and resid 89   and name HE% )
       3.300     3.300     2.700 peak  1061 spectrum    1 weight  0.11000E+01 volume  0.10498E-02 ppm1      0.390 ppm2      6.918 CV     1
  ASSI { 1062}
    (  segid "    " and resid 62   and name HD2%)
    (  segid "    " and resid 89   and name HD% )
       3.700     1.700     1.700 peak  1062 spectrum    1 weight  0.11000E+01 volume  0.58296E-03 ppm1      0.293 ppm2      7.031 CV     1
  ASSI { 1066}
    (  segid "    " and resid 88   and name HD1%)
    (( segid "    " and resid 15   and name HE1 ))
       3.200     1.300     1.300 peak  1066 spectrum    1 weight  0.11000E+01 volume  0.16464E-02 ppm1      0.014 ppm2      8.513 CV     1
  ASSI {    3}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 36   and name HB1 ))
       4.100     2.100     1.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.30715E-03 ppm1      7.720 ppm2      2.282 CV     1
  ASSI {    4}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 32   and name HA  ))
       3.200     1.300     1.300 peak     4 spectrum    1 weight  0.10000E+01 volume  0.10965E-02 ppm1      7.221 ppm2      3.954 CV     1
  ASSI {    5}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 27   and name HA  ))
       2.400     0.700     0.700 peak     5 spectrum    1 weight  0.10000E+01 volume  0.64350E-02 ppm1      6.872 ppm2      3.465 CV     1
  ASSI {    9}
    (( segid "    " and resid 34   and name HD21))
    (( segid "    " and resid 34   and name HN  ))
       4.500     2.500     1.500 peak     9 spectrum    1 weight  0.10000E+01 volume  0.18429E-03 ppm1      7.609 ppm2      8.341 CV     1
  ASSI {   11}
    (( segid "    " and resid 34   and name HD21))
    (( segid "    " and resid 31   and name HN  ))
       4.800     2.900     1.200 peak    11 spectrum    1 weight  0.10000E+01 volume  0.15511E-03 ppm1      7.596 ppm2      8.360 CV     1
  ASSI {   16}
    (( segid "    " and resid 84   and name HE21))
    (( segid "    " and resid 84   and name HB2 ))
       4.000     2.000     2.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.18429E-03 ppm1      8.241 ppm2      1.954 CV     1
  ASSI {   23}
    (( segid "    " and resid 84   and name HE21))
    (( segid "    " and resid 84   and name HA  ))
       4.500     2.500     1.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.17354E-03 ppm1      8.242 ppm2      4.802 CV     1
  ASSI {   34}
    (( segid "    " and resid 34   and name HD21))
    (  segid "    " and resid 31   and name HD1%)
       5.400     3.700     0.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.50833E-04 ppm1      7.609 ppm2      0.831 CV     1
  ASSI {   37}
    (( segid "    " and resid 34   and name HD21))
    (( segid "    " and resid 30   and name HB1 ))
       4.500     2.500     1.500 peak    37 spectrum    1 weight  0.10000E+01 volume  0.17200E-03 ppm1      7.612 ppm2      2.079 CV     1
  ASSI {   38}
    (( segid "    " and resid 34   and name HD21))
    (( segid "    " and resid 30   and name HG1 ))
       4.600     2.700     1.400 peak    38 spectrum    1 weight  0.10000E+01 volume  0.25801E-03 ppm1      7.605 ppm2      2.338 CV     1
  ASSI {   39}
    (( segid "    " and resid 34   and name HD21))
    (( segid "    " and resid 34   and name HB1 ))
       2.700     0.900     0.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.25186E-02 ppm1      7.607 ppm2      3.009 CV     1
  ASSI {   47}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 46   and name HN  ))
       3.100     1.200     1.200 peak    47 spectrum    1 weight  0.10000E+01 volume  0.11826E-02 ppm1      8.520 ppm2      8.753 CV     1
  ASSI {   55}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 49   and name HD2 ))
       2.100     0.600     0.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.41004E-02 ppm1      8.520 ppm2      3.653 CV     1
  ASSI {   56}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 46   and name HG1 ))
       5.700     4.100     0.300 peak    56 spectrum    1 weight  0.10000E+01 volume  0.14989E-03 ppm1      8.522 ppm2      2.295 CV     1
  ASSI {   57}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 50   and name HB2 ))
       3.400     1.500     1.500 peak    57 spectrum    1 weight  0.10000E+01 volume  0.37933E-03 ppm1      8.513 ppm2      1.664 CV     1
  ASSI {   61}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 24   and name HA  ))
       2.600     0.900     0.900 peak    61 spectrum    1 weight  0.10000E+01 volume  0.40544E-02 ppm1      8.432 ppm2      4.143 CV     1
  ASSI {   63}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 24   and name HB1 ))
       3.200     1.300     1.300 peak    63 spectrum    1 weight  0.10000E+01 volume  0.10520E-02 ppm1      8.433 ppm2      2.074 CV     1
  ASSI {   64}
    (( segid "    " and resid 25   and name HN  ))
    (  segid "    " and resid 23   and name HB% )
       3.500     1.500     1.500 peak    64 spectrum    1 weight  0.10000E+01 volume  0.95675E-03 ppm1      8.433 ppm2      1.566 CV     1
  ASSI {   70}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       4.100     2.100     1.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.34247E-03 ppm1      9.190 ppm2      7.094 CV     1
  ASSI {   73}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 89   and name HA  ))
       4.500     2.500     1.500 peak    73 spectrum    1 weight  0.10000E+01 volume  0.16126E-03 ppm1      9.194 ppm2      5.666 CV     1
  ASSI {   75}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 17   and name HA  ))
       2.200     0.600     0.600 peak    75 spectrum    1 weight  0.10000E+01 volume  0.61430E-02 ppm1      9.191 ppm2      4.751 CV     1
  ASSI {   80}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 90   and name HB1 ))
       5.200     3.400     0.800 peak    80 spectrum    1 weight  0.10000E+01 volume  0.12516E-03 ppm1      9.190 ppm2      2.838 CV     1
  ASSI {   82}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 17   and name HG1 ))
       4.800     2.900     1.200 peak    82 spectrum    1 weight  0.10000E+01 volume  0.22115E-03 ppm1      9.190 ppm2      2.236 CV     1
  ASSI {   85}
    (( segid "    " and resid 18   and name HN  ))
    (  segid "    " and resid 18   and name HD1%)
       3.900     1.900     1.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.85235E-03 ppm1      9.192 ppm2      0.746 CV     1
  ASSI {   89}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 15   and name HE1 ))
       5.200     3.400     0.800 peak    89 spectrum    1 weight  0.10000E+01 volume  0.12808E-03 ppm1      8.800 ppm2      8.531 CV     1
  ASSI {   90}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 13   and name HA  ))
       3.000     1.100     1.100 peak    90 spectrum    1 weight  0.10000E+01 volume  0.13637E-02 ppm1      8.804 ppm2      5.101 CV     1
  ASSI {   93}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 12   and name HA  ))
       2.100     0.600     0.600 peak    93 spectrum    1 weight  0.10000E+01 volume  0.95987E-02 ppm1      8.802 ppm2      4.110 CV     1
  ASSI {   94}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 13   and name HG1 ))
       2.400     0.700     0.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.69721E-02 ppm1      8.801 ppm2      2.046 CV     1
  ASSI {   96}
    (( segid "    " and resid 13   and name HN  ))
    (  segid "    " and resid 12   and name HG1%)
       2.800     1.000     1.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.26108E-02 ppm1      8.801 ppm2      0.936 CV     1
  ASSI {  104}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
       4.800     2.900     1.200 peak   104 spectrum    1 weight  0.10000E+01 volume  0.18583E-03 ppm1      9.085 ppm2      7.109 CV     1
  ASSI {  111}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 30   and name HA  ))
       2.900     1.100     1.100 peak   111 spectrum    1 weight  0.10000E+01 volume  0.16893E-02 ppm1      9.082 ppm2      3.969 CV     1
  ASSI {  112}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 29   and name HB1 ))
       4.800     2.900     1.200 peak   112 spectrum    1 weight  0.10000E+01 volume  0.20579E-03 ppm1      9.087 ppm2      3.059 CV     1
  ASSI {  113}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 30   and name HG1 ))
       3.800     1.800     1.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.71563E-03 ppm1      9.085 ppm2      2.353 CV     1
  ASSI {  114}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 30   and name HB1 ))
       2.700     0.900     0.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.37318E-02 ppm1      9.083 ppm2      2.072 CV     1
  ASSI {  116}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 31   and name HB2 ))
       6.000     6.000     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.27797E-04 ppm1      9.086 ppm2      1.671 CV     1
  ASSI {  117}
    (( segid "    " and resid 30   and name HN  ))
    (  segid "    " and resid 31   and name HD1%)
       6.000     5.500     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.33018E-04 ppm1      9.083 ppm2      0.799 CV     1
  ASSI {  121}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 13   and name HA  ))
       2.200     0.600     0.600 peak   121 spectrum    1 weight  0.10000E+01 volume  0.70032E-02 ppm1      8.602 ppm2      5.093 CV     1
  ASSI {  124}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 13   and name HG1 ))
       3.600     1.600     1.600 peak   124 spectrum    1 weight  0.10000E+01 volume  0.13500E-02 ppm1      8.602 ppm2      2.022 CV     1
  ASSI {  133}
    (( segid "    " and resid 88   and name HN  ))
    (( segid "    " and resid 86   and name HA  ))
       2.800     2.800     3.200 peak   133 spectrum    1 weight  0.10000E+01 volume  0.98902E-03 ppm1      8.616 ppm2      4.722 CV     1
  ASSI {  137}
    (( segid "    " and resid 88   and name HN  ))
    (( segid "    " and resid 88   and name HA  ))
       3.400     1.500     1.500 peak   137 spectrum    1 weight  0.10000E+01 volume  0.50833E-03 ppm1      8.608 ppm2      3.801 CV     1
  ASSI {  138}
    (( segid "    " and resid 88   and name HN  ))
    (( segid "    " and resid 87   and name HB  ))
       3.400     1.500     1.500 peak   138 spectrum    1 weight  0.10000E+01 volume  0.15665E-02 ppm1      8.632 ppm2      1.700 CV     1
  ASSI {  143}
    (( segid "    " and resid 88   and name HN  ))
    (  segid "    " and resid 87   and name HG2%)
       3.000     1.100     1.100 peak   143 spectrum    1 weight  0.10000E+01 volume  0.51908E-02 ppm1      8.606 ppm2      0.203 CV     1
  ASSI {  145}
    (( segid "    " and resid 87   and name HN  ))
    (( segid "    " and resid 86   and name HN  ))
       4.100     2.100     1.900 peak   145 spectrum    1 weight  0.10000E+01 volume  0.42387E-03 ppm1      8.714 ppm2      9.336 CV     1
  ASSI {  146}
    (( segid "    " and resid 87   and name HN  ))
    (( segid "    " and resid 73   and name HN  ))
       4.500     2.600     1.500 peak   146 spectrum    1 weight  0.10000E+01 volume  0.17200E-03 ppm1      8.725 ppm2      9.214 CV     1
  ASSI {  155}
    (( segid "    " and resid 87   and name HN  ))
    (( segid "    " and resid 87   and name HA  ))
       3.900     1.900     1.900 peak   155 spectrum    1 weight  0.10000E+01 volume  0.26108E-03 ppm1      8.724 ppm2      4.215 CV     1
  ASSI {  158}
    (( segid "    " and resid 87   and name HN  ))
    (( segid "    " and resid 85   and name HB2 ))
       3.400     3.400     2.600 peak   158 spectrum    1 weight  0.10000E+01 volume  0.27644E-03 ppm1      8.715 ppm2      2.773 CV     1
  ASSI {  159}
    (( segid "    " and resid 87   and name HN  ))
    (( segid "    " and resid 86   and name HB2 ))
       5.400     3.600     0.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.14114E-03 ppm1      8.716 ppm2      2.706 CV     1
  ASSI {  160}
    (( segid "    " and resid 87   and name HN  ))
    (( segid "    " and resid 71   and name HB  ))
       3.700     1.700     1.700 peak   160 spectrum    1 weight  0.10000E+01 volume  0.16279E-03 ppm1      8.714 ppm2      2.003 CV     1
  ASSI {  161}
    (( segid "    " and resid 87   and name HN  ))
    (( segid "    " and resid 87   and name HB  ))
       2.400     0.700     0.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.41004E-02 ppm1      8.725 ppm2      1.710 CV     1
  ASSI {  162}
    (( segid "    " and resid 87   and name HN  ))
    (  segid "    " and resid 71   and name HG2%)
       4.100     2.100     1.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.31790E-03 ppm1      8.721 ppm2      0.795 CV     1
  ASSI {  167}
    (( segid "    " and resid 92   and name HN  ))
    (( segid "    " and resid 91   and name HN  ))
       3.800     1.800     1.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.86619E-03 ppm1      8.113 ppm2      9.030 CV     1
  ASSI {  175}
    (( segid "    " and resid 92   and name HN  ))
    (( segid "    " and resid 17   and name HA  ))
       4.200     2.200     1.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.21040E-03 ppm1      8.114 ppm2      4.785 CV     1
  ASSI {  178}
    (( segid "    " and resid 92   and name HN  ))
    (( segid "    " and resid 92   and name HA  ))
       3.600     1.600     1.600 peak   178 spectrum    1 weight  0.10000E+01 volume  0.54212E-03 ppm1      8.117 ppm2      4.166 CV     1
  ASSI {  182}
    (( segid "    " and resid 92   and name HN  ))
    (( segid "    " and resid 90   and name HB1 ))
       3.400     3.400     2.600 peak   182 spectrum    1 weight  0.10000E+01 volume  0.58975E-03 ppm1      8.117 ppm2      2.858 CV     1
  ASSI {  183}
    (( segid "    " and resid 92   and name HN  ))
    (( segid "    " and resid 91   and name HB1 ))
       3.400     1.400     1.400 peak   183 spectrum    1 weight  0.10000E+01 volume  0.16432E-02 ppm1      8.115 ppm2      2.207 CV     1
  ASSI {  184}
    (( segid "    " and resid 92   and name HN  ))
    (( segid "    " and resid 92   and name HB1 ))
       3.300     1.400     1.400 peak   184 spectrum    1 weight  0.10000E+01 volume  0.18429E-02 ppm1      8.115 ppm2      1.960 CV     1
  ASSI {  187}
    (( segid "    " and resid 79   and name HN  ))
    (( segid "    " and resid 77   and name HN  ))
       4.100     2.100     1.900 peak   187 spectrum    1 weight  0.10000E+01 volume  0.98136E-04 ppm1      8.688 ppm2      9.728 CV     1
  ASSI {  188}
    (( segid "    " and resid 90   and name HN  ))
    (( segid "    " and resid 18   and name HN  ))
       2.900     1.100     1.100 peak   188 spectrum    1 weight  0.10000E+01 volume  0.14559E-02 ppm1      8.741 ppm2      9.195 CV     1
  ASSI {  189}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 41   and name HN  ))
       5.500     3.800     0.500 peak   189 spectrum    1 weight  0.10000E+01 volume  0.19043E-04 ppm1      8.693 ppm2      8.411 CV     1
  ASSI {  192}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 39   and name HN  ))
       4.500     2.500     1.500 peak   192 spectrum    1 weight  0.10000E+01 volume  0.16740E-03 ppm1      8.705 ppm2      7.728 CV     1
  ASSI {  195}
    (( segid "    " and resid 90   and name HN  ))
    (( segid "    " and resid 15   and name HD2 ))
       4.800     2.900     1.200 peak   195 spectrum    1 weight  0.10000E+01 volume  0.98136E-04 ppm1      8.728 ppm2      7.101 CV     1
  ASSI {  196}
    (( segid "    " and resid 90   and name HN  ))
    (  segid "    " and resid 89   and name HD% )
       5.900     4.400     0.100 peak   196 spectrum    1 weight  0.10000E+01 volume  0.78170E-04 ppm1      8.739 ppm2      7.065 CV     1
  ASSI {  197}
    (( segid "    " and resid 72   and name HN  ))
    (  segid "    " and resid 72   and name HD% )
       3.700     1.700     1.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.37012E-03 ppm1      8.695 ppm2      6.905 CV     1
  ASSI {  198}
    (( segid "    " and resid 90   and name HN  ))
    (( segid "    " and resid 89   and name HA  ))
       2.200     0.600     0.600 peak   198 spectrum    1 weight  0.10000E+01 volume  0.65269E-02 ppm1      8.743 ppm2      5.683 CV     1
  ASSI {  200}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 41   and name HA  ))
       3.700     1.700     1.700 peak   200 spectrum    1 weight  0.10000E+01 volume  0.21193E-02 ppm1      8.690 ppm2      5.131 CV     1
  ASSI {  201}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 40   and name HA  ))
       2.800     1.000     1.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.19811E-02 ppm1      8.696 ppm2      4.761 CV     1
  ASSI {  202}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 71   and name HA  ))
       2.100     0.500     0.500 peak   202 spectrum    1 weight  0.10000E+01 volume  0.10704E-01 ppm1      8.692 ppm2      4.490 CV     1
  ASSI {  203}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 39   and name HA  ))
       2.200     0.600     0.600 peak   203 spectrum    1 weight  0.10000E+01 volume  0.79553E-02 ppm1      8.698 ppm2      4.083 CV     1
  ASSI {  204}
    (( segid "    " and resid 90   and name HN  ))
    (( segid "    " and resid 18   and name HA  ))
       4.600     2.700     1.400 peak   204 spectrum    1 weight  0.10000E+01 volume  0.18736E-03 ppm1      8.741 ppm2      3.716 CV     1
  ASSI {  205}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 40   and name HB2 ))
       2.500     0.800     0.800 peak   205 spectrum    1 weight  0.10000E+01 volume  0.69721E-02 ppm1      8.697 ppm2      2.917 CV     1
  ASSI {  206}
    (( segid "    " and resid 90   and name HN  ))
    (( segid "    " and resid 90   and name HB1 ))
       3.700     1.700     1.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.87844E-03 ppm1      8.743 ppm2      2.848 CV     1
  ASSI {  211}
    (( segid "    " and resid 90   and name HN  ))
    (( segid "    " and resid 18   and name HB2 ))
       4.800     2.900     1.200 peak   211 spectrum    1 weight  0.10000E+01 volume  0.92913E-04 ppm1      8.742 ppm2      1.318 CV     1
  ASSI {  213}
    (( segid "    " and resid 72   and name HN  ))
    (  segid "    " and resid 71   and name HG1%)
       3.300     1.400     1.400 peak   213 spectrum    1 weight  0.10000E+01 volume  0.16432E-02 ppm1      8.693 ppm2      0.807 CV     1
  ASSI {  214}
    (( segid "    " and resid 90   and name HN  ))
    (  segid "    " and resid 88   and name HG2%)
       3.800     1.800     1.800 peak   214 spectrum    1 weight  0.10000E+01 volume  0.41465E-03 ppm1      8.744 ppm2      0.712 CV     1
  ASSI {  215}
    (( segid "    " and resid 90   and name HN  ))
    (( segid "    " and resid 88   and name HB  ))
       3.600     1.600     1.600 peak   215 spectrum    1 weight  0.10000E+01 volume  0.19504E-03 ppm1      8.740 ppm2      0.149 CV     1
  ASSI {  220}
    (( segid "    " and resid 86   and name HN  ))
    (( segid "    " and resid 85   and name HA  ))
       2.300     0.600     0.600 peak   220 spectrum    1 weight  0.10000E+01 volume  0.63579E-02 ppm1      9.348 ppm2      5.289 CV     1
  ASSI {  221}
    (( segid "    " and resid 86   and name HN  ))
    (( segid "    " and resid 86   and name HA  ))
       3.200     1.300     1.300 peak   221 spectrum    1 weight  0.10000E+01 volume  0.85388E-03 ppm1      9.347 ppm2      4.757 CV     1
  ASSI {  222}
    (( segid "    " and resid 86   and name HN  ))
    (( segid "    " and resid 86   and name HB1 ))
       3.000     1.100     1.100 peak   222 spectrum    1 weight  0.10000E+01 volume  0.24879E-02 ppm1      9.348 ppm2      3.122 CV     1
  ASSI {  227}
    (( segid "    " and resid 89   and name HN  ))
    (( segid "    " and resid 71   and name HN  ))
       5.200     3.400     0.800 peak   227 spectrum    1 weight  0.10000E+01 volume  0.20118E-03 ppm1      7.868 ppm2      8.950 CV     1
  ASSI {  230}
    (( segid "    " and resid 89   and name HN  ))
    (  segid "    " and resid 89   and name HD% )
       3.400     1.400     1.400 peak   230 spectrum    1 weight  0.10000E+01 volume  0.88615E-03 ppm1      7.873 ppm2      7.041 CV     1
  ASSI {  233}
    (( segid "    " and resid 89   and name HN  ))
    (( segid "    " and resid 88   and name HA  ))
       2.100     0.500     0.500 peak   233 spectrum    1 weight  0.10000E+01 volume  0.91683E-02 ppm1      7.877 ppm2      3.792 CV     1
  ASSI {  235}
    (( segid "    " and resid 89   and name HN  ))
    (( segid "    " and resid 89   and name HB1 ))
       3.200     1.300     1.300 peak   235 spectrum    1 weight  0.10000E+01 volume  0.35476E-02 ppm1      7.876 ppm2      2.913 CV     1
  ASSI {  237}
    (( segid "    " and resid 89   and name HN  ))
    (( segid "    " and resid 70   and name HB1 ))
       4.500     2.600     1.500 peak   237 spectrum    1 weight  0.10000E+01 volume  0.14252E-03 ppm1      7.871 ppm2      2.039 CV     1
  ASSI {  239}
    (( segid "    " and resid 89   and name HN  ))
    (  segid "    " and resid 88   and name HG2%)
       2.600     0.800     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.36398E-02 ppm1      7.876 ppm2      0.726 CV     1
  ASSI {  240}
    (( segid "    " and resid 89   and name HN  ))
    (( segid "    " and resid 88   and name HG12))
       5.500     3.700     0.500 peak   240 spectrum    1 weight  0.10000E+01 volume  0.13438E-03 ppm1      7.877 ppm2      0.367 CV     1
  OR {  240}
    (( segid "    " and resid 89   and name HN  ))
    (( segid "    " and resid 88   and name HG11))
  ASSI {  245}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 10   and name HN  ))
       5.100     3.200     0.900 peak   245 spectrum    1 weight  0.10000E+01 volume  0.19043E-03 ppm1      8.295 ppm2      8.056 CV     1
  ASSI {  258}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 11   and name HA  ))
       2.800     1.000     1.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.19658E-02 ppm1      8.288 ppm2      5.013 CV     1
  ASSI {  264}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 83   and name HA  ))
       3.600     3.600     2.400 peak   264 spectrum    1 weight  0.10000E+01 volume  0.91683E-03 ppm1      8.305 ppm2      4.366 CV     1
  ASSI {  266}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 82   and name HB1 ))
       5.000     3.100     1.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.13346E-03 ppm1      8.287 ppm2      3.907 CV     1
  ASSI {  268}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 11   and name HB1 ))
       2.700     0.900     0.900 peak   268 spectrum    1 weight  0.10000E+01 volume  0.48990E-02 ppm1      8.291 ppm2      2.542 CV     1
  ASSI {  273}
    (( segid "    " and resid 9    and name HN  ))
    (  segid "    " and resid 9    and name HB% )
       2.900     1.100     1.100 peak   273 spectrum    1 weight  0.10000E+01 volume  0.19197E-02 ppm1      8.309 ppm2      1.289 CV     1
  ASSI {  275}
    (( segid "    " and resid 11   and name HN  ))
    (  segid "    " and resid 83   and name HG2%)
       4.700     2.800     1.300 peak   275 spectrum    1 weight  0.10000E+01 volume  0.17047E-03 ppm1      8.283 ppm2      0.509 CV     1
  ASSI {  278}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 53   and name HZ2 ))
       4.500     2.500     1.500 peak   278 spectrum    1 weight  0.10000E+01 volume  0.29026E-03 ppm1      9.201 ppm2      7.542 CV     1
  ASSI {  280}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 53   and name HH2 ))
       3.500     1.600     1.600 peak   280 spectrum    1 weight  0.10000E+01 volume  0.55289E-03 ppm1      9.211 ppm2      6.814 CV     1
  ASSI {  281}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 74   and name HA  ))
       3.000     1.100     1.100 peak   281 spectrum    1 weight  0.10000E+01 volume  0.14344E-02 ppm1      9.211 ppm2      5.337 CV     1
  ASSI {  283}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 84   and name HA  ))
       6.000     4.700     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.49451E-04 ppm1      9.209 ppm2      4.769 CV     1
  ASSI {  285}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 75   and name HD1 ))
       5.000     3.100     1.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.11810E-03 ppm1      9.217 ppm2      4.247 CV     1
  ASSI {  286}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 75   and name HD2 ))
       4.700     2.700     1.300 peak   286 spectrum    1 weight  0.10000E+01 volume  0.27029E-03 ppm1      9.197 ppm2      3.907 CV     1
  ASSI {  289}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 74   and name HB1 ))
       3.300     1.400     1.400 peak   289 spectrum    1 weight  0.10000E+01 volume  0.71257E-03 ppm1      9.209 ppm2      2.008 CV     1
  ASSI {  290}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 74   and name HB2 ))
       3.100     1.200     1.200 peak   290 spectrum    1 weight  0.10000E+01 volume  0.13253E-02 ppm1      9.209 ppm2      1.783 CV     1
  ASSI {  292}
    (( segid "    " and resid 74   and name HN  ))
    (  segid "    " and resid 73   and name HD1%)
       2.800     1.000     1.000 peak   292 spectrum    1 weight  0.10000E+01 volume  0.10351E-02 ppm1      9.210 ppm2      0.703 CV     1
  ASSI {  293}
    (( segid "    " and resid 91   and name HN  ))
    (( segid "    " and resid 90   and name HN  ))
       6.000     4.900     0.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.50680E-04 ppm1      9.026 ppm2      8.738 CV     1
  ASSI {  297}
    (( segid "    " and resid 91   and name HN  ))
    (( segid "    " and resid 90   and name HA  ))
       2.200     0.600     0.600 peak   297 spectrum    1 weight  0.10000E+01 volume  0.81243E-02 ppm1      9.028 ppm2      4.795 CV     1
  ASSI {  299}
    (( segid "    " and resid 91   and name HN  ))
    (( segid "    " and resid 90   and name HB1 ))
       3.400     1.500     1.500 peak   299 spectrum    1 weight  0.10000E+01 volume  0.96446E-03 ppm1      9.028 ppm2      2.854 CV     1
  ASSI {  300}
    (( segid "    " and resid 91   and name HN  ))
    (( segid "    " and resid 91   and name HB1 ))
       3.900     1.900     1.900 peak   300 spectrum    1 weight  0.10000E+01 volume  0.47301E-03 ppm1      9.029 ppm2      2.264 CV     1
  ASSI {  301}
    (( segid "    " and resid 91   and name HN  ))
    (( segid "    " and resid 91   and name HB2 ))
       2.900     1.100     1.100 peak   301 spectrum    1 weight  0.10000E+01 volume  0.14498E-02 ppm1      9.028 ppm2      1.960 CV     1
  ASSI {  305}
    (( segid "    " and resid 58   and name HN  ))
    (( segid "    " and resid 55   and name HN  ))
       4.200     2.200     1.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.18736E-03 ppm1      8.598 ppm2      7.547 CV     1
  ASSI {  306}
    (( segid "    " and resid 12   and name HN  ))
    (  segid "    " and resid 85   and name HD% )
       4.800     2.900     1.200 peak   306 spectrum    1 weight  0.10000E+01 volume  0.13883E-03 ppm1      8.623 ppm2      7.177 CV     1
  ASSI {  310}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 11   and name HA  ))
       2.400     0.700     0.700 peak   310 spectrum    1 weight  0.10000E+01 volume  0.50526E-02 ppm1      8.620 ppm2      5.030 CV     1
  ASSI {  311}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 84   and name HA  ))
       5.500     3.700     0.500 peak   311 spectrum    1 weight  0.10000E+01 volume  0.72641E-04 ppm1      8.626 ppm2      4.810 CV     1
  ASSI {  315}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 85   and name HB2 ))
       5.400     3.700     0.600 peak   315 spectrum    1 weight  0.10000E+01 volume  0.12547E-03 ppm1      8.614 ppm2      2.813 CV     1
  ASSI {  317}
    (( segid "    " and resid 58   and name HN  ))
    (( segid "    " and resid 57   and name HB1 ))
       2.900     1.000     1.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.16740E-02 ppm1      8.606 ppm2      2.264 CV     1
  ASSI {  321}
    (( segid "    " and resid 58   and name HN  ))
    (  segid "    " and resid 73   and name HD2%)
       2.800     1.000     1.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.27183E-02 ppm1      8.605 ppm2      0.642 CV     1
  ASSI {  326}
    (( segid "    " and resid 15   and name HN  ))
    (  segid "    " and resid 16   and name HE% )
       4.100     2.100     1.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.51755E-03 ppm1      8.937 ppm2      7.104 CV     1
  ASSI {  327}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 15   and name HA  ))
       3.100     1.200     1.200 peak   327 spectrum    1 weight  0.10000E+01 volume  0.10781E-02 ppm1      8.933 ppm2      5.264 CV     1
  ASSI {  330}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 14   and name HA  ))
       2.300     0.600     0.600 peak   330 spectrum    1 weight  0.10000E+01 volume  0.65728E-02 ppm1      8.936 ppm2      4.387 CV     1
  ASSI {  331}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 15   and name HB1 ))
       3.900     1.900     1.900 peak   331 spectrum    1 weight  0.10000E+01 volume  0.10259E-02 ppm1      8.934 ppm2      3.429 CV     1
  ASSI {  332}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 15   and name HB2 ))
       2.600     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.24418E-02 ppm1      8.935 ppm2      2.826 CV     1
  ASSI {  333}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 14   and name HB  ))
       4.300     2.300     1.700 peak   333 spectrum    1 weight  0.10000E+01 volume  0.35015E-03 ppm1      8.940 ppm2      1.272 CV     1
  ASSI {  335}
    (( segid "    " and resid 15   and name HN  ))
    (  segid "    " and resid 14   and name HG2%)
       2.700     0.900     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.27797E-02 ppm1      8.936 ppm2      0.156 CV     1
  ASSI {  361}
    (( segid "    " and resid 58   and name HN  ))
    (  segid "    " and resid 87   and name HG2%)
       5.000     3.100     1.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.14298E-03 ppm1      8.597 ppm2      0.237 CV     1
  ASSI {  370}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
       3.500     3.500     2.500 peak   370 spectrum    1 weight  0.10000E+01 volume  0.23190E-03 ppm1      7.733 ppm2      8.963 CV     1
  ASSI {  374}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       4.000     2.000     2.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.35015E-03 ppm1      7.767 ppm2      7.124 CV     1
  ASSI {  382}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 21   and name HG11))
       5.000     3.200     1.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.11257E-03 ppm1      7.762 ppm2      1.004 CV     1
  ASSI {  383}
    (( segid "    " and resid 22   and name HN  ))
    (  segid "    " and resid 21   and name HG2%)
       2.600     0.800     0.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.36398E-02 ppm1      7.759 ppm2      0.716 CV     1
  ASSI {  399}
    (( segid "    " and resid 84   and name HN  ))
    (( segid "    " and resid 85   and name HA  ))
       4.700     2.800     1.300 peak   399 spectrum    1 weight  0.10000E+01 volume  0.13883E-03 ppm1      8.273 ppm2      5.309 CV     1
  ASSI {  400}
    (( segid "    " and resid 84   and name HN  ))
    (( segid "    " and resid 11   and name HA  ))
       4.400     2.400     1.600 peak   400 spectrum    1 weight  0.10000E+01 volume  0.12854E-03 ppm1      8.254 ppm2      5.025 CV     1
  ASSI {  402}
    (( segid "    " and resid 84   and name HN  ))
    (( segid "    " and resid 84   and name HA  ))
       4.600     2.600     1.400 peak   402 spectrum    1 weight  0.10000E+01 volume  0.10074E-03 ppm1      8.281 ppm2      4.805 CV     1
  ASSI {  405}
    (( segid "    " and resid 84   and name HN  ))
    (( segid "    " and resid 83   and name HA  ))
       2.200     0.600     0.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.78935E-02 ppm1      8.283 ppm2      4.391 CV     1
  ASSI {  407}
    (( segid "    " and resid 84   and name HN  ))
    (( segid "    " and resid 84   and name HB1 ))
       3.500     1.600     1.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.10720E-02 ppm1      8.284 ppm2      2.205 CV     1
  ASSI {  411}
    (( segid "    " and resid 84   and name HN  ))
    (  segid "    " and resid 9    and name HB% )
       4.900     3.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.12010E-03 ppm1      8.276 ppm2      1.288 CV     1
  ASSI {  414}
    (( segid "    " and resid 84   and name HN  ))
    (  segid "    " and resid 12   and name HG2%)
       3.500     1.500     1.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.75561E-03 ppm1      8.280 ppm2      0.786 CV     1
  ASSI {  421}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 38   and name HN  ))
       4.000     2.000     2.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.26261E-03 ppm1      7.713 ppm2      8.562 CV     1
  ASSI {  427}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 80   and name HD22))
       6.000     6.000     0.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.77710E-04 ppm1      7.692 ppm2      6.737 CV     1
  ASSI {  433}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 40   and name HA  ))
       5.300     3.500     0.700 peak   433 spectrum    1 weight  0.10000E+01 volume  0.78935E-04 ppm1      7.708 ppm2      4.800 CV     1
  ASSI {  434}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 38   and name HA  ))
       3.400     1.400     1.400 peak   434 spectrum    1 weight  0.10000E+01 volume  0.97671E-03 ppm1      7.715 ppm2      4.426 CV     1
  ASSI {  435}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 39   and name HA  ))
       3.000     1.200     1.200 peak   435 spectrum    1 weight  0.10000E+01 volume  0.13806E-02 ppm1      7.716 ppm2      4.069 CV     1
  ASSI {  438}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 39   and name HB  ))
       2.800     1.000     1.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.28412E-02 ppm1      7.715 ppm2      2.017 CV     1
  ASSI {  439}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 38   and name HB2 ))
       3.300     1.400     1.400 peak   439 spectrum    1 weight  0.10000E+01 volume  0.12900E-02 ppm1      7.707 ppm2      1.741 CV     1
  ASSI {  443}
    (( segid "    " and resid 39   and name HN  ))
    (  segid "    " and resid 39   and name HG1%)
       2.900     1.000     1.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.21347E-02 ppm1      7.715 ppm2      1.093 CV     1
  ASSI {  454}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 47   and name HA1 ))
       4.900     3.000     1.100 peak   454 spectrum    1 weight  0.10000E+01 volume  0.16432E-03 ppm1      8.736 ppm2      4.051 CV     1
  ASSI {  455}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 46   and name HA  ))
       2.300     0.700     0.700 peak   455 spectrum    1 weight  0.10000E+01 volume  0.60511E-02 ppm1      8.733 ppm2      3.753 CV     1
  ASSI {  456}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 46   and name HB1 ))
       3.200     1.300     1.300 peak   456 spectrum    1 weight  0.10000E+01 volume  0.20118E-02 ppm1      8.735 ppm2      2.323 CV     1
  ASSI {  457}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 43   and name HB2 ))
       4.500     2.500     1.500 peak   457 spectrum    1 weight  0.10000E+01 volume  0.18275E-03 ppm1      8.730 ppm2      2.026 CV     1
  ASSI {  458}
    (( segid "    " and resid 46   and name HN  ))
    (  segid "    " and resid 77   and name HB% )
       6.000     6.000     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.13576E-04 ppm1      8.735 ppm2      1.482 CV     1
  ASSI {  459}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 45   and name HB1 ))
       3.900     1.900     1.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.15818E-03 ppm1      8.728 ppm2      1.140 CV     1
  ASSI {  460}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 45   and name HG1 ))
       5.200     3.400     0.800 peak   460 spectrum    1 weight  0.10000E+01 volume  0.12609E-03 ppm1      8.737 ppm2      0.648 CV     1
  ASSI {  461}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 45   and name HG2 ))
       4.900     2.900     1.100 peak   461 spectrum    1 weight  0.10000E+01 volume  0.20732E-03 ppm1      8.721 ppm2      0.278 CV     1
  ASSI {  463}
    (( segid "    " and resid 73   and name HN  ))
    (( segid "    " and resid 73   and name HA  ))
       3.700     1.700     1.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.37779E-03 ppm1      9.201 ppm2      5.026 CV     1
  ASSI {  464}
    (( segid "    " and resid 73   and name HN  ))
    (( segid "    " and resid 86   and name HA  ))
       3.600     1.600     1.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.57591E-03 ppm1      9.198 ppm2      4.756 CV     1
  ASSI {  466}
    (( segid "    " and resid 73   and name HN  ))
    (( segid "    " and resid 85   and name HB1 ))
       3.900     1.900     1.900 peak   466 spectrum    1 weight  0.10000E+01 volume  0.55135E-03 ppm1      9.202 ppm2      3.037 CV     1
  ASSI {  467}
    (( segid "    " and resid 73   and name HN  ))
    (( segid "    " and resid 86   and name HB2 ))
       4.100     2.100     1.900 peak   467 spectrum    1 weight  0.10000E+01 volume  0.62349E-03 ppm1      9.200 ppm2      2.733 CV     1
  ASSI {  468}
    (( segid "    " and resid 73   and name HN  ))
    (( segid "    " and resid 84   and name HB1 ))
       4.900     3.000     1.100 peak   468 spectrum    1 weight  0.10000E+01 volume  0.83545E-04 ppm1      9.201 ppm2      2.215 CV     1
  ASSI {  471}
    (( segid "    " and resid 73   and name HN  ))
    (( segid "    " and resid 73   and name HG  ))
       3.600     1.600     1.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.78170E-03 ppm1      9.203 ppm2      1.455 CV     1
  ASSI {  472}
    (( segid "    " and resid 73   and name HN  ))
    (  segid "    " and resid 73   and name HD1%)
       3.500     1.600     1.600 peak   472 spectrum    1 weight  0.10000E+01 volume  0.94450E-03 ppm1      9.203 ppm2      0.665 CV     1
  ASSI {  474}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
       3.900     1.900     1.900 peak   474 spectrum    1 weight  0.10000E+01 volume  0.11518E-03 ppm1      6.870 ppm2      8.419 CV     1
  ASSI {  489}
    (( segid "    " and resid 27   and name HN  ))
    (  segid "    " and resid 27   and name HB% )
       2.400     0.700     0.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.64039E-02 ppm1      6.871 ppm2      0.766 CV     1
  ASSI {  490}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 77   and name HN  ))
       2.400     0.700     0.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.37626E-02 ppm1     10.072 ppm2      9.707 CV     1
  ASSI {  493}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 75   and name HA  ))
       2.400     0.700     0.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.38855E-02 ppm1     10.072 ppm2      3.928 CV     1
  ASSI {  494}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 76   and name HB2 ))
       2.300     0.600     0.600 peak   494 spectrum    1 weight  0.10000E+01 volume  0.57438E-02 ppm1     10.072 ppm2      1.797 CV     1
  ASSI {  496}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 45   and name HG2 ))
       4.400     2.400     1.600 peak   496 spectrum    1 weight  0.10000E+01 volume  0.27183E-03 ppm1     10.074 ppm2      0.266 CV     1
  ASSI {  501}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 84   and name HN  ))
       4.200     2.200     1.800 peak   501 spectrum    1 weight  0.10000E+01 volume  0.43308E-03 ppm1      7.702 ppm2      8.321 CV     1
  ASSI {  507}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 84   and name HA  ))
       4.200     2.200     1.800 peak   507 spectrum    1 weight  0.10000E+01 volume  0.17969E-03 ppm1      7.695 ppm2      4.785 CV     1
  ASSI {  508}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 82   and name HA  ))
       2.800     1.000     1.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.23804E-02 ppm1      7.696 ppm2      4.504 CV     1
  ASSI {  509}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 83   and name HA  ))
       2.800     1.000     1.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.21347E-02 ppm1      7.697 ppm2      4.429 CV     1
  ASSI {  510}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 82   and name HB1 ))
       6.000     6.000     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.18275E-04 ppm1      7.694 ppm2      3.872 CV     1
  ASSI {  512}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 84   and name HG1 ))
       6.000     5.900     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.10689E-04 ppm1      7.701 ppm2      2.198 CV     1
  ASSI {  513}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 83   and name HB  ))
       2.700     0.900     0.900 peak   513 spectrum    1 weight  0.10000E+01 volume  0.31790E-02 ppm1      7.694 ppm2      1.775 CV     1
  ASSI {  516}
    (( segid "    " and resid 83   and name HN  ))
    (  segid "    " and resid 9    and name HB% )
       4.900     3.000     1.100 peak   516 spectrum    1 weight  0.10000E+01 volume  0.11748E-03 ppm1      7.696 ppm2      1.271 CV     1
  ASSI {  517}
    (( segid "    " and resid 83   and name HN  ))
    (  segid "    " and resid 83   and name HG1%)
       2.900     1.000     1.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.17508E-02 ppm1      7.696 ppm2      0.757 CV     1
  ASSI {  527}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 44   and name HA  ))
       2.600     0.900     0.900 peak   527 spectrum    1 weight  0.10000E+01 volume  0.42541E-02 ppm1      8.408 ppm2      4.134 CV     1
  ASSI {  530}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 46   and name HG1 ))
       4.200     2.200     1.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.48376E-03 ppm1      8.409 ppm2      2.288 CV     1
  ASSI {  531}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 44   and name HG2 ))
       4.000     2.000     2.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.53598E-03 ppm1      8.408 ppm2      2.119 CV     1
  ASSI {  532}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 44   and name HB2 ))
       5.100     3.300     0.900 peak   532 spectrum    1 weight  0.10000E+01 volume  0.13991E-03 ppm1      8.408 ppm2      1.642 CV     1
  ASSI {  533}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 45   and name HB1 ))
       3.000     1.100     1.100 peak   533 spectrum    1 weight  0.10000E+01 volume  0.14973E-02 ppm1      8.408 ppm2      1.130 CV     1
  ASSI {  534}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 45   and name HB2 ))
       2.900     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.11733E-02 ppm1      8.410 ppm2      0.805 CV     1
  ASSI {  536}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 59   and name HN  ))
       4.200     2.200     1.800 peak   536 spectrum    1 weight  0.10000E+01 volume  0.24726E-03 ppm1      7.896 ppm2      8.154 CV     1
  ASSI {  537}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 63   and name HN  ))
       5.900     4.300     0.100 peak   537 spectrum    1 weight  0.10000E+01 volume  0.42694E-04 ppm1      7.900 ppm2      7.598 CV     1
  ASSI {  540}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 59   and name HD2 ))
       4.900     3.000     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.13960E-03 ppm1      7.890 ppm2      6.833 CV     1
  ASSI {  543}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 61   and name HA  ))
       2.600     0.800     0.800 peak   543 spectrum    1 weight  0.10000E+01 volume  0.38855E-02 ppm1      7.896 ppm2      4.055 CV     1
  ASSI {  544}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 60   and name HB1 ))
       3.100     1.200     1.200 peak   544 spectrum    1 weight  0.10000E+01 volume  0.28104E-02 ppm1      7.895 ppm2      1.980 CV     1
  ASSI {  546}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 62   and name HB1 ))
       4.200     2.200     1.800 peak   546 spectrum    1 weight  0.10000E+01 volume  0.59587E-03 ppm1      7.896 ppm2      1.232 CV     1
  ASSI {  550}
    (( segid "    " and resid 53   and name HN  ))
    (( segid "    " and resid 51   and name HN  ))
       5.300     3.500     0.700 peak   550 spectrum    1 weight  0.10000E+01 volume  0.66959E-04 ppm1      8.623 ppm2      8.082 CV     1
  ASSI {  555}
    (( segid "    " and resid 53   and name HN  ))
    (( segid "    " and resid 53   and name HB1 ))
       2.500     0.800     0.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.29947E-02 ppm1      8.611 ppm2      3.749 CV     1
  ASSI {  558}
    (( segid "    " and resid 53   and name HN  ))
    (( segid "    " and resid 54   and name HB  ))
       4.500     2.600     1.500 peak   558 spectrum    1 weight  0.10000E+01 volume  0.33633E-03 ppm1      8.611 ppm2      2.139 CV     1
  ASSI {  559}
    (( segid "    " and resid 53   and name HN  ))
    (  segid "    " and resid 52   and name HB% )
       2.800     1.000     1.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.21654E-02 ppm1      8.612 ppm2      1.574 CV     1
  ASSI {  560}
    (( segid "    " and resid 53   and name HN  ))
    (  segid "    " and resid 50   and name HD1%)
       4.400     2.400     1.600 peak   560 spectrum    1 weight  0.10000E+01 volume  0.25493E-03 ppm1      8.616 ppm2      1.060 CV     1
  ASSI {  561}
    (( segid "    " and resid 53   and name HN  ))
    (  segid "    " and resid 54   and name HG1%)
       5.000     3.100     1.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.23958E-03 ppm1      8.615 ppm2      0.586 CV     1
  ASSI {  573}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 43   and name HB2 ))
       3.900     1.900     1.900 peak   573 spectrum    1 weight  0.10000E+01 volume  0.46533E-03 ppm1      8.516 ppm2      2.074 CV     1
  ASSI {  577}
    (( segid "    " and resid 85   and name HN  ))
    (( segid "    " and resid 85   and name HA  ))
       3.200     1.300     1.300 peak   577 spectrum    1 weight  0.10000E+01 volume  0.94603E-03 ppm1      9.246 ppm2      5.312 CV     1
  ASSI {  578}
    (( segid "    " and resid 85   and name HN  ))
    (( segid "    " and resid 11   and name HA  ))
       6.000     6.000     0.000 peak   578 spectrum    1 weight  0.10000E+01 volume  0.23190E-05 ppm1      9.241 ppm2      5.021 CV     1
  ASSI {  579}
    (( segid "    " and resid 85   and name HN  ))
    (( segid "    " and resid 84   and name HA  ))
       2.500     0.800     0.800 peak   579 spectrum    1 weight  0.10000E+01 volume  0.35476E-02 ppm1      9.247 ppm2      4.790 CV     1
  ASSI {  581}
    (( segid "    " and resid 85   and name HN  ))
    (( segid "    " and resid 75   and name HD1 ))
       4.600     2.600     1.400 peak   581 spectrum    1 weight  0.10000E+01 volume  0.12947E-03 ppm1      9.254 ppm2      4.244 CV     1
  ASSI {  585}
    (( segid "    " and resid 85   and name HN  ))
    (( segid "    " and resid 84   and name HB2 ))
       3.900     1.900     1.900 peak   585 spectrum    1 weight  0.10000E+01 volume  0.63579E-03 ppm1      9.247 ppm2      1.938 CV     1
  ASSI {  591}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 35   and name HE21))
       6.000     4.700     0.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.48684E-04 ppm1      8.320 ppm2      7.871 CV     1
  ASSI {  595}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
       3.600     1.600     1.600 peak   595 spectrum    1 weight  0.10000E+01 volume  0.79553E-03 ppm1      8.328 ppm2      6.973 CV     1
  ASSI {  604}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 29   and name HA  ))
       3.600     1.700     1.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.66653E-03 ppm1      8.318 ppm2      4.475 CV     1
  ASSI {  606}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 53   and name HA  ))
       3.400     1.500     1.500 peak   606 spectrum    1 weight  0.10000E+01 volume  0.72181E-03 ppm1      8.357 ppm2      4.303 CV     1
  ASSI {  607}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 31   and name HA  ))
       2.900     1.000     1.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.16740E-02 ppm1      8.327 ppm2      4.147 CV     1
  ASSI {  609}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 53   and name HB1 ))
       3.000     1.200     1.200 peak   609 spectrum    1 weight  0.10000E+01 volume  0.19504E-02 ppm1      8.352 ppm2      3.772 CV     1
  ASSI {  610}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 55   and name HA  ))
       3.800     1.800     1.800 peak   610 spectrum    1 weight  0.10000E+01 volume  0.45304E-03 ppm1      8.357 ppm2      3.301 CV     1
  ASSI {  611}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 29   and name HB1 ))
       5.200     3.400     0.800 peak   611 spectrum    1 weight  0.10000E+01 volume  0.74943E-04 ppm1      8.331 ppm2      3.040 CV     1
  ASSI {  612}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 54   and name HA  ))
       3.100     1.200     1.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.12040E-02 ppm1      8.353 ppm2      2.849 CV     1
  ASSI {  614}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 30   and name HG1 ))
       3.800     1.800     1.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.74024E-03 ppm1      8.325 ppm2      2.334 CV     1
  ASSI {  616}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 54   and name HB  ))
       2.300     0.700     0.700 peak   616 spectrum    1 weight  0.10000E+01 volume  0.49912E-02 ppm1      8.354 ppm2      2.092 CV     1
  ASSI {  617}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 56   and name HB1 ))
       2.400     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.78017E-02 ppm1      8.360 ppm2      2.002 CV     1
  ASSI {  621}
    (( segid "    " and resid 54   and name HN  ))
    (  segid "    " and resid 50   and name HD1%)
       3.800     1.800     1.800 peak   621 spectrum    1 weight  0.10000E+01 volume  0.57591E-03 ppm1      8.360 ppm2      1.056 CV     1
  ASSI {  622}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 32   and name HB2 ))
       3.900     1.900     1.900 peak   622 spectrum    1 weight  0.10000E+01 volume  0.94603E-03 ppm1      8.332 ppm2      0.893 CV     1
  ASSI {  623}
    (( segid "    " and resid 56   and name HN  ))
    (  segid "    " and resid 55   and name HG2%)
       3.400     1.400     1.400 peak   623 spectrum    1 weight  0.10000E+01 volume  0.15511E-02 ppm1      8.359 ppm2      0.799 CV     1
  ASSI {  631}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 34   and name HA  ))
       2.900     1.100     1.100 peak   631 spectrum    1 weight  0.10000E+01 volume  0.20272E-02 ppm1      8.545 ppm2      4.526 CV     1
  ASSI {  632}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 37   and name HA1 ))
       3.400     1.400     1.400 peak   632 spectrum    1 weight  0.10000E+01 volume  0.61430E-03 ppm1      8.548 ppm2      3.967 CV     1
  ASSI {  633}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 38   and name HB2 ))
       3.100     1.200     1.200 peak   633 spectrum    1 weight  0.10000E+01 volume  0.98442E-03 ppm1      8.547 ppm2      1.747 CV     1
  ASSI {  639}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 84   and name HE22))
       4.300     2.300     1.700 peak   639 spectrum    1 weight  0.10000E+01 volume  0.24572E-03 ppm1      8.113 ppm2      6.527 CV     1
  ASSI {  640}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 48   and name HA  ))
       3.100     1.200     1.200 peak   640 spectrum    1 weight  0.10000E+01 volume  0.10658E-02 ppm1      8.055 ppm2      5.012 CV     1
  ASSI {  646}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 9    and name HA  ))
       2.200     0.600     0.600 peak   646 spectrum    1 weight  0.10000E+01 volume  0.74484E-02 ppm1      8.101 ppm2      4.385 CV     1
  ASSI {  647}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 47   and name HA1 ))
       2.700     0.900     0.900 peak   647 spectrum    1 weight  0.10000E+01 volume  0.15665E-02 ppm1      8.053 ppm2      4.057 CV     1
  ASSI {  648}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 82   and name HB1 ))
       4.300     2.300     1.700 peak   648 spectrum    1 weight  0.10000E+01 volume  0.32865E-03 ppm1      8.101 ppm2      3.906 CV     1
  ASSI {  649}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 47   and name HA2 ))
       3.500     1.600     1.600 peak   649 spectrum    1 weight  0.10000E+01 volume  0.83852E-03 ppm1      8.052 ppm2      3.644 CV     1
  ASSI {  651}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 48   and name HG1 ))
       3.500     1.500     1.500 peak   651 spectrum    1 weight  0.10000E+01 volume  0.24572E-02 ppm1      8.054 ppm2      2.753 CV     1
  ASSI {  652}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 48   and name HB1 ))
       3.000     1.100     1.100 peak   652 spectrum    1 weight  0.10000E+01 volume  0.12808E-02 ppm1      8.054 ppm2      2.325 CV     1
  ASSI {  653}
    (( segid "    " and resid 48   and name HN  ))
    (  segid "    " and resid 48   and name HE% )
       3.700     1.700     1.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.11303E-02 ppm1      8.057 ppm2      2.120 CV     1
  ASSI {  654}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 10   and name HB  ))
       2.700     0.900     0.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.22269E-02 ppm1      8.102 ppm2      2.024 CV     1
  ASSI {  656}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 83   and name HB  ))
       4.000     2.000     2.000 peak   656 spectrum    1 weight  0.10000E+01 volume  0.51601E-03 ppm1      8.107 ppm2      1.754 CV     1
  ASSI {  657}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 50   and name HB2 ))
       3.900     1.900     1.900 peak   657 spectrum    1 weight  0.10000E+01 volume  0.75096E-03 ppm1      8.057 ppm2      1.648 CV     1
  ASSI {  658}
    (( segid "    " and resid 10   and name HN  ))
    (  segid "    " and resid 9    and name HB% )
       3.600     1.600     1.600 peak   658 spectrum    1 weight  0.10000E+01 volume  0.95369E-03 ppm1      8.101 ppm2      1.291 CV     1
  ASSI {  659}
    (( segid "    " and resid 10   and name HN  ))
    (  segid "    " and resid 10   and name HG1%)
       3.200     1.300     1.300 peak   659 spectrum    1 weight  0.10000E+01 volume  0.24572E-02 ppm1      8.102 ppm2      0.916 CV     1
  ASSI {  663}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 51   and name HN  ))
       5.100     3.200     0.900 peak   663 spectrum    1 weight  0.10000E+01 volume  0.72335E-04 ppm1      8.347 ppm2      8.080 CV     1
  ASSI {  666}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 52   and name HN  ))
       3.500     1.500     1.500 peak   666 spectrum    1 weight  0.10000E+01 volume  0.75867E-03 ppm1      8.334 ppm2      7.089 CV     1
  ASSI {  681}
    (( segid "    " and resid 15   and name HD2 ))
    (( segid "    " and resid 88   and name HN  ))
       5.700     4.000     0.300 peak   681 spectrum    1 weight  0.10000E+01 volume  0.64350E-04 ppm1      7.077 ppm2      8.616 CV     1
  ASSI {  682}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 28   and name HN  ))
       2.500     0.800     0.800 peak   682 spectrum    1 weight  0.10000E+01 volume  0.43922E-02 ppm1      7.080 ppm2      7.302 CV     1
  ASSI {  688}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 29   and name HA  ))
       3.100     1.200     1.200 peak   688 spectrum    1 weight  0.10000E+01 volume  0.12225E-02 ppm1      7.082 ppm2      4.429 CV     1
  ASSI {  689}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 58   and name HA  ))
       3.000     1.200     1.200 peak   689 spectrum    1 weight  0.10000E+01 volume  0.16432E-02 ppm1      7.080 ppm2      4.004 CV     1
  ASSI {  690}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 63   and name HA  ))
       4.700     2.700     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.30255E-03 ppm1      7.084 ppm2      3.718 CV     1
  ASSI {  691}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 29   and name HB1 ))
       2.900     1.000     1.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.25801E-02 ppm1      7.081 ppm2      3.032 CV     1
  ASSI {  692}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 29   and name HB2 ))
       2.600     0.900     0.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.26569E-02 ppm1      7.080 ppm2      2.465 CV     1
  ASSI {  693}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 28   and name HB1 ))
       3.800     1.800     1.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.46533E-03 ppm1      7.084 ppm2      2.186 CV     1
  ASSI {  697}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 28   and name HG1 ))
       4.000     2.000     2.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.49144E-03 ppm1      7.079 ppm2      1.938 CV     1
  ASSI {  698}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 64   and name HB1 ))
       4.200     2.300     1.800 peak   698 spectrum    1 weight  0.10000E+01 volume  0.32404E-03 ppm1      7.068 ppm2      1.888 CV     1
  ASSI {  700}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 63   and name HB1 ))
       4.500     2.500     1.500 peak   700 spectrum    1 weight  0.10000E+01 volume  0.61430E-03 ppm1      7.086 ppm2      1.789 CV     1
  ASSI {  702}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 62   and name HB1 ))
       2.200     0.600     0.600 peak   702 spectrum    1 weight  0.10000E+01 volume  0.78170E-02 ppm1      7.080 ppm2      1.222 CV     1
  ASSI {  703}
    (( segid "    " and resid 62   and name HN  ))
    (  segid "    " and resid 68   and name HD1%)
       4.000     2.000     2.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.49912E-03 ppm1      7.086 ppm2      0.891 CV     1
  ASSI {  705}
    (( segid "    " and resid 15   and name HD2 ))
    (( segid "    " and resid 88   and name HG12))
       4.600     2.700     1.400 peak   705 spectrum    1 weight  0.10000E+01 volume  0.34401E-03 ppm1      7.079 ppm2      0.345 CV     1
  ASSI {  710}
    (( segid "    " and resid 23   and name HN  ))
    (  segid "    " and resid 26   and name HD% )
       3.200     3.200     2.800 peak   710 spectrum    1 weight  0.10000E+01 volume  0.14881E-02 ppm1      6.731 ppm2      7.029 CV     1
  ASSI {  714}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 23   and name HA  ))
       2.700     0.900     0.900 peak   714 spectrum    1 weight  0.10000E+01 volume  0.29947E-02 ppm1      6.729 ppm2      4.283 CV     1
  ASSI {  717}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 63   and name HG1 ))
       4.800     2.800     1.200 peak   717 spectrum    1 weight  0.10000E+01 volume  0.14543E-03 ppm1      6.736 ppm2      2.005 CV     1
  ASSI {  720}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 21   and name HG11))
       4.100     2.100     1.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.25493E-03 ppm1      6.732 ppm2      1.019 CV     1
  ASSI {  721}
    (( segid "    " and resid 23   and name HN  ))
    (  segid "    " and resid 21   and name HG2%)
       5.000     3.100     1.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.18889E-03 ppm1      6.730 ppm2      0.712 CV     1
  ASSI {  728}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 26   and name HA  ))
       2.400     2.400     3.600 peak   728 spectrum    1 weight  0.10000E+01 volume  0.11273E-01 ppm1      8.834 ppm2      4.244 CV     1
  ASSI {  730}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 24   and name HB1 ))
       2.600     0.800     0.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.54982E-02 ppm1      8.834 ppm2      2.077 CV     1
  ASSI {  731}
    (( segid "    " and resid 24   and name HN  ))
    (  segid "    " and resid 23   and name HB% )
       2.500     0.800     0.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.40544E-02 ppm1      8.833 ppm2      1.571 CV     1
  ASSI {  737}
    (( segid "    " and resid 69   and name HN  ))
    (( segid "    " and resid 69   and name HA  ))
       2.900     1.100     1.100 peak   737 spectrum    1 weight  0.10000E+01 volume  0.15250E-02 ppm1      9.017 ppm2      4.971 CV     1
  ASSI {  741}
    (( segid "    " and resid 69   and name HN  ))
    (( segid "    " and resid 69   and name HB1 ))
       3.800     1.800     1.800 peak   741 spectrum    1 weight  0.10000E+01 volume  0.35322E-03 ppm1      9.019 ppm2      2.413 CV     1
  ASSI {  743}
    (( segid "    " and resid 69   and name HN  ))
    (( segid "    " and resid 68   and name HG11))
       2.900     1.000     1.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.12900E-02 ppm1      9.018 ppm2      1.722 CV     1
  ASSI {  759}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 30   and name HG1 ))
       5.000     3.100     1.000 peak   759 spectrum    1 weight  0.10000E+01 volume  0.11948E-03 ppm1      8.328 ppm2      2.375 CV     1
  ASSI {  761}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 59   and name HE1 ))
       4.300     2.300     1.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.35169E-03 ppm1      7.270 ppm2      8.016 CV     1
  ASSI {  764}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 23   and name HN  ))
       2.900     2.900     3.100 peak   764 spectrum    1 weight  0.10000E+01 volume  0.28258E-02 ppm1      7.264 ppm2      6.724 CV     1
  ASSI {  769}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 26   and name HA  ))
       2.600     0.800     0.800 peak   769 spectrum    1 weight  0.10000E+01 volume  0.36858E-02 ppm1      7.264 ppm2      4.218 CV     1
  ASSI {  771}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 26   and name HB2 ))
       3.500     1.500     1.500 peak   771 spectrum    1 weight  0.10000E+01 volume  0.17969E-02 ppm1      7.263 ppm2      2.563 CV     1
  ASSI {  772}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 24   and name HB1 ))
       3.800     1.800     1.800 peak   772 spectrum    1 weight  0.10000E+01 volume  0.16432E-03 ppm1      7.261 ppm2      2.053 CV     1
  ASSI {  774}
    (( segid "    " and resid 26   and name HN  ))
    (  segid "    " and resid 27   and name HB% )
       4.000     2.000     2.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.10013E-02 ppm1      7.263 ppm2      0.798 CV     1
  ASSI {  778}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 69   and name HN  ))
       6.000     4.600     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.43001E-04 ppm1      7.666 ppm2      9.014 CV     1
  ASSI {  783}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 65   and name HD22))
       4.800     2.900     1.200 peak   783 spectrum    1 weight  0.10000E+01 volume  0.31175E-03 ppm1      7.662 ppm2      7.082 CV     1
  ASSI {  785}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 69   and name HA  ))
       4.700     2.800     1.300 peak   785 spectrum    1 weight  0.10000E+01 volume  0.10919E-03 ppm1      7.667 ppm2      4.948 CV     1
  ASSI {  786}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 66   and name HA  ))
       5.200     3.300     0.800 peak   786 spectrum    1 weight  0.10000E+01 volume  0.12670E-03 ppm1      7.665 ppm2      4.609 CV     1
  ASSI {  787}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 68   and name HA  ))
       2.600     0.800     0.800 peak   787 spectrum    1 weight  0.10000E+01 volume  0.24879E-02 ppm1      7.666 ppm2      4.188 CV     1
  ASSI {  788}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 65   and name HB1 ))
       3.100     3.100     2.900 peak   788 spectrum    1 weight  0.10000E+01 volume  0.53751E-03 ppm1      7.664 ppm2      3.033 CV     1
  ASSI {  792}
    (( segid "    " and resid 68   and name HN  ))
    (  segid "    " and resid 62   and name HD1%)
       4.300     2.300     1.700 peak   792 spectrum    1 weight  0.10000E+01 volume  0.32712E-03 ppm1      7.665 ppm2      0.364 CV     1
  ASSI {  803}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 31   and name HA  ))
       4.800     2.900     1.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.87384E-04 ppm1      8.323 ppm2      4.166 CV     1
  ASSI {  804}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 33   and name HA  ))
       3.700     1.700     1.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.55289E-03 ppm1      8.325 ppm2      3.936 CV     1
  ASSI {  805}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 34   and name HB1 ))
       2.500     0.800     0.800 peak   805 spectrum    1 weight  0.10000E+01 volume  0.63120E-02 ppm1      8.325 ppm2      3.008 CV     1
  ASSI {  806}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 33   and name HB1 ))
       2.500     0.800     0.800 peak   806 spectrum    1 weight  0.10000E+01 volume  0.31022E-02 ppm1      8.325 ppm2      1.652 CV     1
  ASSI {  809}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 34   and name HN  ))
       2.700     0.900     0.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.25954E-02 ppm1      8.058 ppm2      8.320 CV     1
  ASSI {  810}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
       4.200     2.200     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.36244E-03 ppm1      8.056 ppm2      7.029 CV     1
  ASSI {  816}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 35   and name HA  ))
       3.200     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.10090E-02 ppm1      8.058 ppm2      4.350 CV     1
  ASSI {  817}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 32   and name HA  ))
       3.300     1.400     1.400 peak   817 spectrum    1 weight  0.10000E+01 volume  0.93220E-03 ppm1      8.058 ppm2      3.950 CV     1
  ASSI {  819}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 35   and name HB1 ))
       3.300     1.400     1.400 peak   819 spectrum    1 weight  0.10000E+01 volume  0.26569E-02 ppm1      8.058 ppm2      2.593 CV     1
  ASSI {  820}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 33   and name HB1 ))
       3.500     1.600     1.600 peak   820 spectrum    1 weight  0.10000E+01 volume  0.24418E-03 ppm1      8.061 ppm2      1.624 CV     1
  ASSI {  821}
    (( segid "    " and resid 35   and name HN  ))
    (  segid "    " and resid 31   and name HD1%)
       4.000     2.000     2.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.30408E-03 ppm1      8.059 ppm2      0.808 CV     1
  ASSI {  827}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 76   and name HA  ))
       4.300     2.400     1.700 peak   827 spectrum    1 weight  0.10000E+01 volume  0.19043E-03 ppm1      7.950 ppm2      4.390 CV     1
  ASSI {  828}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 77   and name HA  ))
       2.600     0.800     0.800 peak   828 spectrum    1 weight  0.10000E+01 volume  0.33326E-02 ppm1      7.947 ppm2      4.117 CV     1
  ASSI {  832}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 78   and name HB  ))
       2.900     1.100     1.100 peak   832 spectrum    1 weight  0.10000E+01 volume  0.18429E-02 ppm1      7.946 ppm2      2.070 CV     1
  ASSI {  834}
    (( segid "    " and resid 78   and name HN  ))
    (  segid "    " and resid 77   and name HB% )
       4.000     2.000     2.000 peak   834 spectrum    1 weight  0.10000E+01 volume  0.81549E-03 ppm1      7.950 ppm2      1.469 CV     1
  ASSI {  835}
    (( segid "    " and resid 78   and name HN  ))
    (  segid "    " and resid 78   and name HG1%)
       2.700     0.900     0.900 peak   835 spectrum    1 weight  0.10000E+01 volume  0.30408E-02 ppm1      7.947 ppm2      0.957 CV     1
  ASSI {  837}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 53   and name HN  ))
       3.800     1.800     1.800 peak   837 spectrum    1 weight  0.10000E+01 volume  0.42541E-03 ppm1      7.583 ppm2      8.625 CV     1
  ASSI {  838}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 59   and name HN  ))
       4.900     3.000     1.100 peak   838 spectrum    1 weight  0.10000E+01 volume  0.83239E-04 ppm1      7.604 ppm2      8.128 CV     1
  ASSI {  857}
    (( segid "    " and resid 63   and name HN  ))
    (( segid "    " and resid 63   and name HA  ))
       2.500     0.800     0.800 peak   857 spectrum    1 weight  0.10000E+01 volume  0.37012E-02 ppm1      7.597 ppm2      3.728 CV     1
  ASSI {  858}
    (( segid "    " and resid 63   and name HN  ))
    (( segid "    " and resid 59   and name HA  ))
       4.600     2.600     1.400 peak   858 spectrum    1 weight  0.10000E+01 volume  0.14144E-03 ppm1      7.616 ppm2      3.492 CV     1
  ASSI {  859}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 55   and name HA  ))
       3.000     1.100     1.100 peak   859 spectrum    1 weight  0.10000E+01 volume  0.14068E-02 ppm1      7.575 ppm2      3.326 CV     1
  ASSI {  862}
    (( segid "    " and resid 63   and name HN  ))
    (( segid "    " and resid 66   and name HB1 ))
       5.300     3.500     0.700 peak   862 spectrum    1 weight  0.10000E+01 volume  0.66806E-04 ppm1      7.609 ppm2      2.358 CV     1
  ASSI {  864}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 55   and name HG11))
       1.800     0.400     0.400 peak   864 spectrum    1 weight  0.10000E+01 volume  0.13530E-01 ppm1      7.592 ppm2      1.851 CV     1
  ASSI {  867}
    (( segid "    " and resid 63   and name HN  ))
    (  segid "    " and resid 61   and name HB% )
       3.800     1.800     1.800 peak   867 spectrum    1 weight  0.10000E+01 volume  0.10551E-02 ppm1      7.599 ppm2      1.520 CV     1
  ASSI {  871}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 55   and name HG12))
       3.300     1.400     1.400 peak   871 spectrum    1 weight  0.10000E+01 volume  0.31944E-02 ppm1      7.574 ppm2      0.642 CV     1
  ASSI {  874}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 51   and name HN  ))
       2.900     1.000     1.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.14498E-02 ppm1      7.094 ppm2      8.067 CV     1
  ASSI {  875}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 55   and name HN  ))
       3.600     1.600     1.600 peak   875 spectrum    1 weight  0.10000E+01 volume  0.60971E-03 ppm1      7.097 ppm2      7.565 CV     1
  ASSI {  881}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 48   and name HA  ))
       5.200     3.400     0.800 peak   881 spectrum    1 weight  0.10000E+01 volume  0.59893E-04 ppm1      7.100 ppm2      4.992 CV     1
  ASSI {  885}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 53   and name HA  ))
       4.700     2.700     1.300 peak   885 spectrum    1 weight  0.10000E+01 volume  0.25647E-03 ppm1      7.081 ppm2      4.344 CV     1
  ASSI {  886}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 52   and name HA  ))
       2.900     1.100     1.100 peak   886 spectrum    1 weight  0.10000E+01 volume  0.18583E-02 ppm1      7.096 ppm2      4.095 CV     1
  ASSI {  887}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 51   and name HA  ))
       5.200     3.400     0.800 peak   887 spectrum    1 weight  0.10000E+01 volume  0.62349E-04 ppm1      7.098 ppm2      3.789 CV     1
  ASSI {  888}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 49   and name HD2 ))
       4.600     2.600     1.400 peak   888 spectrum    1 weight  0.10000E+01 volume  0.48684E-04 ppm1      7.082 ppm2      3.648 CV     1
  ASSI {  890}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 51   and name HB1 ))
       2.900     1.100     1.100 peak   890 spectrum    1 weight  0.10000E+01 volume  0.20272E-02 ppm1      7.095 ppm2      2.257 CV     1
  ASSI {  891}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 54   and name HB  ))
       4.000     2.000     2.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.39776E-03 ppm1      7.094 ppm2      2.111 CV     1
  ASSI {  892}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 55   and name HG11))
       3.600     3.600     2.400 peak   892 spectrum    1 weight  0.10000E+01 volume  0.63579E-03 ppm1      7.091 ppm2      1.857 CV     1
  ASSI {  893}
    (( segid "    " and resid 52   and name HN  ))
    (  segid "    " and resid 52   and name HB% )
       2.400     0.700     0.700 peak   893 spectrum    1 weight  0.10000E+01 volume  0.49451E-02 ppm1      7.094 ppm2      1.573 CV     1
  ASSI {  894}
    (( segid "    " and resid 52   and name HN  ))
    (  segid "    " and resid 55   and name HG2%)
       4.700     2.700     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.22115E-03 ppm1      7.092 ppm2      0.824 CV     1
  ASSI {  897}
    (( segid "    " and resid 16   and name HN  ))
    (  segid "    " and resid 16   and name HD% )
       3.400     1.400     1.400 peak   897 spectrum    1 weight  0.10000E+01 volume  0.94909E-03 ppm1      8.762 ppm2      7.044 CV     1
  ASSI {  899}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 87   and name HA  ))
       6.000     4.900     0.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.40390E-04 ppm1      8.755 ppm2      4.249 CV     1
  ASSI {  901}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 15   and name HB2 ))
       3.700     1.700     1.700 peak   901 spectrum    1 weight  0.10000E+01 volume  0.13684E-02 ppm1      8.761 ppm2      2.854 CV     1
  ASSI {  902}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 16   and name HB2 ))
       2.800     1.000     1.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.13023E-02 ppm1      8.761 ppm2      2.690 CV     1
  ASSI {  903}
    (( segid "    " and resid 16   and name HN  ))
    (  segid "    " and resid 88   and name HG2%)
       4.000     2.000     2.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.54519E-03 ppm1      8.762 ppm2      0.731 CV     1
  ASSI {  904}
    (( segid "    " and resid 16   and name HN  ))
    (  segid "    " and resid 87   and name HG2%)
       3.500     3.500     2.500 peak   904 spectrum    1 weight  0.10000E+01 volume  0.10029E-02 ppm1      8.766 ppm2      0.203 CV     1
  ASSI {  906}
    (( segid "    " and resid 60   and name HN  ))
    (( segid "    " and resid 59   and name HN  ))
       3.200     1.300     1.300 peak   906 spectrum    1 weight  0.10000E+01 volume  0.95522E-03 ppm1      8.623 ppm2      8.149 CV     1
  ASSI {  908}
    (( segid "    " and resid 60   and name HN  ))
    (( segid "    " and resid 63   and name HN  ))
       4.700     2.700     1.300 peak   908 spectrum    1 weight  0.10000E+01 volume  0.12808E-03 ppm1      8.594 ppm2      7.598 CV     1
  ASSI {  912}
    (( segid "    " and resid 60   and name HN  ))
    (( segid "    " and resid 62   and name HN  ))
       5.400     3.600     0.600 peak   912 spectrum    1 weight  0.10000E+01 volume  0.65728E-04 ppm1      8.624 ppm2      7.072 CV     1
  ASSI {  917}
    (( segid "    " and resid 60   and name HN  ))
    (( segid "    " and resid 60   and name HA  ))
       2.700     0.900     0.900 peak   917 spectrum    1 weight  0.10000E+01 volume  0.25954E-02 ppm1      8.621 ppm2      3.792 CV     1
  ASSI {  918}
    (( segid "    " and resid 60   and name HN  ))
    (( segid "    " and resid 59   and name HA  ))
       3.700     1.700     1.700 peak   918 spectrum    1 weight  0.10000E+01 volume  0.50833E-03 ppm1      8.620 ppm2      3.499 CV     1
  ASSI {  919}
    (( segid "    " and resid 60   and name HN  ))
    (( segid "    " and resid 60   and name HG1 ))
       2.600     0.900     0.900 peak   919 spectrum    1 weight  0.10000E+01 volume  0.47915E-02 ppm1      8.622 ppm2      2.622 CV     1
  ASSI {  920}
    (( segid "    " and resid 60   and name HN  ))
    (( segid "    " and resid 60   and name HB1 ))
       2.600     0.900     0.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.66035E-02 ppm1      8.622 ppm2      1.998 CV     1
  ASSI {  929}
    (( segid "    " and resid 82   and name HN  ))
    (( segid "    " and resid 80   and name HA  ))
       3.900     1.900     1.900 peak   929 spectrum    1 weight  0.10000E+01 volume  0.43001E-03 ppm1      8.475 ppm2      4.801 CV     1
  ASSI {  932}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       4.500     2.600     1.500 peak   932 spectrum    1 weight  0.10000E+01 volume  0.17969E-03 ppm1      6.948 ppm2      8.057 CV     1
  ASSI {  933}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 36   and name HN  ))
       4.800     2.900     1.200 peak   933 spectrum    1 weight  0.10000E+01 volume  0.12854E-03 ppm1      6.953 ppm2      7.566 CV     1
  ASSI {  935}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 34   and name HA  ))
       5.000     3.100     1.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.21501E-03 ppm1      6.943 ppm2      4.563 CV     1
  ASSI {  936}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 33   and name HA  ))
       2.700     0.900     0.900 peak   936 spectrum    1 weight  0.10000E+01 volume  0.27644E-02 ppm1      6.940 ppm2      3.936 CV     1
  ASSI {  937}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 29   and name HB1 ))
       6.000     6.000     0.000 peak   937 spectrum    1 weight  0.10000E+01 volume  0.16586E-04 ppm1      6.940 ppm2      3.024 CV     1
  ASSI {  939}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 29   and name HB2 ))
       3.300     3.300     2.700 peak   939 spectrum    1 weight  0.10000E+01 volume  0.31944E-03 ppm1      6.943 ppm2      2.481 CV     1
  ASSI {  942}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 33   and name HB1 ))
       2.500     0.800     0.800 peak   942 spectrum    1 weight  0.10000E+01 volume  0.55901E-02 ppm1      6.940 ppm2      1.638 CV     1
  ASSI {  943}
    (( segid "    " and resid 33   and name HN  ))
    (  segid "    " and resid 33   and name HD1%)
       3.300     1.300     1.300 peak   943 spectrum    1 weight  0.10000E+01 volume  0.24572E-02 ppm1      6.939 ppm2      0.833 CV     1
  ASSI {  944}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
       4.400     2.500     1.600 peak   944 spectrum    1 weight  0.10000E+01 volume  0.22269E-03 ppm1      7.763 ppm2      8.971 CV     1
  ASSI {  949}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       2.400     0.700     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.45304E-02 ppm1      7.754 ppm2      7.112 CV     1
  ASSI {  950}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 23   and name HN  ))
       4.200     2.200     1.800 peak   950 spectrum    1 weight  0.10000E+01 volume  0.35937E-03 ppm1      7.762 ppm2      6.693 CV     1
  ASSI {  953}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 21   and name HA  ))
       2.800     1.000     1.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.19350E-02 ppm1      7.757 ppm2      4.340 CV     1
  ASSI {  956}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 17   and name HD2 ))
       5.100     3.200     0.900 peak   956 spectrum    1 weight  0.10000E+01 volume  0.57438E-04 ppm1      7.758 ppm2      3.454 CV     1
  ASSI {  958}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 20   and name HB1 ))
       3.300     1.400     1.400 peak   958 spectrum    1 weight  0.10000E+01 volume  0.10658E-02 ppm1      7.756 ppm2      1.940 CV     1
  ASSI {  959}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 20   and name HB2 ))
       3.300     1.400     1.400 peak   959 spectrum    1 weight  0.10000E+01 volume  0.58821E-03 ppm1      7.755 ppm2      1.719 CV     1
  ASSI {  960}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 21   and name HB  ))
       2.800     1.000     1.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.19504E-02 ppm1      7.755 ppm2      1.300 CV     1
  ASSI {  968}
    (( segid "    " and resid 71   and name HN  ))
    (( segid "    " and resid 73   and name HN  ))
       5.000     3.100     1.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.12778E-03 ppm1      8.947 ppm2      9.217 CV     1
  ASSI {  969}
    (( segid "    " and resid 71   and name HN  ))
    (( segid "    " and resid 72   and name HN  ))
       3.600     1.600     1.600 peak   969 spectrum    1 weight  0.10000E+01 volume  0.10643E-02 ppm1      8.946 ppm2      8.682 CV     1
  ASSI {  972}
    (( segid "    " and resid 71   and name HN  ))
    (( segid "    " and resid 70   and name HA  ))
       2.200     0.600     0.600 peak   972 spectrum    1 weight  0.10000E+01 volume  0.67418E-02 ppm1      8.946 ppm2      4.964 CV     1
  ASSI {  974}
    (( segid "    " and resid 71   and name HN  ))
    (( segid "    " and resid 71   and name HB  ))
       3.200     1.300     1.300 peak   974 spectrum    1 weight  0.10000E+01 volume  0.13591E-02 ppm1      8.945 ppm2      2.014 CV     1
  ASSI {  976}
    (( segid "    " and resid 71   and name HN  ))
    (  segid "    " and resid 71   and name HG2%)
       2.800     1.000     1.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.25801E-02 ppm1      8.947 ppm2      0.781 CV     1
  ASSI {  978}
    (( segid "    " and resid 71   and name HN  ))
    (  segid "    " and resid 87   and name HG1%)
       3.300     1.400     1.400 peak   978 spectrum    1 weight  0.10000E+01 volume  0.93985E-03 ppm1      8.952 ppm2      0.501 CV     1
  ASSI {  981}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 31   and name HA  ))
       6.000     5.100     0.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.17661E-04 ppm1      7.220 ppm2      4.170 CV     1
  ASSI {  983}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 29   and name HB1 ))
       4.700     2.800     1.300 peak   983 spectrum    1 weight  0.10000E+01 volume  0.87691E-04 ppm1      7.221 ppm2      3.038 CV     1
  ASSI {  985}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 32   and name HB1 ))
       2.700     0.900     0.900 peak   985 spectrum    1 weight  0.10000E+01 volume  0.25801E-02 ppm1      7.221 ppm2      2.000 CV     1
  ASSI {  986}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 32   and name HG  ))
       3.000     1.100     1.100 peak   986 spectrum    1 weight  0.10000E+01 volume  0.51141E-02 ppm1      7.221 ppm2      1.584 CV     1
  ASSI {  987}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 32   and name HB2 ))
       2.600     0.800     0.800 peak   987 spectrum    1 weight  0.10000E+01 volume  0.25032E-02 ppm1      7.221 ppm2      0.891 CV     1
  ASSI {  988}
    (( segid "    " and resid 32   and name HN  ))
    (  segid "    " and resid 32   and name HD1%)
       4.000     2.000     2.000 peak   988 spectrum    1 weight  0.10000E+01 volume  0.77092E-03 ppm1      7.220 ppm2      0.503 CV     1
  ASSI {  996}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 69   and name HN  ))
       1.900     0.400     0.400 peak   996 spectrum    1 weight  0.10000E+01 volume  0.65422E-02 ppm1      7.561 ppm2      9.012 CV     1
  ASSI {  999}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 34   and name HN  ))
       4.800     2.900     1.200 peak   999 spectrum    1 weight  0.10000E+01 volume  0.12900E-03 ppm1      7.591 ppm2      8.326 CV     1
  ASSI { 1000}
    (( segid "    " and resid 70   and name HN  ))
    (  segid "    " and resid 89   and name HD% )
       3.600     1.600     1.600 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.45765E-03 ppm1      7.565 ppm2      7.040 CV     1
  ASSI { 1007}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 70   and name HA  ))
       2.900     1.100     1.100 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.14820E-02 ppm1      7.561 ppm2      4.956 CV     1
  ASSI { 1013}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 33   and name HA  ))
       3.600     1.600     1.600 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.54673E-03 ppm1      7.603 ppm2      3.920 CV     1
  ASSI { 1014}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 35   and name HG1 ))
       5.100     3.300     0.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.12271E-03 ppm1      7.595 ppm2      2.837 CV     1
  ASSI { 1018}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 68   and name HB  ))
       3.200     1.300     1.300 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.20426E-02 ppm1      7.561 ppm2      2.076 CV     1
  ASSI { 1019}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 68   and name HG11))
       6.000     4.600     0.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.35783E-04 ppm1      7.561 ppm2      1.708 CV     1
  ASSI { 1021}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 32   and name HG  ))
       3.600     1.600     1.600 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.51447E-03 ppm1      7.595 ppm2      1.538 CV     1
  ASSI { 1023}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 88   and name HG12))
       5.000     3.200     1.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.14851E-03 ppm1      7.546 ppm2      0.338 CV     1
  ASSI { 1027}
    (( segid "    " and resid 57   and name HN  ))
    (( segid "    " and resid 53   and name HA  ))
       4.500     2.600     1.500 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.12639E-03 ppm1      8.501 ppm2      4.301 CV     1
  ASSI { 1029}
    (( segid "    " and resid 57   and name HN  ))
    (( segid "    " and resid 54   and name HA  ))
       4.200     2.200     1.800 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.22575E-03 ppm1      8.494 ppm2      2.874 CV     1
  ASSI { 1034}
    (( segid "    " and resid 57   and name HN  ))
    (  segid "    " and resid 73   and name HD2%)
       3.900     1.900     1.900 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.62196E-03 ppm1      8.500 ppm2      0.656 CV     1
  ASSI { 1039}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
       2.500     0.800     0.800 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.25032E-02 ppm1      8.408 ppm2      7.524 CV     1
  ASSI { 1043}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 43   and name HA  ))
       4.400     2.400     1.600 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.30561E-03 ppm1      8.395 ppm2      4.511 CV     1
  ASSI { 1044}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 41   and name HB1 ))
       2.900     1.100     1.100 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.22883E-02 ppm1      8.408 ppm2      3.004 CV     1
  ASSI { 1050}
    (( segid "    " and resid 41   and name HN  ))
    (  segid "    " and resid 42   and name HG2%)
       3.900     1.900     1.900 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.71104E-03 ppm1      8.411 ppm2      1.200 CV     1
  ASSI { 1053}
    (( segid "    " and resid 64   and name HN  ))
    (( segid "    " and resid 63   and name HN  ))
       2.300     0.700     0.700 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.61277E-02 ppm1      7.341 ppm2      7.569 CV     1
  ASSI { 1054}
    (( segid "    " and resid 64   and name HN  ))
    (( segid "    " and resid 62   and name HN  ))
       5.200     3.300     0.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.74790E-04 ppm1      7.337 ppm2      7.059 CV     1
  ASSI { 1059}
    (( segid "    " and resid 64   and name HN  ))
    (( segid "    " and resid 65   and name HA  ))
       5.800     4.300     0.200 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.91989E-04 ppm1      7.348 ppm2      4.976 CV     1
  ASSI { 1062}
    (( segid "    " and resid 64   and name HN  ))
    (( segid "    " and resid 64   and name HA  ))
       2.600     0.900     0.900 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.33326E-02 ppm1      7.340 ppm2      4.068 CV     1
  ASSI { 1066}
    (( segid "    " and resid 64   and name HN  ))
    (( segid "    " and resid 64   and name HB1 ))
       2.200     0.600     0.600 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.10074E-01 ppm1      7.340 ppm2      1.842 CV     1
  ASSI { 1075}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 59   and name HB1 ))
       2.500     0.800     0.800 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.43308E-02 ppm1      8.155 ppm2      2.762 CV     1
  ASSI { 1076}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 59   and name HB2 ))
       2.400     0.700     0.700 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.40390E-02 ppm1      8.155 ppm2      2.135 CV     1
  ASSI { 1077}
    (( segid "    " and resid 59   and name HN  ))
    (  segid "    " and resid 58   and name HB% )
       2.600     0.800     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.31329E-02 ppm1      8.154 ppm2      1.604 CV     1
  ASSI { 1078}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 62   and name HB1 ))
       4.100     2.100     1.900 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.36244E-03 ppm1      8.152 ppm2      1.236 CV     1
  ASSI { 1079}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 62   and name HB2 ))
       4.300     2.300     1.700 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.30408E-03 ppm1      8.141 ppm2      1.164 CV     1
  ASSI { 1080}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 21   and name HG11))
       6.000     6.000     0.000 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.26415E-05 ppm1      8.155 ppm2      0.971 CV     1
  ASSI { 1097}
    (( segid "    " and resid 67   and name HN  ))
    (( segid "    " and resid 65   and name HA  ))
       3.800     1.800     1.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.32404E-03 ppm1      7.606 ppm2      4.954 CV     1
  ASSI { 1105}
    (( segid "    " and resid 67   and name HN  ))
    (( segid "    " and resid 65   and name HB1 ))
       3.300     1.300     1.300 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.34708E-03 ppm1      7.628 ppm2      3.051 CV     1
  ASSI { 1106}
    (( segid "    " and resid 67   and name HN  ))
    (( segid "    " and resid 67   and name HE1 ))
       3.600     1.600     1.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.44383E-03 ppm1      7.616 ppm2      3.032 CV     1
  ASSI { 1111}
    (( segid "    " and resid 67   and name HN  ))
    (  segid "    " and resid 68   and name HG2%)
       6.000     4.800     0.000 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.61889E-04 ppm1      7.618 ppm2      1.047 CV     1
  ASSI { 1113}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 27   and name HN  ))
       2.700     0.900     0.900 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.29179E-02 ppm1      7.280 ppm2      6.862 CV     1
  ASSI { 1117}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 25   and name HA1 ))
       6.000     5.000     0.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.23190E-04 ppm1      7.295 ppm2      4.063 CV     1
  ASSI { 1119}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 29   and name HB1 ))
       4.100     2.100     1.900 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.97059E-03 ppm1      7.251 ppm2      3.054 CV     1
  ASSI { 1121}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 29   and name HB2 ))
       6.000     5.800     0.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.35476E-04 ppm1      7.284 ppm2      2.483 CV     1
  ASSI { 1124}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 28   and name HB2 ))
       2.900     1.100     1.100 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.14866E-02 ppm1      7.280 ppm2      1.722 CV     1
  ASSI { 1125}
    (( segid "    " and resid 28   and name HN  ))
    (  segid "    " and resid 27   and name HB% )
       3.000     1.100     1.100 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.19504E-02 ppm1      7.281 ppm2      0.769 CV     1
  ASSI { 1131}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 65   and name HA  ))
       3.000     1.100     1.100 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.15972E-02 ppm1      7.475 ppm2      4.959 CV     1
  ASSI { 1135}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 61   and name HA  ))
       2.600     2.600     3.400 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.16432E-02 ppm1      7.475 ppm2      4.027 CV     1
  ASSI { 1137}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 65   and name HB1 ))
       3.300     1.400     1.400 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.87538E-03 ppm1      7.476 ppm2      3.041 CV     1
  ASSI { 1138}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 65   and name HB2 ))
       3.900     1.900     1.900 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.60664E-03 ppm1      7.475 ppm2      2.728 CV     1
  ASSI { 1139}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 64   and name HB1 ))
       2.600     0.800     0.800 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.40851E-02 ppm1      7.475 ppm2      1.845 CV     1
  ASSI { 1140}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 68   and name HG12))
       4.900     3.000     1.100 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.96446E-04 ppm1      7.477 ppm2      1.523 CV     1
  ASSI { 1156}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 19   and name HA  ))
       3.100     1.200     1.200 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.13131E-02 ppm1      7.080 ppm2      3.924 CV     1
  ASSI { 1158}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 17   and name HD2 ))
       5.200     3.300     0.800 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.75249E-04 ppm1      7.114 ppm2      3.394 CV     1
  ASSI { 1161}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 20   and name HB2 ))
       2.200     0.600     0.600 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.66959E-02 ppm1      7.116 ppm2      1.724 CV     1
  ASSI { 1163}
    (( segid "    " and resid 20   and name HN  ))
    (  segid "    " and resid 21   and name HG2%)
       4.900     3.000     1.100 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.19043E-03 ppm1      7.116 ppm2      0.735 CV     1
  ASSI { 1167}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 18   and name HN  ))
       2.900     1.100     1.100 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.16432E-02 ppm1      8.967 ppm2      9.223 CV     1
  ASSI { 1170}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 91   and name HA  ))
       4.500     2.500     1.500 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.25186E-03 ppm1      8.964 ppm2      4.372 CV     1
  ASSI { 1172}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 89   and name HB1 ))
       5.000     3.200     1.000 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.19504E-03 ppm1      8.955 ppm2      2.940 CV     1
  ASSI { 1174}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 17   and name HG1 ))
       5.000     3.100     1.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.14114E-03 ppm1      8.961 ppm2      2.239 CV     1
  ASSI { 1181}
    (( segid "    " and resid 40   and name HD21))
    (( segid "    " and resid 51   and name HN  ))
       4.100     2.100     1.900 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.38701E-03 ppm1      7.741 ppm2      8.053 CV     1
  ASSI { 1184}
    (( segid "    " and resid 40   and name HD21))
    (( segid "    " and resid 40   and name HD22))
       1.900     0.400     0.400 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.70645E-02 ppm1      7.748 ppm2      7.011 CV     1
  ASSI { 1187}
    (( segid "    " and resid 40   and name HD21))
    (( segid "    " and resid 48   and name HA  ))
       3.400     1.500     1.500 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.28565E-02 ppm1      7.715 ppm2      5.007 CV     1
  ASSI { 1188}
    (( segid "    " and resid 40   and name HD21))
    (( segid "    " and resid 40   and name HA  ))
       2.000     0.500     0.500 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.11488E-01 ppm1      7.729 ppm2      4.785 CV     1
  ASSI { 1189}
    (( segid "    " and resid 81   and name HN  ))
    (( segid "    " and resid 82   and name HA  ))
       4.500     2.600     1.500 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.32251E-03 ppm1      7.715 ppm2      4.502 CV     1
  ASSI { 1194}
    (( segid "    " and resid 40   and name HD21))
    (( segid "    " and resid 40   and name HB2 ))
       3.900     1.900     1.900 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.25954E-03 ppm1      7.745 ppm2      2.945 CV     1
  ASSI { 1204}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 50   and name HA  ))
       4.100     2.100     1.900 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.24112E-03 ppm1      8.077 ppm2      4.148 CV     1
  ASSI { 1207}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 51   and name HB1 ))
       2.400     0.700     0.700 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.36244E-02 ppm1      8.078 ppm2      2.263 CV     1
  ASSI { 1208}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 55   and name HG11))
       3.900     3.900     2.100 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.57438E-03 ppm1      8.077 ppm2      1.837 CV     1
  ASSI { 1209}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 51   and name HB2 ))
       3.300     1.300     1.300 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.19350E-02 ppm1      8.078 ppm2      1.611 CV     1
  ASSI { 1211}
    (( segid "    " and resid 51   and name HN  ))
    (  segid "    " and resid 14   and name HD1%)
       4.400     2.500     1.600 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.29947E-03 ppm1      8.074 ppm2      0.822 CV     1
  ASSI { 1221}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 41   and name HB2 ))
       4.100     2.100     1.900 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.37012E-03 ppm1      7.532 ppm2      2.643 CV     1
  ASSI { 1223}
    (( segid "    " and resid 42   and name HN  ))
    (  segid "    " and resid 42   and name HG2%)
       2.900     1.100     1.100 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.19350E-02 ppm1      7.535 ppm2      1.172 CV     1
  ASSI { 1227}
    (( segid "    " and resid 77   and name HN  ))
    (( segid "    " and resid 78   and name HN  ))
       3.700     1.700     1.700 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.64192E-03 ppm1      9.716 ppm2      7.945 CV     1
  ASSI { 1233}
    (( segid "    " and resid 77   and name HN  ))
    (( segid "    " and resid 75   and name HA  ))
       6.000     6.000     0.000 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.18736E-05 ppm1      9.714 ppm2      3.921 CV     1
  ASSI { 1234}
    (( segid "    " and resid 77   and name HN  ))
    (( segid "    " and resid 76   and name HB2 ))
       2.700     0.900     0.900 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.19965E-02 ppm1      9.714 ppm2      1.816 CV     1
  ASSI { 1239}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 38   and name HN  ))
       4.400     2.400     1.600 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.15189E-03 ppm1      7.832 ppm2      8.529 CV     1
  ASSI { 1241}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 36   and name HN  ))
       2.800     1.000     1.000 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.20272E-02 ppm1      7.834 ppm2      7.573 CV     1
  ASSI { 1247}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 37   and name HA1 ))
       2.400     0.700     0.700 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.49298E-02 ppm1      7.832 ppm2      3.952 CV     1
  ASSI { 1255}
    (( segid "    " and resid 53   and name HE1 ))
    (( segid "    " and resid 76   and name HN  ))
       3.600     1.600     1.600 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.55289E-03 ppm1     10.346 ppm2     10.060 CV     1
  ASSI { 1258}
    (( segid "    " and resid 53   and name HE1 ))
    (( segid "    " and resid 53   and name HZ2 ))
       2.800     0.900     0.900 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.21961E-02 ppm1     10.343 ppm2      7.519 CV     1
  ASSI { 1266}
    (( segid "    " and resid 53   and name HE1 ))
    (( segid "    " and resid 45   and name HG1 ))
       3.700     1.700     1.700 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.43155E-03 ppm1     10.341 ppm2      0.638 CV     1
  ASSI { 1267}
    (( segid "    " and resid 53   and name HE1 ))
    (( segid "    " and resid 45   and name HG2 ))
       4.800     2.800     1.200 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.15050E-03 ppm1     10.346 ppm2      0.239 CV     1
  ASSI { 1277}
    (( segid "    " and resid 84   and name HE22))
    (( segid "    " and resid 83   and name HN  ))
       3.500     3.500     2.500 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.24572E-03 ppm1      6.504 ppm2      7.723 CV     1
  ASSI { 1283}
    (( segid "    " and resid 84   and name HE22))
    (( segid "    " and resid 82   and name HA  ))
       4.300     2.400     1.700 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.17661E-03 ppm1      6.514 ppm2      4.554 CV     1
  ASSI { 1286}
    (( segid "    " and resid 84   and name HE22))
    (( segid "    " and resid 84   and name HG1 ))
       3.900     1.900     1.900 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.94297E-03 ppm1      6.508 ppm2      2.212 CV     1
  ASSI { 1287}
    (( segid "    " and resid 84   and name HE22))
    (( segid "    " and resid 84   and name HB2 ))
       6.000     6.000     0.000 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.27644E-04 ppm1      6.505 ppm2      1.937 CV     1
  ASSI { 1288}
    (( segid "    " and resid 80   and name HD22))
    (( segid "    " and resid 80   and name HD21))
       2.000     0.500     0.500 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.56825E-02 ppm1      6.740 ppm2      7.848 CV     1
  ASSI { 1293}
    (( segid "    " and resid 80   and name HD22))
    (( segid "    " and resid 80   and name HA  ))
       3.300     1.300     1.300 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.19811E-02 ppm1      6.741 ppm2      4.791 CV     1
  ASSI { 1294}
    (( segid "    " and resid 80   and name HD22))
    (( segid "    " and resid 45   and name HA  ))
       3.700     1.700     1.700 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.32404E-03 ppm1      6.738 ppm2      4.316 CV     1
  ASSI { 1295}
    (( segid "    " and resid 80   and name HD22))
    (( segid "    " and resid 75   and name HD1 ))
       5.300     3.500     0.700 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.24265E-03 ppm1      6.742 ppm2      4.271 CV     1
  ASSI { 1303}
    (( segid "    " and resid 40   and name HD22))
    (( segid "    " and resid 48   and name HA  ))
       2.800     1.000     1.000 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.14068E-02 ppm1      7.015 ppm2      4.996 CV     1
  ASSI { 1304}
    (( segid "    " and resid 40   and name HD22))
    (( segid "    " and resid 40   and name HA  ))
       3.500     1.600     1.600 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.32097E-02 ppm1      7.017 ppm2      4.784 CV     1
  ASSI { 1307}
    (( segid "    " and resid 40   and name HD22))
    (( segid "    " and resid 47   and name HA1 ))
       6.000     5.900     0.000 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.17200E-04 ppm1      7.013 ppm2      4.009 CV     1
  ASSI { 1309}
    (( segid "    " and resid 40   and name HD22))
    (( segid "    " and resid 51   and name HA  ))
       4.900     3.000     1.100 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.18275E-03 ppm1      7.033 ppm2      3.833 CV     1
  ASSI { 1311}
    (( segid "    " and resid 40   and name HD22))
    (( segid "    " and resid 40   and name HB2 ))
       4.500     2.600     1.500 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.30255E-03 ppm1      7.007 ppm2      2.893 CV     1
  ASSI { 1317}
    (( segid "    " and resid 34   and name HD22))
    (( segid "    " and resid 30   and name HN  ))
       4.700     2.700     1.300 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.41619E-04 ppm1      7.041 ppm2      9.089 CV     1
  ASSI { 1318}
    (( segid "    " and resid 65   and name HD22))
    (( segid "    " and resid 69   and name HN  ))
       5.300     3.500     0.700 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.15665E-03 ppm1      7.070 ppm2      9.054 CV     1
  ASSI { 1322}
    (( segid "    " and resid 34   and name HD22))
    (( segid "    " and resid 34   and name HN  ))
       4.400     2.500     1.600 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.20579E-03 ppm1      7.046 ppm2      8.315 CV     1
  ASSI { 1323}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 31   and name HN  ))
       3.900     3.900     2.100 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.12209E-03 ppm1      7.081 ppm2      8.314 CV     1
  ASSI { 1325}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 35   and name HE21))
       1.600     0.300     0.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.22115E-01 ppm1      7.048 ppm2      7.862 CV     1
  ASSI { 1327}
    (( segid "    " and resid 65   and name HD22))
    (( segid "    " and resid 64   and name HN  ))
       3.800     3.800     2.200 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.50987E-03 ppm1      7.058 ppm2      7.329 CV     1
  ASSI { 1331}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 15   and name HA  ))
       3.700     3.700     2.300 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.17200E-03 ppm1      7.051 ppm2      5.217 CV     1
  ASSI { 1335}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 17   and name HA  ))
       2.500     2.500     3.500 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.18429E-02 ppm1      7.055 ppm2      4.788 CV     1
  ASSI { 1337}
    (( segid "    " and resid 34   and name HD22))
    (( segid "    " and resid 31   and name HA  ))
       4.300     2.300     1.700 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.24726E-03 ppm1      7.048 ppm2      4.150 CV     1
  ASSI { 1338}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 32   and name HA  ))
       5.100     3.300     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.99514E-04 ppm1      7.070 ppm2      3.934 CV     1
  ASSI { 1340}
    (( segid "    " and resid 34   and name HD22))
    (( segid "    " and resid 34   and name HB1 ))
       4.100     2.100     1.900 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.75408E-03 ppm1      7.063 ppm2      3.023 CV     1
  ASSI { 1341}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 16   and name HB1 ))
       3.000     3.000     3.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.88921E-03 ppm1      7.050 ppm2      2.931 CV     1
  ASSI { 1343}
    (( segid "    " and resid 34   and name HD22))
    (( segid "    " and resid 30   and name HG1 ))
       4.300     2.300     1.700 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.31329E-03 ppm1      7.048 ppm2      2.375 CV     1
  ASSI { 1346}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 31   and name HB1 ))
       4.300     2.300     1.700 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.13852E-03 ppm1      7.068 ppm2      1.790 CV     1
  ASSI { 1348}
    (( segid "    " and resid 65   and name HD22))
    (( segid "    " and resid 62   and name HB1 ))
       6.000     4.600     0.000 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.38087E-04 ppm1      7.075 ppm2      1.276 CV     1
  ASSI { 1362}
    (( segid "    " and resid 80   and name HD21))
    (( segid "    " and resid 80   and name HA  ))
       3.200     1.300     1.300 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.20579E-02 ppm1      7.861 ppm2      4.785 CV     1
  ASSI { 1364}
    (( segid "    " and resid 80   and name HD21))
    (( segid "    " and resid 45   and name HA  ))
       4.600     2.600     1.400 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.32865E-03 ppm1      7.877 ppm2      4.347 CV     1
  ASSI { 1368}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 15   and name HN  ))
       5.500     3.800     0.500 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.15127E-04 ppm1      7.869 ppm2      8.915 CV     1
  ASSI { 1373}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 35   and name HG1 ))
       3.000     1.200     1.200 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.10827E-02 ppm1      7.874 ppm2      2.868 CV     1
  ASSI { 1380}
    (( segid "    " and resid 65   and name HD21))
    (( segid "    " and resid 65   and name HA  ))
       4.200     2.200     1.800 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.32558E-03 ppm1      7.740 ppm2      4.994 CV     1
  ASSI { 1384}
    (( segid "    " and resid 65   and name HD21))
    (( segid "    " and resid 65   and name HB2 ))
       2.800     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.10704E-02 ppm1      7.740 ppm2      2.724 CV     1
  ASSI { 1385}
    (( segid "    " and resid 65   and name HD21))
    (( segid "    " and resid 68   and name HB  ))
       5.400     3.600     0.600 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.17815E-03 ppm1      7.732 ppm2      2.079 CV     1
  ASSI { 1386}
    (( segid "    " and resid 65   and name HD21))
    (( segid "    " and resid 67   and name HB2 ))
       3.600     1.600     1.600 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.40544E-03 ppm1      7.745 ppm2      1.808 CV     1
  ASSI { 1387}
    (( segid "    " and resid 65   and name HD21))
    (  segid "    " and resid 68   and name HG2%)
       3.200     1.300     1.300 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.58357E-03 ppm1      7.739 ppm2      1.030 CV     1
  ASSI { 1394}
    (( segid "    " and resid 34   and name HD21))
    (( segid "    " and resid 35   and name HE21))
       3.200     3.200     2.800 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.12993E-02 ppm1      7.606 ppm2      7.869 CV     1
  ASSI { 1395}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 84   and name HN  ))
       3.300     3.300     2.700 peak  1395 spectrum    1 weight  0.11000E+01 volume  0.12609E-02 ppm1      8.609 ppm2      8.334 CV     1
  ASSI { 1396}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 85   and name HA  ))
       3.100     1.200     1.200 peak  1396 spectrum    1 weight  0.11000E+01 volume  0.96599E-03 ppm1      8.620 ppm2      5.291 CV     1
  ASSI { 1398}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 87   and name HA  ))
       3.300     1.400     1.400 peak  1398 spectrum    1 weight  0.11000E+01 volume  0.74943E-03 ppm1      8.602 ppm2      4.240 CV     1
  ASSI { 1399}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 89   and name HA  ))
       2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.11000E+01 volume  0.21654E-02 ppm1      8.761 ppm2      5.649 CV     1
  ASSI { 1403}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 22   and name HN  ))
       2.500     0.800     0.800 peak  1403 spectrum    1 weight  0.11000E+01 volume  0.41926E-02 ppm1      6.730 ppm2      7.749 CV     1
  ASSI { 1404}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 23   and name HN  ))
       4.800     2.900     1.200 peak  1404 spectrum    1 weight  0.11000E+01 volume  0.25493E-03 ppm1      8.834 ppm2      6.726 CV     1
  ASSI { 1406}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 24   and name HN  ))
       3.400     1.400     1.400 peak  1406 spectrum    1 weight  0.11000E+01 volume  0.58510E-03 ppm1      8.430 ppm2      8.839 CV     1
  ASSI { 1407}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 26   and name HN  ))
       3.400     1.500     1.500 peak  1407 spectrum    1 weight  0.11000E+01 volume  0.61277E-03 ppm1      8.435 ppm2      7.267 CV     1
  ASSI { 1412}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 31   and name HN  ))
       2.900     1.000     1.000 peak  1412 spectrum    1 weight  0.11000E+01 volume  0.14728E-02 ppm1      9.082 ppm2      8.316 CV     1
  ASSI { 1413}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 31   and name HN  ))
       2.500     0.800     0.800 peak  1413 spectrum    1 weight  0.11000E+01 volume  0.35476E-02 ppm1      7.221 ppm2      8.317 CV     1
  ASSI { 1415}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 32   and name HN  ))
       2.600     0.800     0.800 peak  1415 spectrum    1 weight  0.11000E+01 volume  0.26569E-02 ppm1      6.940 ppm2      7.217 CV     1
  ASSI { 1416}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 34   and name HN  ))
       2.800     1.000     1.000 peak  1416 spectrum    1 weight  0.11000E+01 volume  0.17200E-02 ppm1      6.940 ppm2      8.317 CV     1
  ASSI { 1424}
    (( segid "    " and resid 53   and name HE1 ))
    (  segid "    " and resid 73   and name HD2%)
       4.100     2.100     1.900 peak  1424 spectrum    1 weight  0.11000E+01 volume  0.49912E-03 ppm1     10.344 ppm2      0.640 CV     1
  ASSI { 1425}
    (( segid "    " and resid 53   and name HN  ))
    (( segid "    " and resid 52   and name HN  ))
       2.700     0.900     0.900 peak  1425 spectrum    1 weight  0.11000E+01 volume  0.26415E-02 ppm1      8.611 ppm2      7.093 CV     1
  ASSI { 1427}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 54   and name HN  ))
       2.700     0.900     0.900 peak  1427 spectrum    1 weight  0.11000E+01 volume  0.25340E-02 ppm1      7.574 ppm2      8.349 CV     1
  ASSI { 1428}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 55   and name HN  ))
       2.600     0.900     0.900 peak  1428 spectrum    1 weight  0.11000E+01 volume  0.27029E-02 ppm1      8.354 ppm2      7.547 CV     1
  ASSI { 1430}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 58   and name HN  ))
       2.300     0.700     0.700 peak  1430 spectrum    1 weight  0.11000E+01 volume  0.55289E-02 ppm1      8.154 ppm2      8.603 CV     1
  ASSI { 1431}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 60   and name HN  ))
       2.700     0.900     0.900 peak  1431 spectrum    1 weight  0.11000E+01 volume  0.23190E-02 ppm1      7.896 ppm2      8.611 CV     1
  ASSI { 1432}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 62   and name HN  ))
       2.500     0.800     0.800 peak  1432 spectrum    1 weight  0.11000E+01 volume  0.37626E-02 ppm1      7.897 ppm2      7.078 CV     1
  ASSI { 1435}
    (( segid "    " and resid 63   and name HN  ))
    (( segid "    " and resid 62   and name HN  ))
       2.600     0.800     0.800 peak  1435 spectrum    1 weight  0.11000E+01 volume  0.32712E-02 ppm1      7.596 ppm2      7.073 CV     1
  ASSI { 1438}
    (( segid "    " and resid 86   and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       4.200     2.200     1.800 peak  1438 spectrum    1 weight  0.11000E+01 volume  0.28104E-03 ppm1      9.347 ppm2      8.586 CV     1
  ASSI { 1439}
    (( segid "    " and resid 87   and name HN  ))
    (( segid "    " and resid 71   and name HN  ))
       2.900     1.100     1.100 peak  1439 spectrum    1 weight  0.11000E+01 volume  0.15511E-02 ppm1      8.725 ppm2      8.965 CV     1
  ASSI { 1441}
    (( segid "    " and resid 87   and name HN  ))
    (( segid "    " and resid 72   and name HA  ))
       3.200     3.200     2.800 peak  1441 spectrum    1 weight  0.11000E+01 volume  0.14021E-02 ppm1      8.723 ppm2      5.586 CV     1
  ASSI { 1442}
    (( segid "    " and resid 88   and name HN  ))
    (( segid "    " and resid 15   and name HA  ))
       2.900     1.100     1.100 peak  1442 spectrum    1 weight  0.11000E+01 volume  0.14452E-02 ppm1      8.605 ppm2      5.262 CV     1
  ASSI {    3}
    (( segid "    " and resid 19   and name HE1 ))
    (( segid "    " and resid 19   and name HD1 ))
       1.700     0.400     0.500 peak     3 spectrum    1 weight  0.10000E+01 volume  0.43470E-01 ppm1      2.986 ppm2      1.682 CV     1
  ASSI {    4}
    (( segid "    " and resid 74   and name HE1 ))
    (( segid "    " and resid 84   and name HA  ))
       1.900     1.900     4.100 peak     4 spectrum    1 weight  0.10000E+01 volume  0.34060E-01 ppm1      2.990 ppm2      4.810 CV     1
  ASSI {    5}
    (( segid "    " and resid 47   and name HA2 ))
    (( segid "    " and resid 47   and name HA1 ))
       1.500     0.300     0.700 peak     5 spectrum    1 weight  0.10000E+01 volume  0.33061E-01 ppm1      3.617 ppm2      4.010 CV     1
  ASSI {   13}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 64   and name HB1 ))
       2.400     2.400     3.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.17072E-01 ppm1      3.690 ppm2      1.856 CV     1
  ASSI {   15}
    (( segid "    " and resid 74   and name HE1 ))
    (( segid "    " and resid 74   and name HG1 ))
       2.000     0.500     0.500 peak    15 spectrum    1 weight  0.10000E+01 volume  0.15323E-01 ppm1      2.982 ppm2      1.452 CV     1
  OR {   15}
    (( segid "    " and resid 74   and name HE1 ))
    (( segid "    " and resid 74   and name HG2 ))
  ASSI {   16}
    (  segid "    " and resid 36   and name HE% )
    (( segid "    " and resid 51   and name HB1 ))
       2.000     0.500     0.500 peak    16 spectrum    1 weight  0.10000E+01 volume  0.14074E-01 ppm1      1.937 ppm2      2.245 CV     1
  ASSI {   18}
    (( segid "    " and resid 31   and name HB1 ))
    (( segid "    " and resid 31   and name HB2 ))
       1.700     0.400     0.500 peak    18 spectrum    1 weight  0.10000E+01 volume  0.13991E-01 ppm1      1.812 ppm2      1.657 CV     1
  ASSI {   27}
    (( segid "    " and resid 25   and name HA1 ))
    (( segid "    " and resid 25   and name HA2 ))
       1.800     0.400     0.400 peak    27 spectrum    1 weight  0.10000E+01 volume  0.11992E-01 ppm1      4.077 ppm2      3.640 CV     1
  ASSI {   28}
    (( segid "    " and resid 19   and name HB1 ))
    (( segid "    " and resid 19   and name HA  ))
       2.100     0.600     0.600 peak    28 spectrum    1 weight  0.10000E+01 volume  0.11909E-01 ppm1      1.782 ppm2      3.900 CV     1
  ASSI {   33}
    (( segid "    " and resid 49   and name HD1 ))
    (( segid "    " and resid 49   and name HD2 ))
       1.700     0.400     0.500 peak    33 spectrum    1 weight  0.10000E+01 volume  0.11159E-01 ppm1      3.918 ppm2      3.622 CV     1
  ASSI {   34}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 40   and name HB1 ))
       1.800     0.400     0.400 peak    34 spectrum    1 weight  0.10000E+01 volume  0.10993E-01 ppm1      2.914 ppm2      3.072 CV     1
  ASSI {   36}
    (( segid "    " and resid 74   and name HD1 ))
    (( segid "    " and resid 84   and name HA  ))
       2.300     2.300     3.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.10909E-01 ppm1      1.684 ppm2      4.809 CV     1
  ASSI {   37}
    (( segid "    " and resid 66   and name HB2 ))
    (( segid "    " and resid 66   and name HB1 ))
       1.800     0.400     0.400 peak    37 spectrum    1 weight  0.10000E+01 volume  0.10826E-01 ppm1      1.907 ppm2      2.371 CV     1
  ASSI {   38}
    (( segid "    " and resid 28   and name HB1 ))
    (( segid "    " and resid 28   and name HB2 ))
       1.800     0.400     0.400 peak    38 spectrum    1 weight  0.10000E+01 volume  0.10826E-01 ppm1      2.181 ppm2      1.699 CV     1
  ASSI {   41}
    (( segid "    " and resid 74   and name HG2 ))
    (  segid "    " and resid 78   and name HG1%)
       2.400     2.400     3.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.10576E-01 ppm1      1.456 ppm2      0.938 CV     1
  OR {   41}
    (( segid "    " and resid 74   and name HG1 ))
    (  segid "    " and resid 78   and name HG1%)
  ASSI {   45}
    (  segid "    " and resid 31   and name HD1%)
    (( segid "    " and resid 31   and name HG  ))
       2.200     0.600     0.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.10160E-01 ppm1      0.825 ppm2      1.657 CV     1
  ASSI {   47}
    (  segid "    " and resid 12   and name HG1%)
    (  segid "    " and resid 39   and name HG2%)
       2.200     0.600     0.600 peak    47 spectrum    1 weight  0.10000E+01 volume  0.98267E-02 ppm1      0.923 ppm2      1.107 CV     1
  ASSI {   48}
    (( segid "    " and resid 90   and name HB1 ))
    (( segid "    " and resid 90   and name HB2 ))
       1.900     0.500     0.500 peak    48 spectrum    1 weight  0.10000E+01 volume  0.97430E-02 ppm1      2.835 ppm2      2.483 CV     1
  ASSI {   50}
    (( segid "    " and resid 27   and name HA  ))
    (  segid "    " and resid 27   and name HB% )
       2.200     0.600     0.600 peak    50 spectrum    1 weight  0.10000E+01 volume  0.95768E-02 ppm1      3.440 ppm2      0.751 CV     1
  ASSI {   51}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 44   and name HB1 ))
       2.000     2.000     4.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.94937E-02 ppm1      0.515 ppm2      1.719 CV     1
  ASSI {   52}
    (( segid "    " and resid 18   and name HG  ))
    (  segid "    " and resid 18   and name HD1%)
       2.200     0.600     0.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.94937E-02 ppm1      1.422 ppm2      0.706 CV     1
  ASSI {   54}
    (  segid "    " and resid 58   and name HB% )
    (  segid "    " and resid 16   and name HD% )
       2.200     2.200     3.800 peak    54 spectrum    1 weight  0.10000E+01 volume  0.94100E-02 ppm1      1.590 ppm2      6.972 CV     1
  ASSI {   55}
    (( segid "    " and resid 80   and name HB1 ))
    (( segid "    " and resid 80   and name HB2 ))
       1.800     0.400     0.400 peak    55 spectrum    1 weight  0.10000E+01 volume  0.94100E-02 ppm1      2.903 ppm2      2.663 CV     1
  ASSI {   56}
    (  segid "    " and resid 36   and name HE% )
    (  segid "    " and resid 54   and name HG1%)
       2.200     0.600     0.600 peak    56 spectrum    1 weight  0.11000E+01 volume  0.93269E-02 ppm1      1.937 ppm2      0.546 CV     1
  ASSI {   57}
    (  segid "    " and resid 14   and name HD1%)
    (( segid "    " and resid 14   and name HB  ))
       2.200     0.600     0.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.92438E-02 ppm1      0.818 ppm2      1.255 CV     1
  ASSI {   58}
    (  segid "    " and resid 87   and name HG2%)
    (( segid "    " and resid 87   and name HB  ))
       2.200     0.600     0.600 peak    58 spectrum    1 weight  0.10000E+01 volume  0.91606E-02 ppm1      0.234 ppm2      1.685 CV     1
  ASSI {   59}
    (  segid "    " and resid 88   and name HG2%)
    (( segid "    " and resid 88   and name HB  ))
       2.100     0.600     0.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.91606E-02 ppm1      0.707 ppm2      0.128 CV     1
  ASSI {   64}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 33   and name HA  ))
       2.200     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.88270E-02 ppm1      1.602 ppm2      3.920 CV     1
  ASSI {   66}
    (  segid "    " and resid 12   and name HG1%)
    (( segid "    " and resid 39   and name HA  ))
       2.500     2.500     3.500 peak    66 spectrum    1 weight  0.10000E+01 volume  0.87439E-02 ppm1      0.945 ppm2      4.079 CV     1
  ASSI {   68}
    (  segid "    " and resid 78   and name HG1%)
    (( segid "    " and resid 78   and name HA  ))
       2.300     0.700     0.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.84940E-02 ppm1      0.942 ppm2      4.007 CV     1
  ASSI {   71}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 18   and name HB1 ))
       1.800     0.400     0.400 peak    71 spectrum    1 weight  0.10000E+01 volume  0.84109E-02 ppm1      1.293 ppm2      1.785 CV     1
  ASSI {   72}
    (( segid "    " and resid 32   and name HB1 ))
    (( segid "    " and resid 32   and name HB2 ))
       1.800     0.400     0.400 peak    72 spectrum    1 weight  0.10000E+01 volume  0.83277E-02 ppm1      1.988 ppm2      0.892 CV     1
  ASSI {   73}
    (  segid "    " and resid 54   and name HG2%)
    (  segid "    " and resid 14   and name HD1%)
       2.400     0.700     0.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.82528E-02 ppm1      0.480 ppm2      0.850 CV     1
  ASSI {   74}
    (( segid "    " and resid 33   and name HB1 ))
    (( segid "    " and resid 33   and name HA  ))
       2.400     0.700     0.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.82359E-02 ppm1      1.666 ppm2      3.918 CV     1
  ASSI {   77}
    (( segid "    " and resid 20   and name HD1 ))
    (( segid "    " and resid 20   and name HG1 ))
       2.300     0.700     0.700 peak    77 spectrum    1 weight  0.10000E+01 volume  0.80860E-02 ppm1      3.119 ppm2      1.666 CV     1
  ASSI {   79}
    (( segid "    " and resid 57   and name HB1 ))
    (  segid "    " and resid 73   and name HD1%)
       2.200     2.200     3.800 peak    79 spectrum    1 weight  0.11000E+01 volume  0.79860E-02 ppm1      2.270 ppm2      0.662 CV     1
  ASSI {   80}
    (  segid "    " and resid 23   and name HB% )
    (( segid "    " and resid 23   and name HN  ))
       2.300     0.600     0.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.79695E-02 ppm1      1.549 ppm2      6.714 CV     1
  ASSI {   81}
    (  segid "    " and resid 62   and name HD2%)
    (( segid "    " and resid 62   and name HG  ))
       2.200     0.600     0.600 peak    81 spectrum    1 weight  0.10000E+01 volume  0.79028E-02 ppm1      0.295 ppm2      1.170 CV     1
  ASSI {   82}
    (  segid "    " and resid 58   and name HB% )
    (( segid "    " and resid 58   and name HA  ))
       2.200     0.600     0.600 peak    82 spectrum    1 weight  0.10000E+01 volume  0.78361E-02 ppm1      1.586 ppm2      4.014 CV     1
  ASSI {   83}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 40   and name HB2 ))
       1.900     1.900     4.100 peak    83 spectrum    1 weight  0.10000E+01 volume  0.77530E-02 ppm1      2.621 ppm2      2.926 CV     1
  ASSI {   85}
    (  segid "    " and resid 36   and name HE% )
    (  segid "    " and resid 39   and name HG2%)
       2.400     0.700     0.700 peak    85 spectrum    1 weight  0.10000E+01 volume  0.77196E-02 ppm1      1.937 ppm2      1.100 CV     1
  ASSI {   86}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 50   and name HG  ))
       2.200     0.600     0.600 peak    86 spectrum    1 weight  0.10000E+01 volume  0.76529E-02 ppm1      1.047 ppm2      1.583 CV     1
  ASSI {   87}
    (( segid "    " and resid 50   and name HB1 ))
    (( segid "    " and resid 50   and name HB2 ))
       1.800     0.400     0.400 peak    87 spectrum    1 weight  0.10000E+01 volume  0.75949E-02 ppm1      2.241 ppm2      1.649 CV     1
  ASSI {   89}
    (( segid "    " and resid 74   and name HB2 ))
    (( segid "    " and resid 74   and name HB1 ))
       1.900     0.500     0.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.75446E-02 ppm1      1.795 ppm2      1.991 CV     1
  ASSI {   90}
    (  segid "    " and resid 88   and name HD1%)
    (  segid "    " and resid 88   and name HG2%)
       2.400     0.700     0.700 peak    90 spectrum    1 weight  0.10000E+01 volume  0.75200E-02 ppm1      0.015 ppm2      0.709 CV     1
  ASSI {   91}
    (  segid "    " and resid 87   and name HG2%)
    (  segid "    " and resid 87   and name HG1%)
       2.300     0.700     0.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.75113E-02 ppm1      0.234 ppm2      0.524 CV     1
  ASSI {   92}
    (  segid "    " and resid 12   and name HG1%)
    (( segid "    " and resid 14   and name HB  ))
       2.700     2.700     3.300 peak    92 spectrum    1 weight  0.10000E+01 volume  0.74697E-02 ppm1      0.939 ppm2      1.231 CV     1
  ASSI {   93}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 12   and name HB  ))
       2.300     0.600     0.600 peak    93 spectrum    1 weight  0.10000E+01 volume  0.74533E-02 ppm1      0.813 ppm2      1.930 CV     1
  ASSI {  106}
    (  segid "    " and resid 48   and name HE% )
    (  segid "    " and resid 52   and name HB% )
       2.400     0.700     0.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.70787E-02 ppm1      2.151 ppm2      1.556 CV     1
  ASSI {  108}
    (( segid "    " and resid 68   and name HG11))
    (( segid "    " and resid 68   and name HG12))
       1.800     0.400     0.400 peak   108 spectrum    1 weight  0.10000E+01 volume  0.69868E-02 ppm1      1.743 ppm2      1.474 CV     1
  ASSI {  109}
    (( segid "    " and resid 42   and name HB  ))
    (( segid "    " and resid 43   and name HA  ))
       2.400     2.400     3.600 peak   109 spectrum    1 weight  0.10000E+01 volume  0.69704E-02 ppm1      4.146 ppm2      4.550 CV     1
  ASSI {  110}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 45   and name HG2 ))
       2.000     2.000     4.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.69535E-02 ppm1      0.517 ppm2      0.223 CV     1
  ASSI {  114}
    (  segid "    " and resid 12   and name HG1%)
    (( segid "    " and resid 12   and name HB  ))
       2.300     0.700     0.700 peak   114 spectrum    1 weight  0.10000E+01 volume  0.69037E-02 ppm1      0.947 ppm2      1.896 CV     1
  ASSI {  115}
    (( segid "    " and resid 66   and name HB1 ))
    (( segid "    " and resid 66   and name HA  ))
       2.200     0.600     0.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.69037E-02 ppm1      2.375 ppm2      4.573 CV     1
  ASSI {  117}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HB1 ))
       1.900     0.500     0.500 peak   117 spectrum    1 weight  0.10000E+01 volume  0.68370E-02 ppm1      1.888 ppm2      2.561 CV     1
  ASSI {  118}
    (( segid "    " and resid 69   and name HB1 ))
    (( segid "    " and resid 69   and name HB2 ))
       2.000     0.500     0.500 peak   118 spectrum    1 weight  0.10000E+01 volume  0.68206E-02 ppm1      2.396 ppm2      1.696 CV     1
  ASSI {  120}
    (( segid "    " and resid 54   and name HB  ))
    (  segid "    " and resid 54   and name HG2%)
       2.200     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.67785E-02 ppm1      2.112 ppm2      0.545 CV     1
  ASSI {  122}
    (  segid "    " and resid 23   and name HB% )
    (( segid "    " and resid 26   and name HA  ))
       2.400     2.400     3.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.66204E-02 ppm1      1.550 ppm2      4.244 CV     1
  ASSI {  123}
    (( segid "    " and resid 55   and name HG11))
    (( segid "    " and resid 55   and name HG12))
       1.900     0.400     0.400 peak   123 spectrum    1 weight  0.10000E+01 volume  0.66122E-02 ppm1      1.878 ppm2      0.655 CV     1
  ASSI {  124}
    (( segid "    " and resid 33   and name HB2 ))
    (  segid "    " and resid 33   and name HD1%)
       2.500     0.800     0.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.65953E-02 ppm1      1.604 ppm2      0.805 CV     1
  ASSI {  125}
    (  segid "    " and resid 62   and name HD2%)
    (  segid "    " and resid 21   and name HG2%)
       2.300     0.700     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.65619E-02 ppm1      0.295 ppm2      0.706 CV     1
  ASSI {  126}
    (  segid "    " and resid 33   and name HD1%)
    (( segid "    " and resid 33   and name HG  ))
       2.300     0.700     0.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.65537E-02 ppm1      0.804 ppm2      1.564 CV     1
  ASSI {  129}
    (( segid "    " and resid 71   and name HB  ))
    (  segid "    " and resid 71   and name HG1%)
       2.300     0.700     0.700 peak   129 spectrum    1 weight  0.10000E+01 volume  0.63874E-02 ppm1      1.970 ppm2      0.784 CV     1
  ASSI {  130}
    (( segid "    " and resid 54   and name HA  ))
    (  segid "    " and resid 54   and name HG1%)
       2.400     0.700     0.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.63705E-02 ppm1      2.836 ppm2      0.569 CV     1
  ASSI {  133}
    (  segid "    " and resid 55   and name HD1%)
    (( segid "    " and resid 55   and name HG11))
       2.200     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.63125E-02 ppm1      0.708 ppm2      1.888 CV     1
  ASSI {  134}
    (  segid "    " and resid 87   and name HG2%)
    (  segid "    " and resid 16   and name HE% )
       2.400     0.700     0.700 peak   134 spectrum    1 weight  0.10000E+01 volume  0.62540E-02 ppm1      0.234 ppm2      7.087 CV     1
  ASSI {  138}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 55   and name HG12))
       2.200     0.600     0.600 peak   138 spectrum    1 weight  0.10000E+01 volume  0.61873E-02 ppm1      3.315 ppm2      0.661 CV     1
  ASSI {  150}
    (  segid "    " and resid 68   and name HG2%)
    (( segid "    " and resid 68   and name HN  ))
       2.200     0.600     0.600 peak   150 spectrum    1 weight  0.10000E+01 volume  0.59625E-02 ppm1      1.043 ppm2      7.655 CV     1
  ASSI {  151}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 28   and name HB1 ))
       2.400     0.700     0.700 peak   151 spectrum    1 weight  0.10000E+01 volume  0.59543E-02 ppm1      4.326 ppm2      2.162 CV     1
  ASSI {  153}
    (  segid "    " and resid 12   and name HG1%)
    (  segid "    " and resid 39   and name HG1%)
       2.400     0.700     0.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.59374E-02 ppm1      0.944 ppm2      1.129 CV     1
  ASSI {  155}
    (  segid "    " and resid 71   and name HG1%)
    (  segid "    " and resid 61   and name HB% )
       2.400     2.400     3.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.59040E-02 ppm1      0.811 ppm2      1.475 CV     1
  ASSI {  157}
    (( segid "    " and resid 85   and name HB1 ))
    (( segid "    " and resid 85   and name HB2 ))
       2.000     0.500     0.500 peak   157 spectrum    1 weight  0.10000E+01 volume  0.58958E-02 ppm1      3.018 ppm2      2.765 CV     1
  ASSI {  158}
    (( segid "    " and resid 45   and name HG2 ))
    (( segid "    " and resid 45   and name HG1 ))
       2.000     0.500     0.500 peak   158 spectrum    1 weight  0.10000E+01 volume  0.58876E-02 ppm1      0.220 ppm2      0.604 CV     1
  ASSI {  159}
    (( segid "    " and resid 59   and name HB2 ))
    (( segid "    " and resid 59   and name HB1 ))
       1.900     0.500     0.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.58543E-02 ppm1      2.109 ppm2      2.737 CV     1
  ASSI {  161}
    (  segid "    " and resid 58   and name HB% )
    (( segid "    " and resid 58   and name HN  ))
       2.300     0.700     0.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.58291E-02 ppm1      1.589 ppm2      8.591 CV     1
  ASSI {  165}
    (  segid "    " and resid 88   and name HD1%)
    (( segid "    " and resid 88   and name HB  ))
       2.400     0.700     0.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.57793E-02 ppm1      0.014 ppm2      0.189 CV     1
  ASSI {  172}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 30   and name HB1 ))
       2.500     0.800     0.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.56710E-02 ppm1      3.942 ppm2      2.048 CV     1
  ASSI {  175}
    (( segid "    " and resid 62   and name HB1 ))
    (( segid "    " and resid 62   and name HA  ))
       2.600     0.800     0.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.56213E-02 ppm1      1.255 ppm2      3.956 CV     1
  ASSI {  178}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 75   and name HD1 ))
       2.500     2.500     3.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.55797E-02 ppm1      0.517 ppm2      4.217 CV     1
  ASSI {  179}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 33   and name HN  ))
       2.200     0.600     0.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.55797E-02 ppm1      1.603 ppm2      6.909 CV     1
  ASSI {  180}
    (( segid "    " and resid 43   and name HD1 ))
    (( segid "    " and resid 43   and name HG1 ))
       2.200     0.600     0.600 peak   180 spectrum    1 weight  0.10000E+01 volume  0.55546E-02 ppm1      3.586 ppm2      1.911 CV     1
  ASSI {  187}
    (  segid "    " and resid 68   and name HG2%)
    (( segid "    " and resid 68   and name HG11))
       2.900     1.100     1.100 peak   187 spectrum    1 weight  0.10000E+01 volume  0.54796E-02 ppm1      1.040 ppm2      1.744 CV     1
  ASSI {  188}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 44   and name HA  ))
       2.700     2.700     3.300 peak   188 spectrum    1 weight  0.10000E+01 volume  0.54714E-02 ppm1      4.534 ppm2      4.138 CV     1
  ASSI {  192}
    (  segid "    " and resid 68   and name HD1%)
    (( segid "    " and resid 68   and name HG11))
       2.300     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.54379E-02 ppm1      0.904 ppm2      1.739 CV     1
  ASSI {  194}
    (( segid "    " and resid 73   and name HB1 ))
    (( segid "    " and resid 73   and name HB2 ))
       2.000     0.500     0.500 peak   194 spectrum    1 weight  0.10000E+01 volume  0.53796E-02 ppm1      1.935 ppm2      1.684 CV     1
  ASSI {  198}
    (( segid "    " and resid 34   and name HB1 ))
    (( segid "    " and resid 34   and name HA  ))
       2.400     0.700     0.700 peak   198 spectrum    1 weight  0.10000E+01 volume  0.53047E-02 ppm1      2.986 ppm2      4.525 CV     1
  ASSI {  201}
    (  segid "    " and resid 71   and name HG2%)
    (  segid "    " and resid 61   and name HB% )
       2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.52547E-02 ppm1      0.745 ppm2      1.474 CV     1
  ASSI {  202}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 54   and name HB  ))
       2.300     0.700     0.700 peak   202 spectrum    1 weight  0.10000E+01 volume  0.52547E-02 ppm1      0.577 ppm2      2.106 CV     1
  ASSI {  203}
    (( segid "    " and resid 82   and name HA  ))
    (( segid "    " and resid 82   and name HB1 ))
       2.400     0.700     0.700 peak   203 spectrum    1 weight  0.10000E+01 volume  0.52464E-02 ppm1      4.537 ppm2      3.885 CV     1
  ASSI {  206}
    (  segid "    " and resid 68   and name HG2%)
    (( segid "    " and resid 68   and name HB  ))
       2.200     0.600     0.600 peak   206 spectrum    1 weight  0.10000E+01 volume  0.51881E-02 ppm1      1.043 ppm2      2.054 CV     1
  ASSI {  209}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 45   and name HA  ))
       2.100     2.100     3.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.51548E-02 ppm1      0.508 ppm2      4.355 CV     1
  ASSI {  210}
    (  segid "    " and resid 14   and name HG2%)
    (  segid "    " and resid 14   and name HD1%)
       2.400     0.700     0.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.51298E-02 ppm1      0.128 ppm2      0.818 CV     1
  ASSI {  212}
    (( segid "    " and resid 39   and name HB  ))
    (  segid "    " and resid 39   and name HG1%)
       2.400     0.700     0.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.51298E-02 ppm1      1.991 ppm2      1.100 CV     1
  ASSI {  218}
    (( segid "    " and resid 88   and name HB  ))
    (( segid "    " and resid 88   and name HG11))
       2.400     0.700     0.700 peak   218 spectrum    1 weight  0.10000E+01 volume  0.50049E-02 ppm1      0.138 ppm2      0.332 CV     1
  ASSI {  219}
    (  segid "    " and resid 33   and name HD1%)
    (( segid "    " and resid 33   and name HA  ))
       2.500     0.800     0.800 peak   219 spectrum    1 weight  0.10000E+01 volume  0.49966E-02 ppm1      0.814 ppm2      3.921 CV     1
  ASSI {  222}
    (( segid "    " and resid 81   and name HB1 ))
    (( segid "    " and resid 80   and name HA  ))
       2.600     2.600     3.400 peak   222 spectrum    1 weight  0.10000E+01 volume  0.49633E-02 ppm1      3.885 ppm2      4.810 CV     1
  ASSI {  223}
    (( segid "    " and resid 90   and name HB1 ))
    (( segid "    " and resid 90   and name HA  ))
       2.500     0.800     0.800 peak   223 spectrum    1 weight  0.10000E+01 volume  0.49549E-02 ppm1      2.838 ppm2      4.776 CV     1
  ASSI {  226}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 21   and name HA  ))
       2.400     0.700     0.700 peak   226 spectrum    1 weight  0.10000E+01 volume  0.48883E-02 ppm1      0.677 ppm2      4.303 CV     1
  ASSI {  228}
    (( segid "    " and resid 66   and name HD2 ))
    (( segid "    " and resid 66   and name HG2 ))
       2.300     0.700     0.700 peak   228 spectrum    1 weight  0.10000E+01 volume  0.48383E-02 ppm1      3.454 ppm2      1.943 CV     1
  ASSI {  229}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 62   and name HB2 ))
       2.300     0.700     0.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.48383E-02 ppm1      3.956 ppm2      1.198 CV     1
  ASSI {  230}
    (  segid "    " and resid 55   and name HG2%)
    (( segid "    " and resid 55   and name HB  ))
       2.400     0.700     0.700 peak   230 spectrum    1 weight  0.10000E+01 volume  0.48050E-02 ppm1      0.823 ppm2      1.711 CV     1
  ASSI {  231}
    (( segid "    " and resid 24   and name HB1 ))
    (( segid "    " and resid 24   and name HA  ))
       2.500     0.800     0.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.47967E-02 ppm1      2.053 ppm2      4.149 CV     1
  ASSI {  233}
    (  segid "    " and resid 36   and name HE% )
    (  segid "    " and resid 14   and name HD1%)
       2.400     0.700     0.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.47800E-02 ppm1      1.937 ppm2      0.810 CV     1
  ASSI {  235}
    (( segid "    " and resid 45   and name HB1 ))
    (( segid "    " and resid 45   and name HB2 ))
       2.000     0.500     0.500 peak   235 spectrum    1 weight  0.10000E+01 volume  0.47717E-02 ppm1      1.134 ppm2      0.789 CV     1
  ASSI {  240}
    (( segid "    " and resid 88   and name HG12))
    (  segid "    " and resid 88   and name HG2%)
       2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.47051E-02 ppm1      0.345 ppm2      0.708 CV     1
  ASSI {  243}
    (  segid "    " and resid 73   and name HD1%)
    (( segid "    " and resid 73   and name HA  ))
       2.500     0.800     0.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.46635E-02 ppm1      0.687 ppm2      4.996 CV     1
  ASSI {  253}
    (( segid "    " and resid 10   and name HA  ))
    (  segid "    " and resid 10   and name HG1%)
       2.500     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.44719E-02 ppm1      4.148 ppm2      0.911 CV     1
  ASSI {  256}
    (  segid "    " and resid 88   and name HD1%)
    (( segid "    " and resid 13   and name HG1 ))
       2.100     2.100     3.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.44386E-02 ppm1      0.014 ppm2      2.009 CV     1
  ASSI {  258}
    (( segid "    " and resid 19   and name HB1 ))
    (( segid "    " and resid 19   and name HN  ))
       2.500     2.500     3.500 peak   258 spectrum    1 weight  0.10000E+01 volume  0.43886E-02 ppm1      1.792 ppm2      8.955 CV     1
  ASSI {  259}
    (( segid "    " and resid 17   and name HD1 ))
    (( segid "    " and resid 16   and name HA  ))
       2.300     0.700     0.700 peak   259 spectrum    1 weight  0.10000E+01 volume  0.43637E-02 ppm1      4.096 ppm2      5.582 CV     1
  ASSI {  263}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 38   and name HB2 ))
       2.500     0.800     0.800 peak   263 spectrum    1 weight  0.10000E+01 volume  0.42970E-02 ppm1      4.401 ppm2      1.737 CV     1
  ASSI {  266}
    (( segid "    " and resid 47   and name HA2 ))
    (( segid "    " and resid 47   and name HN  ))
       2.300     0.700     0.700 peak   266 spectrum    1 weight  0.10000E+01 volume  0.42637E-02 ppm1      3.614 ppm2      8.520 CV     1
  ASSI {  275}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 44   and name HN  ))
       2.500     0.800     0.800 peak   275 spectrum    1 weight  0.10000E+01 volume  0.41888E-02 ppm1      4.534 ppm2      8.505 CV     1
  ASSI {  277}
    (  segid "    " and resid 42   and name HG2%)
    (( segid "    " and resid 42   and name HA  ))
       2.600     0.900     0.900 peak   277 spectrum    1 weight  0.10000E+01 volume  0.41471E-02 ppm1      1.167 ppm2      4.620 CV     1
  ASSI {  279}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 12   and name HN  ))
       2.700     0.900     0.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.41221E-02 ppm1      0.812 ppm2      8.653 CV     1
  ASSI {  281}
    (  segid "    " and resid 88   and name HG2%)
    (( segid "    " and resid 88   and name HG12))
       2.600     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.40722E-02 ppm1      0.707 ppm2      0.333 CV     1
  OR {  281}
    (  segid "    " and resid 88   and name HG2%)
    (( segid "    " and resid 88   and name HG11))
  ASSI {  289}
    (  segid "    " and resid 36   and name HE% )
    (( segid "    " and resid 54   and name HB  ))
       2.600     0.800     0.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.40139E-02 ppm1      1.937 ppm2      2.117 CV     1
  ASSI {  291}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 61   and name HA  ))
       2.200     2.200     3.800 peak   291 spectrum    1 weight  0.10000E+01 volume  0.39389E-02 ppm1      0.815 ppm2      4.075 CV     1
  ASSI {  292}
    (  segid "    " and resid 55   and name HD1%)
    (( segid "    " and resid 55   and name HB  ))
       2.500     0.800     0.800 peak   292 spectrum    1 weight  0.10000E+01 volume  0.39223E-02 ppm1      0.708 ppm2      1.704 CV     1
  ASSI {  299}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 39   and name HA  ))
       2.800     2.800     3.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.38640E-02 ppm1      4.795 ppm2      4.066 CV     1
  ASSI {  305}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 41   and name HB2 ))
       3.000     3.000     3.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.37391E-02 ppm1      4.796 ppm2      2.611 CV     1
  ASSI {  308}
    (( segid "    " and resid 73   and name HB1 ))
    (  segid "    " and resid 73   and name HD2%)
       2.500     0.800     0.800 peak   308 spectrum    1 weight  0.10000E+01 volume  0.36641E-02 ppm1      1.936 ppm2      0.620 CV     1
  ASSI {  310}
    (( segid "    " and resid 73   and name HB2 ))
    (  segid "    " and resid 73   and name HD1%)
       2.600     0.800     0.800 peak   310 spectrum    1 weight  0.10000E+01 volume  0.36308E-02 ppm1      1.687 ppm2      0.649 CV     1
  ASSI {  311}
    (( segid "    " and resid 21   and name HB  ))
    (  segid "    " and resid 21   and name HG2%)
       2.500     0.800     0.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.36142E-02 ppm1      1.277 ppm2      0.688 CV     1
  ASSI {  315}
    (  segid "    " and resid 61   and name HB% )
    (( segid "    " and resid 62   and name HN  ))
       2.600     0.800     0.800 peak   315 spectrum    1 weight  0.10000E+01 volume  0.35809E-02 ppm1      1.483 ppm2      7.074 CV     1
  ASSI {  317}
    (  segid "    " and resid 36   and name HE% )
    (( segid "    " and resid 51   and name HA  ))
       2.500     0.800     0.800 peak   317 spectrum    1 weight  0.11000E+01 volume  0.35642E-02 ppm1      1.937 ppm2      3.816 CV     1
  ASSI {  323}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 75   and name HD2 ))
       2.600     0.800     0.800 peak   323 spectrum    1 weight  0.10000E+01 volume  0.35142E-02 ppm1      5.335 ppm2      3.889 CV     1
  ASSI {  324}
    (( segid "    " and resid 62   and name HA  ))
    (  segid "    " and resid 62   and name HD2%)
       2.800     0.900     0.900 peak   324 spectrum    1 weight  0.10000E+01 volume  0.34726E-02 ppm1      3.956 ppm2      0.321 CV     1
  ASSI {  326}
    (  segid "    " and resid 58   and name HB% )
    (  segid "    " and resid 87   and name HG2%)
       2.600     0.900     0.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.33977E-02 ppm1      1.591 ppm2      0.235 CV     1
  ASSI {  327}
    (  segid "    " and resid 73   and name HD1%)
    (( segid "    " and resid 73   and name HG  ))
       2.500     0.800     0.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.33977E-02 ppm1      0.687 ppm2      1.446 CV     1
  ASSI {  328}
    (( segid "    " and resid 35   and name HB1 ))
    (( segid "    " and resid 35   and name HA  ))
       2.500     0.800     0.800 peak   328 spectrum    1 weight  0.10000E+01 volume  0.33727E-02 ppm1      2.623 ppm2      4.318 CV     1
  ASSI {  329}
    (( segid "    " and resid 52   and name HA  ))
    (  segid "    " and resid 55   and name HD1%)
       2.700     0.900     0.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.33643E-02 ppm1      4.061 ppm2      0.725 CV     1
  ASSI {  331}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
       2.800     1.000     1.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.33310E-02 ppm1      4.328 ppm2      8.739 CV     1
  ASSI {  348}
    (  segid "    " and resid 18   and name HD1%)
    (( segid "    " and resid 18   and name HA  ))
       2.900     1.100     1.100 peak   348 spectrum    1 weight  0.10000E+01 volume  0.31562E-02 ppm1      0.714 ppm2      3.724 CV     1
  ASSI {  353}
    (( segid "    " and resid 68   and name HB  ))
    (( segid "    " and resid 68   and name HN  ))
       2.900     1.100     1.100 peak   353 spectrum    1 weight  0.10000E+01 volume  0.31312E-02 ppm1      2.059 ppm2      7.637 CV     1
  ASSI {  358}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 75   and name HD1 ))
       2.400     0.700     0.700 peak   358 spectrum    1 weight  0.10000E+01 volume  0.31145E-02 ppm1      5.335 ppm2      4.260 CV     1
  ASSI {  359}
    (  segid "    " and resid 18   and name HD1%)
    (( segid "    " and resid 89   and name HB2 ))
       2.900     1.000     1.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.31145E-02 ppm1      0.713 ppm2      2.811 CV     1
  ASSI {  362}
    (( segid "    " and resid 90   and name HB2 ))
    (( segid "    " and resid 17   and name HA  ))
       2.600     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.30812E-02 ppm1      2.484 ppm2      4.753 CV     1
  ASSI {  364}
    (( segid "    " and resid 39   and name HA  ))
    (  segid "    " and resid 12   and name HG2%)
       2.800     2.800     3.200 peak   364 spectrum    1 weight  0.10000E+01 volume  0.30729E-02 ppm1      4.084 ppm2      0.819 CV     1
  ASSI {  371}
    (  segid "    " and resid 21   and name HD1%)
    (  segid "    " and resid 58   and name HB% )
       2.700     0.900     0.900 peak   371 spectrum    1 weight  0.10000E+01 volume  0.30146E-02 ppm1      0.680 ppm2      1.589 CV     1
  ASSI {  379}
    (( segid "    " and resid 10   and name HB  ))
    (  segid "    " and resid 10   and name HG1%)
       2.700     0.900     0.900 peak   379 spectrum    1 weight  0.10000E+01 volume  0.29646E-02 ppm1      2.015 ppm2      0.912 CV     1
  ASSI {  384}
    (  segid "    " and resid 88   and name HD1%)
    (( segid "    " and resid 88   and name HN  ))
       2.800     1.000     1.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.29063E-02 ppm1      0.014 ppm2      8.616 CV     1
  ASSI {  389}
    (  segid "    " and resid 48   and name HE% )
    (( segid "    " and resid 48   and name HB1 ))
       2.900     1.100     1.100 peak   389 spectrum    1 weight  0.10000E+01 volume  0.28730E-02 ppm1      2.151 ppm2      2.331 CV     1
  ASSI {  391}
    (( segid "    " and resid 80   and name HB1 ))
    (( segid "    " and resid 74   and name HE1 ))
       3.000     3.000     3.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.28480E-02 ppm1      2.900 ppm2      2.970 CV     1
  ASSI {  393}
    (  segid "    " and resid 50   and name HD1%)
    (  segid "    " and resid 85   and name HD% )
       2.900     1.100     1.100 peak   393 spectrum    1 weight  0.10000E+01 volume  0.28397E-02 ppm1      1.046 ppm2      7.202 CV     1
  ASSI {  394}
    (( segid "    " and resid 21   and name HG12))
    (  segid "    " and resid 21   and name HD1%)
       2.600     0.800     0.800 peak   394 spectrum    1 weight  0.10000E+01 volume  0.28231E-02 ppm1      0.966 ppm2      0.686 CV     1
  OR {  394}
    (( segid "    " and resid 21   and name HG11))
    (  segid "    " and resid 21   and name HD1%)
  ASSI {  395}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 46   and name HB2 ))
       3.100     3.100     2.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.28231E-02 ppm1      1.891 ppm2      2.185 CV     1
  ASSI {  396}
    (( segid "    " and resid 34   and name HB1 ))
    (( segid "    " and resid 31   and name HA  ))
       3.200     1.300     1.300 peak   396 spectrum    1 weight  0.10000E+01 volume  0.28147E-02 ppm1      2.989 ppm2      4.147 CV     1
  ASSI {  397}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 26   and name HA  ))
       2.700     0.900     0.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.27898E-02 ppm1      2.543 ppm2      4.229 CV     1
  ASSI {  400}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 26   and name HB1 ))
       2.700     0.900     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.27898E-02 ppm1      4.223 ppm2      3.477 CV     1
  ASSI {  401}
    (( segid "    " and resid 83   and name HB  ))
    (  segid "    " and resid 83   and name HG1%)
       2.600     0.800     0.800 peak   401 spectrum    1 weight  0.10000E+01 volume  0.27814E-02 ppm1      1.749 ppm2      0.738 CV     1
  ASSI {  403}
    (( segid "    " and resid 31   and name HB1 ))
    (( segid "    " and resid 31   and name HN  ))
       2.900     1.100     1.100 peak   403 spectrum    1 weight  0.10000E+01 volume  0.27481E-02 ppm1      1.810 ppm2      8.305 CV     1
  ASSI {  411}
    (( segid "    " and resid 20   and name HD1 ))
    (( segid "    " and resid 20   and name HB1 ))
       2.700     0.900     0.900 peak   411 spectrum    1 weight  0.10000E+01 volume  0.27148E-02 ppm1      3.123 ppm2      1.926 CV     1
  ASSI {  412}
    (( segid "    " and resid 10   and name HB  ))
    (  segid "    " and resid 83   and name HG2%)
       2.700     0.900     0.900 peak   412 spectrum    1 weight  0.10000E+01 volume  0.27065E-02 ppm1      2.014 ppm2      0.513 CV     1
  ASSI {  415}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 87   and name HB  ))
       2.700     0.900     0.900 peak   415 spectrum    1 weight  0.10000E+01 volume  0.26898E-02 ppm1      0.739 ppm2      1.727 CV     1
  ASSI {  417}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 53   and name HE3 ))
       2.900     2.900     3.100 peak   417 spectrum    1 weight  0.10000E+01 volume  0.26815E-02 ppm1      0.578 ppm2      7.127 CV     1
  ASSI {  419}
    (( segid "    " and resid 78   and name HB  ))
    (  segid "    " and resid 78   and name HG1%)
       2.700     0.900     0.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.26732E-02 ppm1      2.048 ppm2      0.938 CV     1
  ASSI {  420}
    (( segid "    " and resid 31   and name HB1 ))
    (( segid "    " and resid 31   and name HA  ))
       2.800     1.000     1.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.26565E-02 ppm1      1.812 ppm2      4.149 CV     1
  ASSI {  424}
    (  segid "    " and resid 62   and name HD2%)
    (( segid "    " and resid 62   and name HN  ))
       3.200     1.300     1.300 peak   424 spectrum    1 weight  0.10000E+01 volume  0.26399E-02 ppm1      0.297 ppm2      7.079 CV     1
  ASSI {  425}
    (  segid "    " and resid 87   and name HG2%)
    (( segid "    " and resid 87   and name HA  ))
       2.700     0.900     0.900 peak   425 spectrum    1 weight  0.10000E+01 volume  0.26399E-02 ppm1      0.234 ppm2      4.211 CV     1
  ASSI {  430}
    (( segid "    " and resid 9    and name HA  ))
    (  segid "    " and resid 9    and name HB% )
       2.700     0.900     0.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.26149E-02 ppm1      4.411 ppm2      1.273 CV     1
  ASSI {  434}
    (( segid "    " and resid 16   and name HA  ))
    (  segid "    " and resid 89   and name HE% )
       3.400     3.400     2.600 peak   434 spectrum    1 weight  0.10000E+01 volume  0.25982E-02 ppm1      5.586 ppm2      6.915 CV     1
  ASSI {  438}
    (  segid "    " and resid 73   and name HD2%)
    (( segid "    " and resid 54   and name HA  ))
       2.700     0.900     0.900 peak   438 spectrum    1 weight  0.10000E+01 volume  0.25566E-02 ppm1      0.617 ppm2      2.825 CV     1
  ASSI {  443}
    (  segid "    " and resid 55   and name HD1%)
    (( segid "    " and resid 33   and name HA  ))
       2.300     2.300     3.700 peak   443 spectrum    1 weight  0.10000E+01 volume  0.25316E-02 ppm1      0.706 ppm2      3.904 CV     1
  ASSI {  444}
    (( segid "    " and resid 68   and name HB  ))
    (( segid "    " and resid 68   and name HA  ))
       2.600     0.900     0.900 peak   444 spectrum    1 weight  0.10000E+01 volume  0.25233E-02 ppm1      2.057 ppm2      4.159 CV     1
  ASSI {  446}
    (  segid "    " and resid 73   and name HD2%)
    (( segid "    " and resid 73   and name HG  ))
       2.700     0.900     0.900 peak   446 spectrum    1 weight  0.10000E+01 volume  0.24567E-02 ppm1      0.618 ppm2      1.445 CV     1
  ASSI {  448}
    (( segid "    " and resid 80   and name HB1 ))
    (( segid "    " and resid 80   and name HA  ))
       2.700     0.900     0.900 peak   448 spectrum    1 weight  0.10000E+01 volume  0.24400E-02 ppm1      2.900 ppm2      4.778 CV     1
  ASSI {  449}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 17   and name HD2 ))
       2.900     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.24400E-02 ppm1      5.587 ppm2      3.415 CV     1
  ASSI {  453}
    (  segid "    " and resid 52   and name HB% )
    (( segid "    " and resid 49   and name HD2 ))
       2.400     2.400     3.600 peak   453 spectrum    1 weight  0.10000E+01 volume  0.24150E-02 ppm1      1.548 ppm2      3.623 CV     1
  ASSI {  463}
    (  segid "    " and resid 73   and name HD2%)
    (( segid "    " and resid 57   and name HB1 ))
       2.700     0.900     0.900 peak   463 spectrum    1 weight  0.11000E+01 volume  0.23317E-02 ppm1      0.617 ppm2      2.247 CV     1
  ASSI {  471}
    (( segid "    " and resid 90   and name HB2 ))
    (( segid "    " and resid 90   and name HN  ))
       2.600     0.900     0.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.22735E-02 ppm1      2.485 ppm2      8.720 CV     1
  ASSI {  481}
    (( segid "    " and resid 80   and name HB2 ))
    (( segid "    " and resid 80   and name HA  ))
       3.000     1.100     1.100 peak   481 spectrum    1 weight  0.10000E+01 volume  0.22235E-02 ppm1      2.659 ppm2      4.789 CV     1
  ASSI {  484}
    (( segid "    " and resid 49   and name HD2 ))
    (( segid "    " and resid 48   and name HA  ))
       3.000     1.100     1.100 peak   484 spectrum    1 weight  0.10000E+01 volume  0.21985E-02 ppm1      3.627 ppm2      4.991 CV     1
  ASSI {  492}
    (( segid "    " and resid 88   and name HG11))
    (( segid "    " and resid 88   and name HA  ))
       2.700     0.900     0.900 peak   492 spectrum    1 weight  0.10000E+01 volume  0.21402E-02 ppm1      0.324 ppm2      3.765 CV     1
  ASSI {  493}
    (( segid "    " and resid 81   and name HB1 ))
    (( segid "    " and resid 81   and name HA  ))
       2.800     1.000     1.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.21319E-02 ppm1      3.885 ppm2      4.376 CV     1
  ASSI {  494}
    (  segid "    " and resid 83   and name HG1%)
    (( segid "    " and resid 83   and name HA  ))
       3.000     1.100     1.100 peak   494 spectrum    1 weight  0.10000E+01 volume  0.21319E-02 ppm1      0.737 ppm2      4.380 CV     1
  ASSI {  495}
    (  segid "    " and resid 88   and name HG2%)
    (( segid "    " and resid 88   and name HN  ))
       3.300     1.400     1.400 peak   495 spectrum    1 weight  0.10000E+01 volume  0.21236E-02 ppm1      0.708 ppm2      8.624 CV     1
  ASSI {  496}
    (( segid "    " and resid 85   and name HB1 ))
    (( segid "    " and resid 85   and name HN  ))
       3.400     1.400     1.400 peak   496 spectrum    1 weight  0.10000E+01 volume  0.21236E-02 ppm1      3.013 ppm2      9.229 CV     1
  ASSI {  497}
    (  segid "    " and resid 14   and name HD1%)
    (( segid "    " and resid 14   and name HA  ))
       3.500     1.600     1.600 peak   497 spectrum    1 weight  0.10000E+01 volume  0.21236E-02 ppm1      0.817 ppm2      4.366 CV     1
  ASSI {  498}
    (  segid "    " and resid 55   and name HG2%)
    (( segid "    " and resid 55   and name HG11))
       3.400     1.400     1.400 peak   498 spectrum    1 weight  0.10000E+01 volume  0.21236E-02 ppm1      0.824 ppm2      1.891 CV     1
  ASSI {  500}
    (( segid "    " and resid 30   and name HG1 ))
    (( segid "    " and resid 31   and name HA  ))
       3.200     3.200     2.800 peak   500 spectrum    1 weight  0.10000E+01 volume  0.21152E-02 ppm1      2.375 ppm2      4.144 CV     1
  ASSI {  501}
    (( segid "    " and resid 21   and name HG12))
    (  segid "    " and resid 58   and name HB% )
       2.900     1.000     1.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.21152E-02 ppm1      0.986 ppm2      1.585 CV     1
  ASSI {  508}
    (  segid "    " and resid 55   and name HG2%)
    (( segid "    " and resid 55   and name HA  ))
       2.800     1.000     1.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.20653E-02 ppm1      0.824 ppm2      3.320 CV     1
  ASSI {  511}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 74   and name HG2 ))
       2.800     1.000     1.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.20236E-02 ppm1      5.336 ppm2      1.459 CV     1
  ASSI {  513}
    (( segid "    " and resid 63   and name HG1 ))
    (( segid "    " and resid 63   and name HA  ))
       3.000     1.100     1.100 peak   513 spectrum    1 weight  0.10000E+01 volume  0.20153E-02 ppm1      2.017 ppm2      3.712 CV     1
  ASSI {  524}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 32   and name HB1 ))
       3.100     1.200     1.200 peak   524 spectrum    1 weight  0.10000E+01 volume  0.19820E-02 ppm1      1.618 ppm2      1.993 CV     1
  ASSI {  525}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 59   and name HB2 ))
       2.700     0.900     0.900 peak   525 spectrum    1 weight  0.10000E+01 volume  0.19737E-02 ppm1      3.488 ppm2      2.110 CV     1
  ASSI {  526}
    (( segid "    " and resid 50   and name HB2 ))
    (  segid "    " and resid 50   and name HD1%)
       3.100     1.200     1.200 peak   526 spectrum    1 weight  0.10000E+01 volume  0.19737E-02 ppm1      1.657 ppm2      1.041 CV     1
  ASSI {  529}
    (  segid "    " and resid 88   and name HG2%)
    (( segid "    " and resid 90   and name HA  ))
       2.900     1.000     1.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.19653E-02 ppm1      0.706 ppm2      4.803 CV     1
  ASSI {  530}
    (( segid "    " and resid 62   and name HA  ))
    (  segid "    " and resid 68   and name HD1%)
       2.800     0.900     0.900 peak   530 spectrum    1 weight  0.10000E+01 volume  0.19653E-02 ppm1      3.954 ppm2      0.897 CV     1
  ASSI {  533}
    (  segid "    " and resid 14   and name HD1%)
    (  segid "    " and resid 85   and name HE% )
       3.000     1.100     1.100 peak   533 spectrum    1 weight  0.10000E+01 volume  0.19487E-02 ppm1      0.820 ppm2      7.256 CV     1
  ASSI {  541}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       2.900     1.000     1.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.19154E-02 ppm1      4.071 ppm2      7.725 CV     1
  ASSI {  542}
    (( segid "    " and resid 31   and name HB1 ))
    (( segid "    " and resid 32   and name HB2 ))
       3.000     1.100     1.100 peak   542 spectrum    1 weight  0.10000E+01 volume  0.18987E-02 ppm1      1.813 ppm2      0.912 CV     1
  ASSI {  547}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 39   and name HA  ))
       3.000     1.100     1.100 peak   547 spectrum    1 weight  0.10000E+01 volume  0.18654E-02 ppm1      1.077 ppm2      4.047 CV     1
  ASSI {  548}
    (( segid "    " and resid 85   and name HA  ))
    (( segid "    " and resid 12   and name HB  ))
       2.800     1.000     1.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.18654E-02 ppm1      5.276 ppm2      1.907 CV     1
  ASSI {  562}
    (( segid "    " and resid 85   and name HB2 ))
    (  segid "    " and resid 54   and name HG2%)
       3.000     1.100     1.100 peak   562 spectrum    1 weight  0.10000E+01 volume  0.18071E-02 ppm1      2.772 ppm2      0.536 CV     1
  ASSI {  564}
    (( segid "    " and resid 65   and name HB1 ))
    (( segid "    " and resid 65   and name HA  ))
       2.900     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.18071E-02 ppm1      3.018 ppm2      4.941 CV     1
  ASSI {  567}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 71   and name HA  ))
       3.000     1.100     1.100 peak   567 spectrum    1 weight  0.10000E+01 volume  0.17738E-02 ppm1      0.810 ppm2      4.434 CV     1
  ASSI {  568}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 58   and name HA  ))
       2.900     1.100     1.100 peak   568 spectrum    1 weight  0.10000E+01 volume  0.17655E-02 ppm1      0.746 ppm2      4.016 CV     1
  ASSI {  580}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 43   and name HG1 ))
       2.700     0.900     0.900 peak   580 spectrum    1 weight  0.10000E+01 volume  0.17072E-02 ppm1      4.792 ppm2      1.888 CV     1
  ASSI {  582}
    (( segid "    " and resid 62   and name HB1 ))
    (( segid "    " and resid 68   and name HG12))
       3.400     1.500     1.500 peak   582 spectrum    1 weight  0.10000E+01 volume  0.16989E-02 ppm1      1.257 ppm2      1.456 CV     1
  ASSI {  586}
    (( segid "    " and resid 85   and name HB2 ))
    (( segid "    " and resid 85   and name HN  ))
       2.700     0.900     0.900 peak   586 spectrum    1 weight  0.10000E+01 volume  0.16905E-02 ppm1      2.774 ppm2      9.229 CV     1
  ASSI {  587}
    (( segid "    " and resid 54   and name HB  ))
    (( segid "    " and resid 55   and name HN  ))
       2.700     0.900     0.900 peak   587 spectrum    1 weight  0.10000E+01 volume  0.16822E-02 ppm1      2.110 ppm2      7.557 CV     1
  ASSI {  589}
    (( segid "    " and resid 32   and name HB2 ))
    (  segid "    " and resid 32   and name HD1%)
       2.800     1.000     1.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.16572E-02 ppm1      0.908 ppm2      0.487 CV     1
  ASSI {  593}
    (( segid "    " and resid 68   and name HB  ))
    (( segid "    " and resid 68   and name HG12))
       3.000     1.100     1.100 peak   593 spectrum    1 weight  0.10000E+01 volume  0.16489E-02 ppm1      2.056 ppm2      1.474 CV     1
  ASSI {  594}
    (  segid "    " and resid 36   and name HE% )
    (( segid "    " and resid 36   and name HG1 ))
       2.900     1.100     1.100 peak   594 spectrum    1 weight  0.10000E+01 volume  0.16489E-02 ppm1      1.937 ppm2      2.809 CV     1
  ASSI {  597}
    (( segid "    " and resid 89   and name HB2 ))
    (( segid "    " and resid 90   and name HA  ))
       3.100     3.100     2.900 peak   597 spectrum    1 weight  0.10000E+01 volume  0.16073E-02 ppm1      2.838 ppm2      4.809 CV     1
  ASSI {  599}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 39   and name HN  ))
       3.000     1.200     1.200 peak   599 spectrum    1 weight  0.10000E+01 volume  0.16073E-02 ppm1      1.078 ppm2      7.692 CV     1
  ASSI {  603}
    (  segid "    " and resid 21   and name HD1%)
    (  segid "    " and resid 89   and name HE% )
       3.500     1.500     1.500 peak   603 spectrum    1 weight  0.10000E+01 volume  0.15739E-02 ppm1      0.677 ppm2      6.925 CV     1
  ASSI {  604}
    (  segid "    " and resid 77   and name HB% )
    (( segid "    " and resid 75   and name HA  ))
       2.500     2.500     3.500 peak   604 spectrum    1 weight  0.10000E+01 volume  0.15739E-02 ppm1      1.441 ppm2      3.956 CV     1
  ASSI {  614}
    (( segid "    " and resid 22   and name HA  ))
    (  segid "    " and resid 62   and name HD1%)
       3.100     1.200     1.200 peak   614 spectrum    1 weight  0.10000E+01 volume  0.15490E-02 ppm1      4.069 ppm2      0.360 CV     1
  ASSI {  615}
    (( segid "    " and resid 66   and name HD2 ))
    (( segid "    " and resid 66   and name HB1 ))
       3.500     1.500     1.500 peak   615 spectrum    1 weight  0.10000E+01 volume  0.15490E-02 ppm1      3.458 ppm2      2.369 CV     1
  ASSI {  629}
    (( segid "    " and resid 89   and name HA  ))
    (  segid "    " and resid 89   and name HE% )
       3.600     1.600     1.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.14823E-02 ppm1      5.675 ppm2      6.942 CV     1
  ASSI {  637}
    (( segid "    " and resid 36   and name HG1 ))
    (  segid "    " and resid 55   and name HD1%)
       2.900     1.100     1.100 peak   637 spectrum    1 weight  0.10000E+01 volume  0.14574E-02 ppm1      2.807 ppm2      0.730 CV     1
  ASSI {  639}
    (  segid "    " and resid 14   and name HD1%)
    (( segid "    " and resid 85   and name HB2 ))
       3.600     1.600     1.600 peak   639 spectrum    1 weight  0.10000E+01 volume  0.14490E-02 ppm1      0.821 ppm2      2.782 CV     1
  ASSI {  641}
    (( segid "    " and resid 44   and name HG2 ))
    (( segid "    " and resid 45   and name HA  ))
       3.300     1.300     1.300 peak   641 spectrum    1 weight  0.10000E+01 volume  0.14407E-02 ppm1      2.094 ppm2      4.326 CV     1
  ASSI {  643}
    (( segid "    " and resid 88   and name HG11))
    (( segid "    " and resid 88   and name HN  ))
       3.000     1.200     1.200 peak   643 spectrum    1 weight  0.10000E+01 volume  0.14324E-02 ppm1      0.357 ppm2      8.588 CV     1
  ASSI {  650}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 68   and name HG12))
       3.300     3.300     2.700 peak   650 spectrum    1 weight  0.10000E+01 volume  0.14074E-02 ppm1      1.179 ppm2      1.452 CV     1
  ASSI {  651}
    (( segid "    " and resid 85   and name HB1 ))
    (  segid "    " and resid 54   and name HG2%)
       3.100     1.200     1.200 peak   651 spectrum    1 weight  0.10000E+01 volume  0.13991E-02 ppm1      3.015 ppm2      0.547 CV     1
  OR {  651}
    (( segid "    " and resid 85   and name HB1 ))
    (  segid "    " and resid 54   and name HG1%)
  ASSI {  656}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 35   and name HE22))
       3.200     1.300     1.300 peak   656 spectrum    1 weight  0.10000E+01 volume  0.13991E-02 ppm1      5.587 ppm2      7.090 CV     1
  ASSI {  659}
    (  segid "    " and resid 87   and name HG2%)
    (( segid "    " and resid 14   and name HB  ))
       3.000     1.100     1.100 peak   659 spectrum    1 weight  0.10000E+01 volume  0.13907E-02 ppm1      0.235 ppm2      1.267 CV     1
  ASSI {  663}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HA  ))
       2.900     1.100     1.100 peak   663 spectrum    1 weight  0.10000E+01 volume  0.13907E-02 ppm1      1.655 ppm2      4.144 CV     1
  ASSI {  668}
    (  segid "    " and resid 14   and name HD1%)
    (( segid "    " and resid 36   and name HA  ))
       3.100     1.200     1.200 peak   668 spectrum    1 weight  0.10000E+01 volume  0.13824E-02 ppm1      0.817 ppm2      4.707 CV     1
  ASSI {  672}
    (( segid "    " and resid 34   and name HB1 ))
    (( segid "    " and resid 35   and name HN  ))
       3.400     1.400     1.400 peak   672 spectrum    1 weight  0.10000E+01 volume  0.13741E-02 ppm1      2.991 ppm2      8.054 CV     1
  ASSI {  673}
    (  segid "    " and resid 36   and name HE% )
    (( segid "    " and resid 52   and name HN  ))
       3.500     1.600     1.600 peak   673 spectrum    1 weight  0.10000E+01 volume  0.13658E-02 ppm1      1.935 ppm2      7.127 CV     1
  ASSI {  677}
    (( segid "    " and resid 48   and name HB1 ))
    (( segid "    " and resid 48   and name HA  ))
       3.300     1.400     1.400 peak   677 spectrum    1 weight  0.10000E+01 volume  0.13574E-02 ppm1      2.356 ppm2      5.015 CV     1
  ASSI {  679}
    (( segid "    " and resid 43   and name HD2 ))
    (( segid "    " and resid 43   and name HB1 ))
       3.500     1.500     1.500 peak   679 spectrum    1 weight  0.10000E+01 volume  0.13408E-02 ppm1      3.511 ppm2      2.360 CV     1
  ASSI {  683}
    (  segid "    " and resid 14   and name HD1%)
    (  segid "    " and resid 16   and name HE% )
       3.300     3.300     2.700 peak   683 spectrum    1 weight  0.10000E+01 volume  0.13408E-02 ppm1      0.821 ppm2      7.103 CV     1
  ASSI {  685}
    (( segid "    " and resid 73   and name HB1 ))
    (( segid "    " and resid 73   and name HG  ))
       2.900     1.100     1.100 peak   685 spectrum    1 weight  0.10000E+01 volume  0.13408E-02 ppm1      1.930 ppm2      1.436 CV     1
  ASSI {  686}
    (( segid "    " and resid 49   and name HD1 ))
    (( segid "    " and resid 48   and name HB1 ))
       2.800     0.900     0.900 peak   686 spectrum    1 weight  0.10000E+01 volume  0.13324E-02 ppm1      3.918 ppm2      2.339 CV     1
  ASSI {  687}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 85   and name HB2 ))
       3.300     3.300     2.700 peak   687 spectrum    1 weight  0.10000E+01 volume  0.13324E-02 ppm1      0.517 ppm2      2.775 CV     1
  ASSI {  688}
    (  segid "    " and resid 32   and name HD1%)
    (  segid "    " and resid 16   and name HE% )
       3.100     1.200     1.200 peak   688 spectrum    1 weight  0.10000E+01 volume  0.13324E-02 ppm1      0.478 ppm2      7.107 CV     1
  ASSI {  695}
    (  segid "    " and resid 55   and name HG2%)
    (  segid "    " and resid 16   and name HE% )
       3.200     1.300     1.300 peak   695 spectrum    1 weight  0.10000E+01 volume  0.13075E-02 ppm1      0.825 ppm2      7.085 CV     1
  ASSI {  704}
    (( segid "    " and resid 89   and name HB2 ))
    (( segid "    " and resid 69   and name HA  ))
       2.900     1.000     1.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.12908E-02 ppm1      2.796 ppm2      4.935 CV     1
  ASSI {  706}
    (  segid "    " and resid 83   and name HG2%)
    (  segid "    " and resid 85   and name HD% )
       3.200     3.200     2.800 peak   706 spectrum    1 weight  0.10000E+01 volume  0.12825E-02 ppm1      0.516 ppm2      7.173 CV     1
  ASSI {  709}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 50   and name HB2 ))
       3.200     1.300     1.300 peak   709 spectrum    1 weight  0.10000E+01 volume  0.12825E-02 ppm1      1.892 ppm2      1.703 CV     1
  ASSI {  714}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 35   and name HB1 ))
       3.300     3.300     2.700 peak   714 spectrum    1 weight  0.10000E+01 volume  0.12575E-02 ppm1      5.589 ppm2      2.630 CV     1
  ASSI {  715}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 86   and name HA  ))
       3.000     1.100     1.100 peak   715 spectrum    1 weight  0.10000E+01 volume  0.12575E-02 ppm1      5.410 ppm2      4.718 CV     1
  ASSI {  717}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
       3.100     1.200     1.200 peak   717 spectrum    1 weight  0.10000E+01 volume  0.12492E-02 ppm1      4.326 ppm2      7.259 CV     1
  ASSI {  718}
    (( segid "    " and resid 15   and name HB1 ))
    (( segid "    " and resid 90   and name HA  ))
       3.200     3.200     2.800 peak   718 spectrum    1 weight  0.10000E+01 volume  0.12408E-02 ppm1      3.404 ppm2      4.803 CV     1
  ASSI {  719}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 84   and name HA  ))
       3.200     1.300     1.300 peak   719 spectrum    1 weight  0.10000E+01 volume  0.12325E-02 ppm1      0.509 ppm2      4.758 CV     1
  ASSI {  720}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 62   and name HB1 ))
       3.000     1.100     1.100 peak   720 spectrum    1 weight  0.10000E+01 volume  0.12325E-02 ppm1      3.491 ppm2      1.226 CV     1
  ASSI {  726}
    (( segid "    " and resid 26   and name HB1 ))
    (  segid "    " and resid 55   and name HG2%)
       3.500     1.600     1.600 peak   726 spectrum    1 weight  0.10000E+01 volume  0.12242E-02 ppm1      3.482 ppm2      0.836 CV     1
  ASSI {  732}
    (( segid "    " and resid 32   and name HB1 ))
    (( segid "    " and resid 32   and name HG  ))
       2.900     1.100     1.100 peak   732 spectrum    1 weight  0.10000E+01 volume  0.12242E-02 ppm1      1.987 ppm2      1.546 CV     1
  ASSI {  733}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 89   and name HB2 ))
       4.100     2.100     1.900 peak   733 spectrum    1 weight  0.10000E+01 volume  0.12159E-02 ppm1      3.725 ppm2      2.826 CV     1
  ASSI {  734}
    (  segid "    " and resid 14   and name HD1%)
    (( segid "    " and resid 36   and name HG2 ))
       3.300     1.300     1.300 peak   734 spectrum    1 weight  0.10000E+01 volume  0.12159E-02 ppm1      0.817 ppm2      2.634 CV     1
  ASSI {  737}
    (  segid "    " and resid 55   and name HD1%)
    (( segid "    " and resid 55   and name HN  ))
       3.800     1.800     1.800 peak   737 spectrum    1 weight  0.10000E+01 volume  0.12075E-02 ppm1      0.707 ppm2      7.562 CV     1
  ASSI {  740}
    (( segid "    " and resid 31   and name HB1 ))
    (( segid "    " and resid 32   and name HB1 ))
       3.700     1.700     1.700 peak   740 spectrum    1 weight  0.10000E+01 volume  0.11909E-02 ppm1      1.814 ppm2      2.008 CV     1
  ASSI {  742}
    (( segid "    " and resid 33   and name HB1 ))
    (( segid "    " and resid 32   and name HB1 ))
       3.900     1.900     1.900 peak   742 spectrum    1 weight  0.10000E+01 volume  0.11909E-02 ppm1      1.654 ppm2      2.000 CV     1
  ASSI {  753}
    (  segid "    " and resid 31   and name HD1%)
    (( segid "    " and resid 35   and name HG1 ))
       3.200     1.200     1.200 peak   753 spectrum    1 weight  0.10000E+01 volume  0.11659E-02 ppm1      0.828 ppm2      2.870 CV     1
  ASSI {  756}
    (( segid "    " and resid 30   and name HB1 ))
    (  segid "    " and resid 31   and name HD1%)
       3.400     3.400     2.600 peak   756 spectrum    1 weight  0.10000E+01 volume  0.11659E-02 ppm1      2.049 ppm2      0.807 CV     1
  ASSI {  757}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 40   and name HD21))
       3.000     1.200     1.200 peak   757 spectrum    1 weight  0.10000E+01 volume  0.11659E-02 ppm1      1.906 ppm2      7.734 CV     1
  ASSI {  759}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 60   and name HG1 ))
       3.500     1.600     1.600 peak   759 spectrum    1 weight  0.10000E+01 volume  0.11576E-02 ppm1      3.750 ppm2      2.583 CV     1
  ASSI {  760}
    (  segid "    " and resid 73   and name HD2%)
    (( segid "    " and resid 73   and name HB2 ))
       3.300     1.400     1.400 peak   760 spectrum    1 weight  0.10000E+01 volume  0.11492E-02 ppm1      0.617 ppm2      1.684 CV     1
  ASSI {  762}
    (  segid "    " and resid 36   and name HE% )
    (( segid "    " and resid 55   and name HB  ))
       3.700     3.700     2.300 peak   762 spectrum    1 weight  0.10000E+01 volume  0.11409E-02 ppm1      1.937 ppm2      1.753 CV     1
  ASSI {  767}
    (( segid "    " and resid 84   and name HG1 ))
    (( segid "    " and resid 85   and name HN  ))
       3.700     1.700     1.700 peak   767 spectrum    1 weight  0.10000E+01 volume  0.11242E-02 ppm1      2.188 ppm2      9.227 CV     1
  ASSI {  777}
    (( segid "    " and resid 67   and name HB1 ))
    (( segid "    " and resid 67   and name HN  ))
       3.600     1.600     1.600 peak   777 spectrum    1 weight  0.10000E+01 volume  0.11159E-02 ppm1      1.917 ppm2      7.607 CV     1
  ASSI {  778}
    (( segid "    " and resid 70   and name HA  ))
    (( segid "    " and resid 88   and name HA  ))
       3.000     1.100     1.100 peak   778 spectrum    1 weight  0.10000E+01 volume  0.11076E-02 ppm1      4.950 ppm2      3.769 CV     1
  ASSI {  780}
    (( segid "    " and resid 18   and name HG  ))
    (( segid "    " and resid 18   and name HN  ))
       3.800     1.800     1.800 peak   780 spectrum    1 weight  0.10000E+01 volume  0.10993E-02 ppm1      1.428 ppm2      9.184 CV     1
  ASSI {  781}
    (  segid "    " and resid 36   and name HE% )
    (( segid "    " and resid 85   and name HZ  ))
       3.500     3.500     2.500 peak   781 spectrum    1 weight  0.11000E+01 volume  0.10993E-02 ppm1      1.941 ppm2      7.310 CV     1
  ASSI {  783}
    (  segid "    " and resid 21   and name HD1%)
    (  segid "    " and resid 16   and name HE% )
       3.200     1.300     1.300 peak   783 spectrum    1 weight  0.10000E+01 volume  0.10993E-02 ppm1      0.676 ppm2      7.116 CV     1
  ASSI {  789}
    (( segid "    " and resid 66   and name HD1 ))
    (( segid "    " and resid 67   and name HN  ))
       3.200     1.300     1.300 peak   789 spectrum    1 weight  0.10000E+01 volume  0.10826E-02 ppm1      3.739 ppm2      7.603 CV     1
  ASSI {  799}
    (  segid "    " and resid 62   and name HD1%)
    (( segid "    " and resid 63   and name HN  ))
       3.600     1.600     1.600 peak   799 spectrum    1 weight  0.10000E+01 volume  0.10660E-02 ppm1      0.391 ppm2      7.629 CV     1
  ASSI {  800}
    (( segid "    " and resid 80   and name HB1 ))
    (( segid "    " and resid 83   and name HB  ))
       3.200     1.200     1.200 peak   800 spectrum    1 weight  0.10000E+01 volume  0.10576E-02 ppm1      2.902 ppm2      1.800 CV     1
  ASSI {  809}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 64   and name HN  ))
       3.200     1.300     1.300 peak   809 spectrum    1 weight  0.10000E+01 volume  0.10493E-02 ppm1      3.687 ppm2      7.331 CV     1
  ASSI {  811}
    (( segid "    " and resid 22   and name HA  ))
    (  segid "    " and resid 21   and name HG2%)
       3.300     1.400     1.400 peak   811 spectrum    1 weight  0.10000E+01 volume  0.10410E-02 ppm1      4.070 ppm2      0.705 CV     1
  ASSI {  813}
    (( segid "    " and resid 74   and name HB1 ))
    (( segid "    " and resid 74   and name HA  ))
       3.400     1.400     1.400 peak   813 spectrum    1 weight  0.10000E+01 volume  0.10410E-02 ppm1      1.994 ppm2      5.329 CV     1
  ASSI {  814}
    (  segid "    " and resid 36   and name HE% )
    (( segid "    " and resid 36   and name HA  ))
       3.200     1.300     1.300 peak   814 spectrum    1 weight  0.10000E+01 volume  0.10410E-02 ppm1      1.937 ppm2      4.711 CV     1
  ASSI {  815}
    (( segid "    " and resid 46   and name HG1 ))
    (( segid "    " and resid 45   and name HA  ))
       3.400     1.400     1.400 peak   815 spectrum    1 weight  0.10000E+01 volume  0.10410E-02 ppm1      2.295 ppm2      4.362 CV     1
  ASSI {  816}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 89   and name HE% )
       3.100     1.200     1.200 peak   816 spectrum    1 weight  0.10000E+01 volume  0.10326E-02 ppm1      2.652 ppm2      6.916 CV     1
  ASSI {  824}
    (( segid "    " and resid 68   and name HG11))
    (  segid "    " and resid 62   and name HD2%)
       2.800     1.000     1.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.10243E-02 ppm1      1.748 ppm2      0.330 CV     1
  ASSI {  832}
    (( segid "    " and resid 85   and name HB2 ))
    (( segid "    " and resid 73   and name HB1 ))
       3.000     1.200     1.200 peak   832 spectrum    1 weight  0.10000E+01 volume  0.10077E-02 ppm1      2.774 ppm2      1.941 CV     1
  ASSI {  838}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 66   and name HA  ))
       3.100     1.200     1.200 peak   838 spectrum    1 weight  0.10000E+01 volume  0.99098E-03 ppm1      3.960 ppm2      4.597 CV     1
  ASSI {  841}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 65   and name HN  ))
       3.200     1.300     1.300 peak   841 spectrum    1 weight  0.10000E+01 volume  0.99098E-03 ppm1      3.957 ppm2      7.447 CV     1
  ASSI {  844}
    (( segid "    " and resid 59   and name HB1 ))
    (( segid "    " and resid 60   and name HN  ))
       2.900     1.100     1.100 peak   844 spectrum    1 weight  0.10000E+01 volume  0.98267E-03 ppm1      2.735 ppm2      8.604 CV     1
  ASSI {  845}
    (( segid "    " and resid 33   and name HG  ))
    (( segid "    " and resid 33   and name HN  ))
       3.900     1.900     1.900 peak   845 spectrum    1 weight  0.10000E+01 volume  0.98267E-03 ppm1      1.518 ppm2      6.912 CV     1
  ASSI {  850}
    (  segid "    " and resid 55   and name HG2%)
    (( segid "    " and resid 56   and name HA  ))
       3.300     1.300     1.300 peak   850 spectrum    1 weight  0.10000E+01 volume  0.95768E-03 ppm1      0.824 ppm2      4.049 CV     1
  ASSI {  858}
    (( segid "    " and resid 21   and name HB  ))
    (( segid "    " and resid 16   and name HB1 ))
       2.900     1.000     1.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.94937E-03 ppm1      1.279 ppm2      2.873 CV     1
  ASSI {  861}
    (( segid "    " and resid 71   and name HB  ))
    (( segid "    " and resid 72   and name HN  ))
       3.200     1.300     1.300 peak   861 spectrum    1 weight  0.10000E+01 volume  0.94937E-03 ppm1      1.970 ppm2      8.674 CV     1
  ASSI {  862}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 84   and name HN  ))
       3.300     1.300     1.300 peak   862 spectrum    1 weight  0.10000E+01 volume  0.94937E-03 ppm1      0.509 ppm2      8.255 CV     1
  ASSI {  867}
    (( segid "    " and resid 66   and name HD1 ))
    (( segid "    " and resid 66   and name HB1 ))
       3.100     1.200     1.200 peak   867 spectrum    1 weight  0.10000E+01 volume  0.94100E-03 ppm1      3.732 ppm2      2.366 CV     1
  ASSI {  868}
    (  segid "    " and resid 14   and name HG2%)
    (  segid "    " and resid 36   and name HE% )
       3.500     1.500     1.500 peak   868 spectrum    1 weight  0.10000E+01 volume  0.94100E-03 ppm1      0.128 ppm2      1.922 CV     1
  ASSI {  871}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 58   and name HN  ))
       3.200     1.300     1.300 peak   871 spectrum    1 weight  0.10000E+01 volume  0.94100E-03 ppm1      4.012 ppm2      8.590 CV     1
  ASSI {  872}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 21   and name HG2%)
       3.500     1.500     1.500 peak   872 spectrum    1 weight  0.10000E+01 volume  0.94100E-03 ppm1      2.653 ppm2      0.694 CV     1
  ASSI {  879}
    (( segid "    " and resid 59   and name HA  ))
    (  segid "    " and resid 21   and name HD1%)
       3.500     1.500     1.500 peak   879 spectrum    1 weight  0.10000E+01 volume  0.92438E-03 ppm1      3.487 ppm2      0.688 CV     1
  ASSI {  880}
    (( segid "    " and resid 32   and name HB1 ))
    (( segid "    " and resid 32   and name HA  ))
       3.400     1.500     1.500 peak   880 spectrum    1 weight  0.10000E+01 volume  0.92438E-03 ppm1      1.991 ppm2      3.925 CV     1
  ASSI {  881}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 55   and name HN  ))
       3.900     1.900     1.900 peak   881 spectrum    1 weight  0.10000E+01 volume  0.92438E-03 ppm1      0.511 ppm2      7.569 CV     1
  ASSI {  884}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 59   and name HA  ))
       3.500     1.500     1.500 peak   884 spectrum    1 weight  0.10000E+01 volume  0.91606E-03 ppm1      4.066 ppm2      3.485 CV     1
  ASSI {  885}
    (  segid "    " and resid 55   and name HG2%)
    (( segid "    " and resid 16   and name HZ  ))
       3.800     1.800     1.800 peak   885 spectrum    1 weight  0.10000E+01 volume  0.91606E-03 ppm1      0.828 ppm2      7.225 CV     1
  ASSI {  889}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
       3.400     1.500     1.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.90770E-03 ppm1      3.443 ppm2      7.250 CV     1
  ASSI {  891}
    (( segid "    " and resid 48   and name HG1 ))
    (( segid "    " and resid 49   and name HD1 ))
       3.600     1.600     1.600 peak   891 spectrum    1 weight  0.10000E+01 volume  0.89938E-03 ppm1      2.799 ppm2      3.898 CV     1
  ASSI {  895}
    (( segid "    " and resid 73   and name HB1 ))
    (( segid "    " and resid 85   and name HB1 ))
       3.700     1.700     1.700 peak   895 spectrum    1 weight  0.10000E+01 volume  0.89107E-03 ppm1      1.936 ppm2      3.012 CV     1
  ASSI {  897}
    (  segid "    " and resid 36   and name HE% )
    (( segid "    " and resid 54   and name HN  ))
       4.000     2.000     2.000 peak   897 spectrum    1 weight  0.11000E+01 volume  0.89107E-03 ppm1      1.936 ppm2      8.360 CV     1
  ASSI {  900}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 45   and name HB1 ))
       3.400     1.400     1.400 peak   900 spectrum    1 weight  0.10000E+01 volume  0.88270E-03 ppm1      4.330 ppm2      1.124 CV     1
  ASSI {  904}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 35   and name HG1 ))
       3.900     1.900     1.900 peak   904 spectrum    1 weight  0.10000E+01 volume  0.88270E-03 ppm1      4.377 ppm2      2.878 CV     1
  ASSI {  905}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 55   and name HG11))
       3.300     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.88270E-03 ppm1      3.312 ppm2      1.884 CV     1
  ASSI {  907}
    (  segid "    " and resid 23   and name HB% )
    (( segid "    " and resid 26   and name HN  ))
       3.400     1.400     1.400 peak   907 spectrum    1 weight  0.10000E+01 volume  0.87439E-03 ppm1      1.548 ppm2      7.247 CV     1
  ASSI {  908}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 62   and name HN  ))
       3.300     1.300     1.300 peak   908 spectrum    1 weight  0.10000E+01 volume  0.87439E-03 ppm1      3.956 ppm2      7.074 CV     1
  ASSI {  911}
    (  segid "    " and resid 62   and name HD2%)
    (( segid "    " and resid 68   and name HN  ))
       3.700     1.700     1.700 peak   911 spectrum    1 weight  0.10000E+01 volume  0.87439E-03 ppm1      0.292 ppm2      7.667 CV     1
  ASSI {  912}
    (  segid "    " and resid 12   and name HG1%)
    (( segid "    " and resid 85   and name HZ  ))
       3.600     1.600     1.600 peak   912 spectrum    1 weight  0.10000E+01 volume  0.87439E-03 ppm1      0.958 ppm2      7.309 CV     1
  ASSI {  916}
    (  segid "    " and resid 39   and name HG2%)
    (  segid "    " and resid 85   and name HD% )
       2.800     2.800     3.200 peak   916 spectrum    1 weight  0.10000E+01 volume  0.87439E-03 ppm1      1.077 ppm2      7.175 CV     1
  ASSI {  918}
    (( segid "    " and resid 45   and name HB2 ))
    (( segid "    " and resid 45   and name HG2 ))
       3.200     1.300     1.300 peak   918 spectrum    1 weight  0.10000E+01 volume  0.86608E-03 ppm1      0.791 ppm2      0.218 CV     1
  ASSI {  919}
    (( segid "    " and resid 21   and name HB  ))
    (( segid "    " and resid 21   and name HG12))
       3.100     1.200     1.200 peak   919 spectrum    1 weight  0.10000E+01 volume  0.86608E-03 ppm1      1.276 ppm2      0.993 CV     1
  ASSI {  920}
    (( segid "    " and resid 68   and name HB  ))
    (( segid "    " and resid 68   and name HG11))
       3.000     1.100     1.100 peak   920 spectrum    1 weight  0.10000E+01 volume  0.86608E-03 ppm1      2.060 ppm2      1.755 CV     1
  ASSI {  923}
    (( segid "    " and resid 62   and name HB2 ))
    (  segid "    " and resid 68   and name HD1%)
       3.300     1.300     1.300 peak   923 spectrum    1 weight  0.10000E+01 volume  0.85777E-03 ppm1      1.194 ppm2      0.893 CV     1
  ASSI {  941}
    (( segid "    " and resid 17   and name HD1 ))
    (( segid "    " and resid 16   and name HB1 ))
       3.600     1.600     1.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.83277E-03 ppm1      4.096 ppm2      2.857 CV     1
  ASSI {  943}
    (( segid "    " and resid 49   and name HD1 ))
    (( segid "    " and resid 50   and name HG  ))
       4.300     2.300     1.700 peak   943 spectrum    1 weight  0.10000E+01 volume  0.83277E-03 ppm1      3.919 ppm2      1.541 CV     1
  ASSI {  945}
    (( segid "    " and resid 70   and name HB2 ))
    (( segid "    " and resid 71   and name HN  ))
       3.200     1.300     1.300 peak   945 spectrum    1 weight  0.10000E+01 volume  0.82774E-03 ppm1      1.582 ppm2      8.946 CV     1
  ASSI {  955}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 16   and name HE% )
       3.900     1.900     1.900 peak   955 spectrum    1 weight  0.10000E+01 volume  0.81610E-03 ppm1      2.649 ppm2      7.101 CV     1
  ASSI {  957}
    (( segid "    " and resid 84   and name HB1 ))
    (( segid "    " and resid 84   and name HA  ))
       3.100     1.200     1.200 peak   957 spectrum    1 weight  0.10000E+01 volume  0.80696E-03 ppm1      2.183 ppm2      4.758 CV     1
  ASSI {  958}
    (  segid "    " and resid 88   and name HD1%)
    (( segid "    " and resid 70   and name HA  ))
       2.800     2.800     3.200 peak   958 spectrum    1 weight  0.10000E+01 volume  0.80609E-03 ppm1      0.011 ppm2      4.982 CV     1
  ASSI {  961}
    (  segid "    " and resid 48   and name HE% )
    (( segid "    " and resid 53   and name HN  ))
       4.000     2.000     2.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.79531E-03 ppm1      2.152 ppm2      8.579 CV     1
  ASSI {  967}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 50   and name HA  ))
       3.500     1.600     1.600 peak   967 spectrum    1 weight  0.10000E+01 volume  0.79028E-03 ppm1      1.047 ppm2      4.133 CV     1
  ASSI {  969}
    (  segid "    " and resid 14   and name HG2%)
    (( segid "    " and resid 14   and name HN  ))
       3.800     1.800     1.800 peak   969 spectrum    1 weight  0.10000E+01 volume  0.78361E-03 ppm1      0.131 ppm2      8.599 CV     1
  ASSI {  970}
    (( segid "    " and resid 51   and name HB1 ))
    (  segid "    " and resid 14   and name HD1%)
       3.700     1.700     1.700 peak   970 spectrum    1 weight  0.10000E+01 volume  0.78115E-03 ppm1      2.258 ppm2      0.790 CV     1
  ASSI {  977}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 36   and name HB1 ))
       3.700     1.700     1.700 peak   977 spectrum    1 weight  0.10000E+01 volume  0.77699E-03 ppm1      3.910 ppm2      2.313 CV     1
  ASSI {  980}
    (( segid "    " and resid 88   and name HG11))
    (( segid "    " and resid 13   and name HB1 ))
       3.300     3.300     2.700 peak   980 spectrum    1 weight  0.10000E+01 volume  0.77366E-03 ppm1      0.322 ppm2      2.034 CV     1
  OR {  980}
    (( segid "    " and resid 88   and name HG12))
    (( segid "    " and resid 13   and name HB1 ))
  ASSI {  987}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 56   and name HN  ))
       3.300     1.400     1.400 peak   987 spectrum    1 weight  0.10000E+01 volume  0.76283E-03 ppm1      4.041 ppm2      8.324 CV     1
  ASSI {  988}
    (( segid "    " and resid 76   and name HB1 ))
    (( segid "    " and resid 76   and name HN  ))
       3.800     1.800     1.800 peak   988 spectrum    1 weight  0.10000E+01 volume  0.76283E-03 ppm1      1.915 ppm2     10.041 CV     1
  ASSI {  997}
    (( segid "    " and resid 85   and name HB1 ))
    (( segid "    " and resid 85   and name HA  ))
       3.200     1.300     1.300 peak   997 spectrum    1 weight  0.10000E+01 volume  0.75200E-03 ppm1      3.014 ppm2      5.283 CV     1
  ASSI { 1003}
    (( segid "    " and resid 53   and name HB1 ))
    (( segid "    " and resid 50   and name HA  ))
       4.000     2.000     2.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.74697E-03 ppm1      3.733 ppm2      4.146 CV     1
  ASSI { 1004}
    (( segid "    " and resid 63   and name HG1 ))
    (( segid "    " and resid 59   and name HD2 ))
       3.300     1.300     1.300 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.74533E-03 ppm1      2.019 ppm2      6.820 CV     1
  ASSI { 1007}
    (  segid "    " and resid 55   and name HG2%)
    (( segid "    " and resid 27   and name HA  ))
       2.900     2.900     3.100 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.74451E-03 ppm1      0.825 ppm2      3.435 CV     1
  ASSI { 1013}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 55   and name HA  ))
       3.300     1.400     1.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.73368E-03 ppm1      0.680 ppm2      3.317 CV     1
  ASSI { 1016}
    (( segid "    " and resid 76   and name HB1 ))
    (( segid "    " and resid 76   and name HD1 ))
       3.500     1.500     1.500 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.72865E-03 ppm1      1.906 ppm2      3.273 CV     1
  ASSI { 1021}
    (  segid "    " and resid 36   and name HE% )
    (( segid "    " and resid 55   and name HN  ))
       3.900     1.900     1.900 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.72531E-03 ppm1      1.935 ppm2      7.575 CV     1
  ASSI { 1026}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 53   and name HH2 ))
       3.400     1.500     1.500 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.72034E-03 ppm1      0.515 ppm2      6.784 CV     1
  ASSI { 1028}
    (  segid "    " and resid 55   and name HD1%)
    (( segid "    " and resid 32   and name HG  ))
       3.400     1.400     1.400 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.71782E-03 ppm1      0.708 ppm2      1.555 CV     1
  ASSI { 1029}
    (  segid "    " and resid 23   and name HB% )
    (( segid "    " and resid 22   and name HN  ))
       2.900     2.900     3.100 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.71782E-03 ppm1      1.554 ppm2      7.734 CV     1
  ASSI { 1034}
    (  segid "    " and resid 68   and name HG2%)
    (( segid "    " and resid 65   and name HD22))
       3.500     1.500     1.500 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.71449E-03 ppm1      1.046 ppm2      7.068 CV     1
  ASSI { 1038}
    (( segid "    " and resid 78   and name HB  ))
    (( segid "    " and resid 79   and name HN  ))
       3.500     1.600     1.600 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.70617E-03 ppm1      2.056 ppm2      8.684 CV     1
  ASSI { 1040}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
       3.400     1.500     1.500 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.70284E-03 ppm1      4.760 ppm2      8.417 CV     1
  ASSI { 1050}
    (( segid "    " and resid 17   and name HD1 ))
    (( segid "    " and resid 35   and name HE22))
       3.100     1.200     1.200 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.69535E-03 ppm1      4.091 ppm2      7.061 CV     1
  ASSI { 1054}
    (( segid "    " and resid 55   and name HB  ))
    (( segid "    " and resid 32   and name HG  ))
       4.000     2.000     2.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.69037E-03 ppm1      1.714 ppm2      1.541 CV     1
  ASSI { 1056}
    (( segid "    " and resid 81   and name HB1 ))
    (( segid "    " and resid 81   and name HN  ))
       3.800     1.800     1.800 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.69037E-03 ppm1      3.887 ppm2      7.706 CV     1
  ASSI { 1058}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 32   and name HG  ))
       3.500     1.500     1.500 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.68703E-03 ppm1      0.914 ppm2      1.547 CV     1
  ASSI { 1061}
    (  segid "    " and resid 14   and name HG2%)
    (( segid "    " and resid 36   and name HA  ))
       3.400     1.500     1.500 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.68206E-03 ppm1      0.128 ppm2      4.702 CV     1
  ASSI { 1069}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 35   and name HB1 ))
       4.100     2.100     1.900 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.67539E-03 ppm1      3.931 ppm2      2.588 CV     1
  ASSI { 1071}
    (( segid "    " and resid 50   and name HB1 ))
    (( segid "    " and resid 50   and name HA  ))
       3.500     1.500     1.500 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.67035E-03 ppm1      2.236 ppm2      4.125 CV     1
  ASSI { 1078}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 36   and name HN  ))
       3.500     1.500     1.500 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.65953E-03 ppm1      2.625 ppm2      7.579 CV     1
  ASSI { 1081}
    (  segid "    " and resid 55   and name HD1%)
    (  segid "    " and resid 16   and name HE% )
       2.900     1.100     1.100 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.65707E-03 ppm1      0.706 ppm2      7.101 CV     1
  ASSI { 1088}
    (( segid "    " and resid 70   and name HB1 ))
    (( segid "    " and resid 15   and name HD2 ))
       4.100     2.100     1.900 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.64957E-03 ppm1      2.062 ppm2      7.091 CV     1
  ASSI { 1090}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 58   and name HN  ))
       3.500     1.500     1.500 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.64870E-03 ppm1      3.317 ppm2      8.575 CV     1
  ASSI { 1092}
    (  segid "    " and resid 83   and name HG1%)
    (( segid "    " and resid 84   and name HA  ))
       3.300     1.400     1.400 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.64624E-03 ppm1      0.733 ppm2      4.800 CV     1
  ASSI { 1093}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 36   and name HA  ))
       2.900     1.100     1.100 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.64542E-03 ppm1      1.077 ppm2      4.733 CV     1
  ASSI { 1094}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 55   and name HG11))
       4.000     2.000     2.000 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.64454E-03 ppm1      0.686 ppm2      1.900 CV     1
  ASSI { 1096}
    (( segid "    " and resid 89   and name HA  ))
    (( segid "    " and resid 89   and name HZ  ))
       3.700     1.700     1.700 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.64290E-03 ppm1      5.673 ppm2      7.107 CV     1
  ASSI { 1097}
    (  segid "    " and resid 55   and name HD1%)
    (( segid "    " and resid 56   and name HN  ))
       2.900     2.900     3.100 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.64290E-03 ppm1      0.703 ppm2      8.335 CV     1
  ASSI { 1098}
    (( segid "    " and resid 62   and name HB1 ))
    (( segid "    " and resid 63   and name HN  ))
       3.100     1.200     1.200 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.64208E-03 ppm1      1.255 ppm2      7.581 CV     1
  ASSI { 1100}
    (( segid "    " and resid 76   and name HD1 ))
    (( segid "    " and resid 76   and name HA  ))
       4.100     2.100     1.900 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.64039E-03 ppm1      3.243 ppm2      4.383 CV     1
  ASSI { 1108}
    (( segid "    " and resid 21   and name HG11))
    (  segid "    " and resid 62   and name HD2%)
       3.600     1.600     1.600 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.63623E-03 ppm1      0.998 ppm2      0.309 CV     1
  ASSI { 1111}
    (( segid "    " and resid 17   and name HD1 ))
    (( segid "    " and resid 17   and name HB1 ))
       3.900     1.900     1.900 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.63371E-03 ppm1      4.095 ppm2      2.601 CV     1
  ASSI { 1112}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       3.500     1.500     1.500 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.63207E-03 ppm1      4.220 ppm2      6.872 CV     1
  ASSI { 1114}
    (  segid "    " and resid 27   and name HB% )
    (( segid "    " and resid 29   and name HN  ))
       4.000     2.000     2.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.63207E-03 ppm1      0.751 ppm2      7.067 CV     1
  ASSI { 1115}
    (( segid "    " and resid 48   and name HG1 ))
    (( segid "    " and resid 49   and name HD2 ))
       4.300     2.300     1.700 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.63125E-03 ppm1      2.772 ppm2      3.607 CV     1
  ASSI { 1119}
    (( segid "    " and resid 16   and name HA  ))
    (  segid "    " and resid 32   and name HD1%)
       3.500     1.500     1.500 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.62792E-03 ppm1      5.591 ppm2      0.480 CV     1
  ASSI { 1121}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 62   and name HN  ))
       3.500     1.500     1.500 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.62710E-03 ppm1      3.498 ppm2      7.057 CV     1
  ASSI { 1123}
    (( segid "    " and resid 42   and name HB  ))
    (( segid "    " and resid 44   and name HN  ))
       3.600     1.600     1.600 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.62540E-03 ppm1      4.148 ppm2      8.511 CV     1
  ASSI { 1124}
    (( segid "    " and resid 30   and name HB1 ))
    (( segid "    " and resid 31   and name HN  ))
       3.400     1.400     1.400 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.62458E-03 ppm1      2.054 ppm2      8.305 CV     1
  ASSI { 1125}
    (  segid "    " and resid 73   and name HD2%)
    (( segid "    " and resid 14   and name HB  ))
       3.800     1.800     1.800 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.62376E-03 ppm1      0.619 ppm2      1.286 CV     1
  ASSI { 1128}
    (( segid "    " and resid 31   and name HB1 ))
    (( segid "    " and resid 32   and name HN  ))
       3.200     1.300     1.300 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.62125E-03 ppm1      1.812 ppm2      7.187 CV     1
  ASSI { 1131}
    (( segid "    " and resid 75   and name HG1 ))
    (( segid "    " and resid 84   and name HA  ))
       4.000     2.000     2.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.61873E-03 ppm1      2.113 ppm2      4.804 CV     1
  ASSI { 1138}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 32   and name HG  ))
       3.300     1.300     1.300 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.60292E-03 ppm1      2.566 ppm2      1.551 CV     1
  ASSI { 1142}
    (  segid "    " and resid 18   and name HD1%)
    (( segid "    " and resid 90   and name HA  ))
       3.800     1.800     1.800 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.59877E-03 ppm1      0.713 ppm2      4.812 CV     1
  ASSI { 1150}
    (( segid "    " and resid 32   and name HB1 ))
    (  segid "    " and resid 32   and name HD1%)
       4.000     2.000     2.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.59128E-03 ppm1      1.984 ppm2      0.483 CV     1
  ASSI { 1154}
    (( segid "    " and resid 89   and name HB2 ))
    (( segid "    " and resid 18   and name HB2 ))
       4.000     2.000     2.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.59040E-03 ppm1      2.813 ppm2      1.296 CV     1
  ASSI { 1156}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 43   and name HA  ))
       4.000     2.000     2.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.58625E-03 ppm1      1.800 ppm2      4.536 CV     1
  ASSI { 1157}
    (  segid "    " and resid 14   and name HG2%)
    (( segid "    " and resid 87   and name HB  ))
       4.100     2.100     1.900 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.58625E-03 ppm1      0.131 ppm2      1.708 CV     1
  ASSI { 1163}
    (( segid "    " and resid 70   and name HB1 ))
    (( segid "    " and resid 70   and name HN  ))
       3.400     1.400     1.400 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.58378E-03 ppm1      2.041 ppm2      7.563 CV     1
  ASSI { 1171}
    (( segid "    " and resid 48   and name HG1 ))
    (( segid "    " and resid 48   and name HA  ))
       3.800     1.800     1.800 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.57711E-03 ppm1      2.768 ppm2      4.984 CV     1
  ASSI { 1176}
    (( segid "    " and resid 63   and name HG1 ))
    (( segid "    " and resid 63   and name HN  ))
       3.600     1.600     1.600 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.57378E-03 ppm1      2.019 ppm2      7.586 CV     1
  ASSI { 1177}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 43   and name HD2 ))
       3.000     3.000     3.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.57296E-03 ppm1      1.043 ppm2      3.526 CV     1
  ASSI { 1178}
    (( segid "    " and resid 74   and name HB2 ))
    (( segid "    " and resid 84   and name HA  ))
       3.700     1.700     1.700 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.57296E-03 ppm1      1.810 ppm2      4.814 CV     1
  ASSI { 1180}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 74   and name HE1 ))
       3.900     1.900     1.900 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.57208E-03 ppm1      5.342 ppm2      2.975 CV     1
  ASSI { 1181}
    (  segid "    " and resid 31   and name HD1%)
    (  segid "    " and resid 32   and name HD1%)
       3.700     1.700     1.700 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.57044E-03 ppm1      0.831 ppm2      0.525 CV     1
  ASSI { 1182}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 20   and name HG1 ))
       3.800     3.800     2.200 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.56962E-03 ppm1      2.567 ppm2      1.675 CV     1
  ASSI { 1187}
    (( segid "    " and resid 45   and name HB1 ))
    (( segid "    " and resid 45   and name HG1 ))
       3.400     1.400     1.400 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.56295E-03 ppm1      1.135 ppm2      0.599 CV     1
  ASSI { 1193}
    (( segid "    " and resid 82   and name HB1 ))
    (  segid "    " and resid 83   and name HG1%)
       4.100     2.100     1.900 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.56043E-03 ppm1      3.881 ppm2      0.709 CV     1
  ASSI { 1195}
    (( segid "    " and resid 85   and name HA  ))
    (  segid "    " and resid 12   and name HG2%)
       3.900     1.900     1.900 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.55961E-03 ppm1      5.280 ppm2      0.816 CV     1
  ASSI { 1196}
    (( segid "    " and resid 66   and name HD1 ))
    (( segid "    " and resid 66   and name HA  ))
       3.700     1.700     1.700 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.55797E-03 ppm1      3.745 ppm2      4.601 CV     1
  ASSI { 1198}
    (( segid "    " and resid 26   and name HB1 ))
    (( segid "    " and resid 23   and name HN  ))
       3.400     1.500     1.500 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.55628E-03 ppm1      3.484 ppm2      6.730 CV     1
  ASSI { 1207}
    (( segid "    " and resid 65   and name HB2 ))
    (( segid "    " and resid 66   and name HD1 ))
       4.400     2.400     1.600 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.54961E-03 ppm1      2.788 ppm2      3.717 CV     1
  ASSI { 1208}
    (( segid "    " and resid 44   and name HG2 ))
    (  segid "    " and resid 83   and name HG1%)
       3.700     1.700     1.700 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.54961E-03 ppm1      2.090 ppm2      0.752 CV     1
  ASSI { 1213}
    (  segid "    " and resid 62   and name HD2%)
    (( segid "    " and resid 59   and name HA  ))
       3.900     1.900     1.900 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.54463E-03 ppm1      0.296 ppm2      3.478 CV     1
  ASSI { 1215}
    (( segid "    " and resid 36   and name HG1 ))
    (( segid "    " and resid 36   and name HN  ))
       4.100     2.100     1.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.54046E-03 ppm1      2.800 ppm2      7.582 CV     1
  ASSI { 1217}
    (  segid "    " and resid 14   and name HD1%)
    (( segid "    " and resid 14   and name HN  ))
       4.300     2.300     1.700 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.53880E-03 ppm1      0.816 ppm2      8.603 CV     1
  ASSI { 1219}
    (( segid "    " and resid 17   and name HD1 ))
    (( segid "    " and resid 17   and name HG2 ))
       3.700     1.700     1.700 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.53880E-03 ppm1      4.096 ppm2      2.086 CV     1
  ASSI { 1222}
    (( segid "    " and resid 39   and name HB  ))
    (( segid "    " and resid 41   and name HN  ))
       4.400     2.400     1.600 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.53796E-03 ppm1      2.023 ppm2      8.420 CV     1
  ASSI { 1227}
    (  segid "    " and resid 55   and name HD1%)
    (( segid "    " and resid 36   and name HG2 ))
       3.700     1.800     1.800 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.53463E-03 ppm1      0.708 ppm2      2.623 CV     1
  ASSI { 1228}
    (( segid "    " and resid 21   and name HG12))
    (( segid "    " and resid 21   and name HA  ))
       4.100     2.100     1.900 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.53463E-03 ppm1      0.958 ppm2      4.292 CV     1
  ASSI { 1230}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 89   and name HZ  ))
       3.700     1.700     1.700 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.53380E-03 ppm1      0.744 ppm2      7.116 CV     1
  ASSI { 1231}
    (  segid "    " and resid 14   and name HD1%)
    (( segid "    " and resid 15   and name HN  ))
       4.800     2.900     1.200 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.53297E-03 ppm1      0.810 ppm2      8.931 CV     1
  ASSI { 1234}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 21   and name HB  ))
       4.300     2.300     1.700 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.53213E-03 ppm1      2.660 ppm2      1.261 CV     1
  ASSI { 1236}
    (( segid "    " and resid 45   and name HB2 ))
    (( segid "    " and resid 45   and name HA  ))
       3.400     1.500     1.500 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.53047E-03 ppm1      0.786 ppm2      4.322 CV     1
  ASSI { 1237}
    (  segid "    " and resid 23   and name HB% )
    (( segid "    " and resid 26   and name HB1 ))
       3.400     1.500     1.500 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.53047E-03 ppm1      1.556 ppm2      3.473 CV     1
  ASSI { 1239}
    (  segid "    " and resid 68   and name HD1%)
    (( segid "    " and resid 68   and name HA  ))
       4.600     2.700     1.400 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.52964E-03 ppm1      0.904 ppm2      4.136 CV     1
  ASSI { 1240}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 58   and name HN  ))
       3.900     1.900     1.900 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.52880E-03 ppm1      0.572 ppm2      8.592 CV     1
  ASSI { 1247}
    (  segid "    " and resid 12   and name HG1%)
    (( segid "    " and resid 12   and name HN  ))
       3.900     1.900     1.900 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.52381E-03 ppm1      0.919 ppm2      8.616 CV     1
  ASSI { 1257}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 62   and name HN  ))
       3.900     1.900     1.900 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.51631E-03 ppm1      0.813 ppm2      7.119 CV     1
  ASSI { 1258}
    (( segid "    " and resid 70   and name HB2 ))
    (  segid "    " and resid 71   and name HG2%)
       4.100     2.100     1.900 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.51631E-03 ppm1      1.591 ppm2      0.764 CV     1
  ASSI { 1264}
    (  segid "    " and resid 27   and name HB% )
    (( segid "    " and resid 28   and name HA  ))
       3.800     1.800     1.800 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.51215E-03 ppm1      0.747 ppm2      4.302 CV     1
  ASSI { 1266}
    (( segid "    " and resid 21   and name HB  ))
    (( segid "    " and resid 20   and name HN  ))
       4.300     2.300     1.700 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.51048E-03 ppm1      1.279 ppm2      7.102 CV     1
  ASSI { 1267}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 36   and name HA  ))
       3.500     1.500     1.500 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.50965E-03 ppm1      2.907 ppm2      4.717 CV     1
  ASSI { 1272}
    (( segid "    " and resid 36   and name HG2 ))
    (  segid "    " and resid 14   and name HG2%)
       3.500     1.500     1.500 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.50465E-03 ppm1      2.635 ppm2      0.132 CV     1
  ASSI { 1276}
    (  segid "    " and resid 88   and name HD1%)
    (( segid "    " and resid 13   and name HA  ))
       3.100     3.100     2.900 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.50215E-03 ppm1      0.004 ppm2      5.061 CV     1
  ASSI { 1279}
    (( segid "    " and resid 74   and name HD1 ))
    (( segid "    " and resid 81   and name HN  ))
       3.800     1.800     1.800 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.50132E-03 ppm1      1.680 ppm2      7.728 CV     1
  ASSI { 1287}
    (( segid "    " and resid 62   and name HG  ))
    (( segid "    " and resid 62   and name HA  ))
       3.600     1.600     1.600 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.49716E-03 ppm1      1.139 ppm2      3.950 CV     1
  ASSI { 1289}
    (  segid "    " and resid 68   and name HD1%)
    (  segid "    " and resid 21   and name HG2%)
       4.200     2.200     1.800 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.49549E-03 ppm1      0.905 ppm2      0.719 CV     1
  ASSI { 1291}
    (( segid "    " and resid 25   and name HA1 ))
    (( segid "    " and resid 27   and name HN  ))
       4.300     2.300     1.700 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.49549E-03 ppm1      4.075 ppm2      6.873 CV     1
  ASSI { 1294}
    (  segid "    " and resid 48   and name HE% )
    (( segid "    " and resid 49   and name HD1 ))
       3.700     1.700     1.700 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.49216E-03 ppm1      2.154 ppm2      3.922 CV     1
  ASSI { 1297}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 57   and name HN  ))
       3.700     1.700     1.700 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.48966E-03 ppm1      4.050 ppm2      8.491 CV     1
  ASSI { 1303}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 70   and name HA  ))
       3.800     1.800     1.800 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.48716E-03 ppm1      0.814 ppm2      4.980 CV     1
  ASSI { 1306}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 40   and name HA  ))
       3.400     1.400     1.400 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.48716E-03 ppm1      2.907 ppm2      4.783 CV     1
  ASSI { 1308}
    (( segid "    " and resid 51   and name HA  ))
    (  segid "    " and resid 54   and name HG2%)
       4.000     2.000     2.000 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.48633E-03 ppm1      3.816 ppm2      0.515 CV     1
  ASSI { 1318}
    (  segid "    " and resid 36   and name HE% )
    (( segid "    " and resid 36   and name HG2 ))
       3.700     1.700     1.700 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.48217E-03 ppm1      1.937 ppm2      2.623 CV     1
  ASSI { 1320}
    (  segid "    " and resid 73   and name HD2%)
    (( segid "    " and resid 73   and name HN  ))
       3.900     1.900     1.900 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.48134E-03 ppm1      0.615 ppm2      9.211 CV     1
  ASSI { 1324}
    (( segid "    " and resid 27   and name HA  ))
    (  segid "    " and resid 26   and name HD% )
       3.600     1.600     1.600 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.47717E-03 ppm1      3.436 ppm2      7.058 CV     1
  ASSI { 1326}
    (( segid "    " and resid 43   and name HB1 ))
    (( segid "    " and resid 44   and name HN  ))
       4.100     2.100     1.900 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.47467E-03 ppm1      2.367 ppm2      8.531 CV     1
  ASSI { 1331}
    (  segid "    " and resid 31   and name HD1%)
    (( segid "    " and resid 31   and name HN  ))
       4.100     2.100     1.900 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.47301E-03 ppm1      0.823 ppm2      8.315 CV     1
  ASSI { 1334}
    (  segid "    " and resid 42   and name HG2%)
    (( segid "    " and resid 44   and name HN  ))
       3.100     3.100     2.900 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.47134E-03 ppm1      1.172 ppm2      8.504 CV     1
  ASSI { 1337}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 56   and name HA  ))
       4.200     2.200     1.800 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.46968E-03 ppm1      0.679 ppm2      4.032 CV     1
  ASSI { 1338}
    (( segid "    " and resid 61   and name HA  ))
    (( segid "    " and resid 64   and name HN  ))
       3.700     1.700     1.700 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.46884E-03 ppm1      4.052 ppm2      7.326 CV     1
  ASSI { 1341}
    (  segid "    " and resid 14   and name HD1%)
    (( segid "    " and resid 73   and name HB2 ))
       3.900     1.900     1.900 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.46884E-03 ppm1      0.818 ppm2      1.745 CV     1
  ASSI { 1347}
    (( segid "    " and resid 38   and name HB1 ))
    (( segid "    " and resid 40   and name HB2 ))
       3.800     1.800     1.800 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.46551E-03 ppm1      2.052 ppm2      2.890 CV     1
  ASSI { 1352}
    (( segid "    " and resid 53   and name HB1 ))
    (  segid "    " and resid 50   and name HD1%)
       4.100     2.100     1.900 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.46385E-03 ppm1      3.738 ppm2      1.029 CV     1
  ASSI { 1354}
    (( segid "    " and resid 89   and name HA  ))
    (( segid "    " and resid 18   and name HB2 ))
       3.700     1.700     1.700 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.46301E-03 ppm1      5.690 ppm2      1.316 CV     1
  ASSI { 1361}
    (  segid "    " and resid 33   and name HD1%)
    (( segid "    " and resid 35   and name HN  ))
       3.100     3.100     2.900 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.46135E-03 ppm1      0.801 ppm2      8.069 CV     1
  ASSI { 1366}
    (( segid "    " and resid 53   and name HB1 ))
    (( segid "    " and resid 53   and name HA  ))
       3.700     1.700     1.700 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.45718E-03 ppm1      3.744 ppm2      4.278 CV     1
  ASSI { 1367}
    (  segid "    " and resid 52   and name HB% )
    (( segid "    " and resid 48   and name HG1 ))
       3.200     1.300     1.300 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.45718E-03 ppm1      1.551 ppm2      2.749 CV     1
  ASSI { 1368}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 85   and name HN  ))
       4.000     2.000     2.000 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.45718E-03 ppm1      0.512 ppm2      9.226 CV     1
  ASSI { 1369}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
       3.700     1.700     1.700 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.45552E-03 ppm1      4.066 ppm2      6.714 CV     1
  ASSI { 1373}
    (  segid "    " and resid 48   and name HE% )
    (( segid "    " and resid 49   and name HD2 ))
       4.100     2.100     1.900 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.45302E-03 ppm1      2.150 ppm2      3.629 CV     1
  ASSI { 1377}
    (( segid "    " and resid 17   and name HD1 ))
    (  segid "    " and resid 31   and name HD2%)
       3.800     1.800     1.800 peak  1377 spectrum    1 weight  0.11000E+01 volume  0.45136E-03 ppm1      4.093 ppm2      0.836 CV     1
  ASSI { 1378}
    (( segid "    " and resid 17   and name HD1 ))
    (  segid "    " and resid 32   and name HD2%)
       4.400     2.400     1.600 peak  1378 spectrum    1 weight  0.11000E+01 volume  0.45136E-03 ppm1      4.092 ppm2      0.469 CV     1
  ASSI { 1380}
    (( segid "    " and resid 52   and name HA  ))
    (( segid "    " and resid 56   and name HN  ))
       3.800     1.800     1.800 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.44969E-03 ppm1      4.064 ppm2      8.341 CV     1
  ASSI { 1384}
    (( segid "    " and resid 19   and name HE1 ))
    (( segid "    " and resid 92   and name HG1 ))
       3.800     1.800     1.800 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.44719E-03 ppm1      3.012 ppm2      2.261 CV     1
  ASSI { 1385}
    (  segid "    " and resid 14   and name HG2%)
    (( segid "    " and resid 32   and name HG  ))
       4.000     2.000     2.000 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.44719E-03 ppm1      0.123 ppm2      1.548 CV     1
  ASSI { 1387}
    (  segid "    " and resid 42   and name HG2%)
    (( segid "    " and resid 41   and name HB1 ))
       3.600     1.600     1.600 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.44553E-03 ppm1      1.162 ppm2      2.933 CV     1
  ASSI { 1388}
    (( segid "    " and resid 14   and name HB  ))
    (  segid "    " and resid 87   and name HG1%)
       4.000     2.000     2.000 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.44553E-03 ppm1      1.269 ppm2      0.526 CV     1
  ASSI { 1398}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 44   and name HN  ))
       3.800     1.800     1.800 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.43803E-03 ppm1      1.807 ppm2      8.495 CV     1
  ASSI { 1407}
    (( segid "    " and resid 59   and name HB1 ))
    (  segid "    " and resid 21   and name HD1%)
       4.800     2.800     1.200 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.43303E-03 ppm1      2.742 ppm2      0.670 CV     1
  ASSI { 1411}
    (  segid "    " and resid 87   and name HG2%)
    (( segid "    " and resid 88   and name HA  ))
       4.100     2.100     1.900 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.42887E-03 ppm1      0.235 ppm2      3.766 CV     1
  ASSI { 1412}
    (( segid "    " and resid 49   and name HG2 ))
    (( segid "    " and resid 48   and name HA  ))
       4.400     2.500     1.600 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.42887E-03 ppm1      2.050 ppm2      4.992 CV     1
  ASSI { 1413}
    (  segid "    " and resid 54   and name HG2%)
    (  segid "    " and resid 87   and name HG2%)
       4.000     2.000     2.000 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.42887E-03 ppm1      0.527 ppm2      0.231 CV     1
  ASSI { 1414}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 55   and name HN  ))
       3.700     1.700     1.700 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.42804E-03 ppm1      2.835 ppm2      7.556 CV     1
  ASSI { 1415}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 42   and name HN  ))
       4.800     2.900     1.200 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.42804E-03 ppm1      2.912 ppm2      7.513 CV     1
  ASSI { 1417}
    (( segid "    " and resid 50   and name HB1 ))
    (( segid "    " and resid 51   and name HN  ))
       3.300     1.400     1.400 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.42804E-03 ppm1      2.244 ppm2      8.054 CV     1
  ASSI { 1418}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 71   and name HA  ))
       4.900     3.000     1.100 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.42804E-03 ppm1      2.785 ppm2      4.435 CV     1
  ASSI { 1424}
    (( segid "    " and resid 73   and name HB1 ))
    (( segid "    " and resid 73   and name HA  ))
       3.500     1.600     1.600 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.42554E-03 ppm1      1.928 ppm2      4.997 CV     1
  ASSI { 1427}
    (( segid "    " and resid 67   and name HD1 ))
    (( segid "    " and resid 67   and name HN  ))
       4.100     2.100     1.900 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.42387E-03 ppm1      1.662 ppm2      7.602 CV     1
  ASSI { 1428}
    (( segid "    " and resid 89   and name HB1 ))
    (( segid "    " and resid 18   and name HB2 ))
       3.200     1.300     1.300 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.42304E-03 ppm1      2.922 ppm2      1.286 CV     1
  ASSI { 1430}
    (( segid "    " and resid 11   and name HB1 ))
    (( segid "    " and resid 10   and name HA  ))
       4.300     2.300     1.700 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.42304E-03 ppm1      2.538 ppm2      4.140 CV     1
  ASSI { 1433}
    (  segid "    " and resid 73   and name HD2%)
    (( segid "    " and resid 53   and name HH2 ))
       3.900     1.900     1.900 peak  1433 spectrum    1 weight  0.11000E+01 volume  0.42221E-03 ppm1      0.621 ppm2      6.780 CV     1
  ASSI { 1438}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 36   and name HN  ))
       3.800     1.800     1.800 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.42054E-03 ppm1      4.313 ppm2      7.585 CV     1
  ASSI { 1439}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 85   and name HB1 ))
       3.700     1.700     1.700 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.42054E-03 ppm1      0.575 ppm2      3.023 CV     1
  ASSI { 1441}
    (( segid "    " and resid 59   and name HB2 ))
    (  segid "    " and resid 21   and name HD1%)
       3.400     1.500     1.500 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.41971E-03 ppm1      2.113 ppm2      0.680 CV     1
  ASSI { 1447}
    (  segid "    " and resid 88   and name HD1%)
    (( segid "    " and resid 88   and name HA  ))
       4.200     2.200     1.800 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.41638E-03 ppm1      0.013 ppm2      3.765 CV     1
  ASSI { 1452}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 23   and name HN  ))
       4.200     2.200     1.800 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.41138E-03 ppm1      2.571 ppm2      6.721 CV     1
  ASSI { 1456}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
       3.600     1.600     1.600 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.41055E-03 ppm1      5.585 ppm2      8.744 CV     1
  ASSI { 1471}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 58   and name HN  ))
       3.900     1.900     1.900 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.40555E-03 ppm1      2.831 ppm2      8.593 CV     1
  ASSI { 1474}
    (( segid "    " and resid 43   and name HD2 ))
    (( segid "    " and resid 44   and name HA  ))
       4.400     2.400     1.600 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.40472E-03 ppm1      3.516 ppm2      4.158 CV     1
  ASSI { 1475}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 59   and name HN  ))
       3.800     1.800     1.800 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.40389E-03 ppm1      4.037 ppm2      8.125 CV     1
  ASSI { 1479}
    (( segid "    " and resid 66   and name HB1 ))
    (( segid "    " and resid 63   and name HA  ))
       3.500     1.500     1.500 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.40305E-03 ppm1      2.377 ppm2      3.720 CV     1
  ASSI { 1481}
    (( segid "    " and resid 72   and name HB2 ))
    (( segid "    " and resid 72   and name HN  ))
       3.500     1.600     1.600 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.40222E-03 ppm1      2.641 ppm2      8.668 CV     1
  ASSI { 1485}
    (  segid "    " and resid 31   and name HD1%)
    (( segid "    " and resid 31   and name HA  ))
       3.800     1.800     1.800 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.40056E-03 ppm1      0.833 ppm2      4.132 CV     1
  ASSI { 1488}
    (  segid "    " and resid 48   and name HE% )
    (( segid "    " and resid 48   and name HA  ))
       3.900     1.900     1.900 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.39972E-03 ppm1      2.151 ppm2      4.996 CV     1
  ASSI { 1491}
    (( segid "    " and resid 74   and name HE1 ))
    (  segid "    " and resid 83   and name HG1%)
       3.800     1.800     1.800 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.39806E-03 ppm1      3.017 ppm2      0.728 CV     1
  ASSI { 1497}
    (( segid "    " and resid 69   and name HB1 ))
    (  segid "    " and resid 88   and name HG2%)
       3.900     1.900     1.900 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.39389E-03 ppm1      2.400 ppm2      0.723 CV     1
  ASSI { 1507}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 70   and name HB2 ))
       3.900     1.900     1.900 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.38973E-03 ppm1      4.453 ppm2      1.602 CV     1
  ASSI { 1508}
    (  segid "    " and resid 73   and name HD1%)
    (( segid "    " and resid 75   and name HD2 ))
       3.500     3.500     2.500 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.38890E-03 ppm1      0.698 ppm2      3.882 CV     1
  ASSI { 1511}
    (( segid "    " and resid 36   and name HB1 ))
    (  segid "    " and resid 39   and name HG2%)
       4.000     2.000     2.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.38806E-03 ppm1      2.358 ppm2      1.097 CV     1
  ASSI { 1519}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 57   and name HN  ))
       4.100     2.100     1.900 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.38390E-03 ppm1      0.541 ppm2      8.504 CV     1
  ASSI { 1530}
    (  segid "    " and resid 31   and name HD1%)
    (( segid "    " and resid 35   and name HE22))
       3.700     1.700     1.700 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.37807E-03 ppm1      0.826 ppm2      7.077 CV     1
  ASSI { 1534}
    (( segid "    " and resid 85   and name HA  ))
    (  segid "    " and resid 12   and name HG1%)
       3.900     1.900     1.900 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.37641E-03 ppm1      5.264 ppm2      0.957 CV     1
  ASSI { 1535}
    (  segid "    " and resid 87   and name HG2%)
    (( segid "    " and resid 73   and name HB1 ))
       3.200     3.200     2.800 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.37557E-03 ppm1      0.239 ppm2      1.950 CV     1
  ASSI { 1544}
    (( segid "    " and resid 75   and name HG2 ))
    (( segid "    " and resid 74   and name HA  ))
       4.900     3.000     1.100 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.37224E-03 ppm1      1.874 ppm2      5.322 CV     1
  ASSI { 1548}
    (( segid "    " and resid 47   and name HA2 ))
    (( segid "    " and resid 43   and name HB2 ))
       4.400     2.400     1.600 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.36974E-03 ppm1      3.627 ppm2      2.064 CV     1
  ASSI { 1553}
    (( segid "    " and resid 19   and name HE1 ))
    (( segid "    " and resid 92   and name HA  ))
       4.000     2.000     2.000 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.36641E-03 ppm1      2.992 ppm2      4.170 CV     1
  ASSI { 1555}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 21   and name HN  ))
       4.600     2.600     1.400 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.36558E-03 ppm1      0.676 ppm2      7.736 CV     1
  ASSI { 1557}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 66   and name HD2 ))
       4.300     2.300     1.700 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.36475E-03 ppm1      3.974 ppm2      3.462 CV     1
  ASSI { 1564}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 39   and name HA  ))
       4.400     2.400     1.600 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.36225E-03 ppm1      2.912 ppm2      4.047 CV     1
  ASSI { 1565}
    (( segid "    " and resid 25   and name HA1 ))
    (  segid "    " and resid 23   and name HB% )
       4.300     2.300     1.700 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.36142E-03 ppm1      4.086 ppm2      1.565 CV     1
  ASSI { 1568}
    (( segid "    " and resid 29   and name HB1 ))
    (( segid "    " and resid 26   and name HA  ))
       4.200     2.200     1.800 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.36058E-03 ppm1      3.016 ppm2      4.229 CV     1
  ASSI { 1573}
    (( segid "    " and resid 66   and name HD2 ))
    (( segid "    " and resid 67   and name HN  ))
       3.600     1.600     1.600 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.35892E-03 ppm1      3.450 ppm2      7.603 CV     1
  ASSI { 1574}
    (  segid "    " and resid 31   and name HD1%)
    (( segid "    " and resid 35   and name HA  ))
       3.900     1.900     1.900 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.35892E-03 ppm1      0.824 ppm2      4.312 CV     1
  ASSI { 1586}
    (( segid "    " and resid 89   and name HA  ))
    (( segid "    " and resid 18   and name HA  ))
       4.000     2.000     2.000 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.35226E-03 ppm1      5.677 ppm2      3.742 CV     1
  ASSI { 1588}
    (( segid "    " and resid 72   and name HB2 ))
    (( segid "    " and resid 84   and name HB1 ))
       4.200     2.200     1.800 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.35142E-03 ppm1      2.646 ppm2      2.184 CV     1
  ASSI { 1589}
    (( segid "    " and resid 70   and name HB1 ))
    (( segid "    " and resid 89   and name HB1 ))
       4.800     2.800     1.200 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.35059E-03 ppm1      2.056 ppm2      2.937 CV     1
  ASSI { 1591}
    (( segid "    " and resid 43   and name HB1 ))
    (( segid "    " and resid 43   and name HD1 ))
       4.000     2.000     2.000 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.35059E-03 ppm1      2.368 ppm2      3.569 CV     1
  ASSI { 1592}
    (( segid "    " and resid 20   and name HB1 ))
    (( segid "    " and resid 17   and name HD2 ))
       4.000     2.000     2.000 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.34976E-03 ppm1      1.936 ppm2      3.406 CV     1
  ASSI { 1600}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 74   and name HA  ))
       4.100     2.100     1.900 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.34559E-03 ppm1      0.523 ppm2      5.315 CV     1
  ASSI { 1603}
    (( segid "    " and resid 90   and name HB2 ))
    (( segid "    " and resid 92   and name HB1 ))
       3.900     1.900     1.900 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.34310E-03 ppm1      2.482 ppm2      1.915 CV     1
  ASSI { 1611}
    (( segid "    " and resid 45   and name HB2 ))
    (( segid "    " and resid 46   and name HB1 ))
       4.900     3.000     1.100 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.33977E-03 ppm1      0.773 ppm2      2.302 CV     1
  ASSI { 1613}
    (( segid "    " and resid 54   and name HB  ))
    (( segid "    " and resid 54   and name HA  ))
       3.800     1.800     1.800 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.33893E-03 ppm1      2.115 ppm2      2.843 CV     1
  ASSI { 1614}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 55   and name HA  ))
       3.900     1.900     1.900 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.33893E-03 ppm1      0.586 ppm2      3.320 CV     1
  ASSI { 1620}
    (( segid "    " and resid 66   and name HD1 ))
    (( segid "    " and resid 67   and name HE1 ))
       4.700     2.700     1.300 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.33727E-03 ppm1      3.744 ppm2      3.010 CV     1
  ASSI { 1622}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 54   and name HN  ))
       4.100     2.100     1.900 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.33727E-03 ppm1      3.813 ppm2      8.315 CV     1
  ASSI { 1624}
    (( segid "    " and resid 55   and name HB  ))
    (( segid "    " and resid 16   and name HZ  ))
       4.600     2.700     1.400 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.33643E-03 ppm1      1.755 ppm2      7.221 CV     1
  ASSI { 1628}
    (( segid "    " and resid 72   and name HA  ))
    (  segid "    " and resid 71   and name HG2%)
       4.000     2.000     2.000 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.33560E-03 ppm1      5.408 ppm2      0.782 CV     1
  ASSI { 1629}
    (( segid "    " and resid 51   and name HB1 ))
    (( segid "    " and resid 40   and name HB2 ))
       3.500     1.600     1.600 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.33477E-03 ppm1      2.256 ppm2      2.932 CV     1
  ASSI { 1632}
    (( segid "    " and resid 21   and name HA  ))
    (  segid "    " and resid 23   and name HB% )
       4.200     2.200     1.800 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.33310E-03 ppm1      4.304 ppm2      1.551 CV     1
  ASSI { 1638}
    (  segid "    " and resid 55   and name HG2%)
    (( segid "    " and resid 26   and name HB2 ))
       3.300     1.400     1.400 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.33061E-03 ppm1      0.824 ppm2      2.552 CV     1
  ASSI { 1647}
    (( segid "    " and resid 49   and name HG2 ))
    (( segid "    " and resid 52   and name HN  ))
       4.300     2.400     1.700 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.32894E-03 ppm1      2.076 ppm2      7.091 CV     1
  ASSI { 1651}
    (( segid "    " and resid 21   and name HG11))
    (( segid "    " and resid 59   and name HB2 ))
       4.100     2.100     1.900 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.32561E-03 ppm1      1.007 ppm2      2.128 CV     1
  ASSI { 1652}
    (( segid "    " and resid 84   and name HB1 ))
    (( segid "    " and resid 12   and name HN  ))
       4.400     2.400     1.600 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.32561E-03 ppm1      2.187 ppm2      8.651 CV     1
  ASSI { 1653}
    (( segid "    " and resid 59   and name HA  ))
    (  segid "    " and resid 58   and name HB% )
       4.100     2.100     1.900 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.32478E-03 ppm1      3.481 ppm2      1.608 CV     1
  ASSI { 1655}
    (( segid "    " and resid 55   and name HG11))
    (( segid "    " and resid 54   and name HA  ))
       4.300     2.300     1.700 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.32478E-03 ppm1      1.884 ppm2      2.882 CV     1
  ASSI { 1663}
    (( segid "    " and resid 20   and name HD1 ))
    (  segid "    " and resid 31   and name HD1%)
       4.100     2.100     1.900 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.32228E-03 ppm1      3.123 ppm2      0.833 CV     1
  ASSI { 1669}
    (( segid "    " and resid 74   and name HE1 ))
    (( segid "    " and resid 75   and name HD1 ))
       4.700     2.800     1.300 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.32145E-03 ppm1      3.004 ppm2      4.230 CV     1
  ASSI { 1673}
    (  segid "    " and resid 55   and name HD1%)
    (( segid "    " and resid 55   and name HA  ))
       4.900     3.000     1.100 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.31728E-03 ppm1      0.709 ppm2      3.305 CV     1
  ASSI { 1682}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 35   and name HG1 ))
       4.200     2.200     1.800 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.31312E-03 ppm1      3.934 ppm2      2.864 CV     1
  ASSI { 1683}
    (( segid "    " and resid 36   and name HB1 ))
    (( segid "    " and resid 40   and name HB2 ))
       3.600     1.600     1.600 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.31229E-03 ppm1      2.351 ppm2      2.938 CV     1
  ASSI { 1685}
    (( segid "    " and resid 48   and name HB1 ))
    (( segid "    " and resid 49   and name HD2 ))
       4.500     2.600     1.500 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.31145E-03 ppm1      2.317 ppm2      3.648 CV     1
  ASSI { 1696}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 27   and name HN  ))
       4.100     2.100     1.900 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.30646E-03 ppm1      2.560 ppm2      6.840 CV     1
  ASSI { 1699}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 46   and name HN  ))
       4.100     2.100     1.900 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.30646E-03 ppm1      1.053 ppm2      8.690 CV     1
  ASSI { 1703}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       4.000     2.000     2.000 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.30479E-03 ppm1      3.970 ppm2      7.239 CV     1
  ASSI { 1709}
    (( segid "    " and resid 72   and name HA  ))
    (  segid "    " and resid 87   and name HG1%)
       4.400     2.500     1.600 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.30229E-03 ppm1      5.413 ppm2      0.524 CV     1
  ASSI { 1713}
    (( segid "    " and resid 55   and name HA  ))
    (  segid "    " and resid 16   and name HD% )
       4.500     2.500     1.500 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.30146E-03 ppm1      3.312 ppm2      6.996 CV     1
  ASSI { 1725}
    (( segid "    " and resid 70   and name HB2 ))
    (( segid "    " and resid 88   and name HG12))
       3.800     1.800     1.800 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.29813E-03 ppm1      1.583 ppm2      0.346 CV     1
  ASSI { 1726}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 40   and name HB2 ))
       4.000     2.000     2.000 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.29730E-03 ppm1      1.047 ppm2      2.917 CV     1
  ASSI { 1727}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 40   and name HB2 ))
       3.400     1.400     1.400 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.29730E-03 ppm1      1.029 ppm2      2.923 CV     1
  ASSI { 1730}
    (  segid "    " and resid 77   and name HB% )
    (( segid "    " and resid 76   and name HN  ))
       4.800     2.900     1.200 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.29646E-03 ppm1      1.437 ppm2     10.052 CV     1
  ASSI { 1736}
    (( segid "    " and resid 19   and name HD1 ))
    (( segid "    " and resid 19   and name HN  ))
       4.200     2.200     1.800 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.29396E-03 ppm1      1.656 ppm2      8.961 CV     1
  ASSI { 1748}
    (  segid "    " and resid 23   and name HB% )
    (( segid "    " and resid 19   and name HA  ))
       3.400     3.400     2.600 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.28980E-03 ppm1      1.567 ppm2      3.892 CV     1
  ASSI { 1750}
    (( segid "    " and resid 66   and name HD2 ))
    (( segid "    " and resid 67   and name HE1 ))
       3.700     1.800     1.800 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.28897E-03 ppm1      3.467 ppm2      3.025 CV     1
  ASSI { 1751}
    (( segid "    " and resid 32   and name HB1 ))
    (( segid "    " and resid 29   and name HB1 ))
       3.700     1.700     1.700 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.28897E-03 ppm1      1.990 ppm2      3.033 CV     1
  ASSI { 1753}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 87   and name HG2%)
       4.100     2.100     1.900 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.28730E-03 ppm1      2.651 ppm2      0.226 CV     1
  ASSI { 1754}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 17   and name HD2 ))
       3.700     1.700     1.700 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.28647E-03 ppm1      1.706 ppm2      3.441 CV     1
  ASSI { 1755}
    (  segid "    " and resid 42   and name HG2%)
    (( segid "    " and resid 41   and name HB2 ))
       4.300     2.300     1.700 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.28647E-03 ppm1      1.172 ppm2      2.613 CV     1
  ASSI { 1759}
    (( segid "    " and resid 40   and name HB2 ))
    (  segid "    " and resid 39   and name HG1%)
       3.500     3.500     2.500 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.28564E-03 ppm1      2.911 ppm2      1.132 CV     1
  ASSI { 1763}
    (( segid "    " and resid 63   and name HG1 ))
    (( segid "    " and resid 64   and name HN  ))
       4.600     2.600     1.400 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.28397E-03 ppm1      2.016 ppm2      7.335 CV     1
  ASSI { 1766}
    (( segid "    " and resid 66   and name HG2 ))
    (( segid "    " and resid 67   and name HN  ))
       3.900     1.900     1.900 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.28397E-03 ppm1      1.932 ppm2      7.612 CV     1
  ASSI { 1768}
    (( segid "    " and resid 84   and name HG1 ))
    (( segid "    " and resid 74   and name HG2 ))
       3.800     1.800     1.800 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.28314E-03 ppm1      2.184 ppm2      1.476 CV     1
  ASSI { 1779}
    (( segid "    " and resid 36   and name HG1 ))
    (( segid "    " and resid 36   and name HA  ))
       4.300     2.300     1.700 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.27814E-03 ppm1      2.815 ppm2      4.699 CV     1
  ASSI { 1786}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 29   and name HB1 ))
       3.700     1.700     1.700 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.27648E-03 ppm1      0.910 ppm2      3.063 CV     1
  ASSI { 1793}
    (( segid "    " and resid 66   and name HG1 ))
    (( segid "    " and resid 65   and name HA  ))
       5.300     3.500     0.700 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.27398E-03 ppm1      2.024 ppm2      4.946 CV     1
  ASSI { 1794}
    (( segid "    " and resid 17   and name HD2 ))
    (  segid "    " and resid 31   and name HD2%)
       4.600     2.700     1.400 peak  1794 spectrum    1 weight  0.11000E+01 volume  0.27398E-03 ppm1      3.421 ppm2      0.834 CV     1
  ASSI { 1798}
    (( segid "    " and resid 21   and name HG12))
    (  segid "    " and resid 87   and name HG2%)
       4.200     2.200     1.800 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.27148E-03 ppm1      0.939 ppm2      0.225 CV     1
  ASSI { 1806}
    (( segid "    " and resid 11   and name HB1 ))
    (  segid "    " and resid 10   and name HG1%)
       4.600     2.700     1.400 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.26815E-03 ppm1      2.535 ppm2      0.937 CV     1
  ASSI { 1814}
    (( segid "    " and resid 45   and name HG1 ))
    (( segid "    " and resid 46   and name HG1 ))
       4.300     2.300     1.700 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.26565E-03 ppm1      0.607 ppm2      2.314 CV     1
  ASSI { 1820}
    (( segid "    " and resid 21   and name HG11))
    (( segid "    " and resid 21   and name HA  ))
       4.000     2.000     2.000 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.26399E-03 ppm1      1.021 ppm2      4.305 CV     1
  ASSI { 1826}
    (( segid "    " and resid 43   and name HD1 ))
    (  segid "    " and resid 50   and name HD1%)
       4.600     2.600     1.400 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.26315E-03 ppm1      3.574 ppm2      1.037 CV     1
  ASSI { 1836}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 75   and name HD2 ))
       4.300     2.300     1.700 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.25816E-03 ppm1      0.502 ppm2      3.891 CV     1
  ASSI { 1839}
    (( segid "    " and resid 26   and name HB2 ))
    (  segid "    " and resid 26   and name HE% )
       4.500     2.600     1.500 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.25816E-03 ppm1      2.568 ppm2      6.898 CV     1
  ASSI { 1840}
    (( segid "    " and resid 17   and name HG1 ))
    (( segid "    " and resid 17   and name HA  ))
       4.100     2.100     1.900 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.25732E-03 ppm1      2.250 ppm2      4.789 CV     1
  ASSI { 1844}
    (  segid "    " and resid 62   and name HD1%)
    (( segid "    " and resid 66   and name HB1 ))
       4.100     2.100     1.900 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.25649E-03 ppm1      0.383 ppm2      2.371 CV     1
  ASSI { 1847}
    (( segid "    " and resid 49   and name HG1 ))
    (( segid "    " and resid 48   and name HA  ))
       4.800     2.900     1.200 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.25566E-03 ppm1      2.198 ppm2      4.985 CV     1
  ASSI { 1850}
    (  segid "    " and resid 77   and name HB% )
    (( segid "    " and resid 80   and name HB2 ))
       4.100     2.100     1.900 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.25483E-03 ppm1      1.439 ppm2      2.711 CV     1
  ASSI { 1852}
    (( segid "    " and resid 89   and name HA  ))
    (( segid "    " and resid 17   and name HA  ))
       4.500     2.500     1.500 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.25483E-03 ppm1      5.665 ppm2      4.768 CV     1
  ASSI { 1874}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 55   and name HA  ))
       4.500     2.500     1.500 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.24900E-03 ppm1      3.498 ppm2      3.307 CV     1
  ASSI { 1879}
    (  segid "    " and resid 48   and name HE% )
    (( segid "    " and resid 52   and name HN  ))
       4.300     2.300     1.700 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.24733E-03 ppm1      2.149 ppm2      7.056 CV     1
  ASSI { 1880}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       4.100     2.100     1.900 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.24733E-03 ppm1      3.941 ppm2      8.309 CV     1
  ASSI { 1889}
    (( segid "    " and resid 92   and name HA  ))
    (( segid "    " and resid 91   and name HN  ))
       3.500     3.500     2.500 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.24400E-03 ppm1      4.155 ppm2      9.059 CV     1
  ASSI { 1895}
    (  segid "    " and resid 39   and name HG2%)
    (  segid "    " and resid 14   and name HG2%)
       3.500     1.500     1.500 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.24067E-03 ppm1      1.066 ppm2      0.118 CV     1
  ASSI { 1896}
    (( segid "    " and resid 62   and name HB1 ))
    (  segid "    " and resid 68   and name HD1%)
       5.000     3.200     1.000 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.24067E-03 ppm1      1.273 ppm2      0.903 CV     1
  ASSI { 1897}
    (  segid "    " and resid 88   and name HG2%)
    (( segid "    " and resid 15   and name HA  ))
       4.600     2.600     1.400 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.23984E-03 ppm1      0.703 ppm2      5.238 CV     1
  ASSI { 1903}
    (( segid "    " and resid 32   and name HB1 ))
    (( segid "    " and resid 31   and name HN  ))
       4.900     3.000     1.100 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.23817E-03 ppm1      1.972 ppm2      8.306 CV     1
  ASSI { 1910}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 51   and name HB1 ))
       4.700     2.800     1.300 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.23734E-03 ppm1      4.774 ppm2      2.284 CV     1
  ASSI { 1912}
    (( segid "    " and resid 21   and name HB  ))
    (  segid "    " and resid 58   and name HB% )
       4.700     2.800     1.300 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.23651E-03 ppm1      1.273 ppm2      1.590 CV     1
  ASSI { 1923}
    (( segid "    " and resid 28   and name HB1 ))
    (  segid "    " and resid 27   and name HB% )
       3.500     1.500     1.500 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.23567E-03 ppm1      2.182 ppm2      0.777 CV     1
  ASSI { 1924}
    (( segid "    " and resid 26   and name HA  ))
    (  segid "    " and resid 26   and name HD% )
       4.500     2.600     1.500 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.23484E-03 ppm1      4.221 ppm2      7.061 CV     1
  ASSI { 1930}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 44   and name HA  ))
       4.800     2.800     1.200 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.23234E-03 ppm1      1.801 ppm2      4.163 CV     1
  ASSI { 1931}
    (( segid "    " and resid 11   and name HB1 ))
    (( segid "    " and resid 12   and name HN  ))
       4.300     2.300     1.700 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.23151E-03 ppm1      2.542 ppm2      8.633 CV     1
  ASSI { 1939}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 34   and name HB1 ))
       4.300     2.300     1.700 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.22818E-03 ppm1      1.601 ppm2      3.024 CV     1
  ASSI { 1940}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 10   and name HB  ))
       5.200     3.400     0.800 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.22735E-03 ppm1      4.403 ppm2      2.044 CV     1
  ASSI { 1952}
    (( segid "    " and resid 74   and name HE1 ))
    (  segid "    " and resid 78   and name HG1%)
       4.400     2.500     1.600 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.22401E-03 ppm1      2.988 ppm2      0.937 CV     1
  ASSI { 1958}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 43   and name HA  ))
       5.000     3.100     1.000 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.22152E-03 ppm1      1.035 ppm2      4.529 CV     1
  ASSI { 1959}
    (( segid "    " and resid 30   and name HG1 ))
    (( segid "    " and resid 33   and name HG  ))
       4.400     2.400     1.600 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.22152E-03 ppm1      2.378 ppm2      1.540 CV     1
  ASSI { 1960}
    (( segid "    " and resid 89   and name HB2 ))
    (( segid "    " and resid 18   and name HB1 ))
       5.000     3.200     1.000 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.22068E-03 ppm1      2.795 ppm2      1.773 CV     1
  ASSI { 1965}
    (  segid "    " and resid 21   and name HD1%)
    (  segid "    " and resid 62   and name HD2%)
       4.800     2.800     1.200 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.21902E-03 ppm1      0.673 ppm2      0.272 CV     1
  ASSI { 1976}
    (( segid "    " and resid 74   and name HE1 ))
    (( segid "    " and resid 75   and name HD2 ))
       4.000     2.000     2.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.21485E-03 ppm1      2.977 ppm2      3.925 CV     1
  ASSI { 1980}
    (( segid "    " and resid 14   and name HB  ))
    (( segid "    " and resid 13   and name HA  ))
       5.100     3.300     0.900 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.21402E-03 ppm1      1.260 ppm2      5.082 CV     1
  ASSI { 1989}
    (( segid "    " and resid 30   and name HG1 ))
    (( segid "    " and resid 33   and name HB1 ))
       4.500     2.500     1.500 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.21319E-03 ppm1      2.358 ppm2      1.657 CV     1
  ASSI { 1991}
    (  segid "    " and resid 62   and name HD2%)
    (( segid "    " and resid 63   and name HA  ))
       4.300     2.300     1.700 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.21152E-03 ppm1      0.296 ppm2      3.733 CV     1
  ASSI { 1998}
    (( segid "    " and resid 75   and name HG2 ))
    (( segid "    " and resid 45   and name HN  ))
       4.500     2.600     1.500 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.20819E-03 ppm1      1.910 ppm2      8.408 CV     1
  ASSI { 2000}
    (( segid "    " and resid 21   and name HG12))
    (  segid "    " and resid 89   and name HE% )
       4.000     2.000     2.000 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.20819E-03 ppm1      0.981 ppm2      6.944 CV     1
  ASSI { 2012}
    (  segid "    " and resid 55   and name HD1%)
    (  segid "    " and resid 26   and name HE% )
       3.600     1.600     1.600 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.20569E-03 ppm1      0.707 ppm2      6.911 CV     1
  ASSI { 2021}
    (( segid "    " and resid 43   and name HD2 ))
    (( segid "    " and resid 43   and name HA  ))
       4.500     2.500     1.500 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.20236E-03 ppm1      3.513 ppm2      4.529 CV     1
  ASSI { 2025}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
       4.200     2.200     1.800 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.20153E-03 ppm1      4.421 ppm2      8.577 CV     1
  ASSI { 2030}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 11   and name HA  ))
       4.800     2.900     1.200 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.20070E-03 ppm1      4.098 ppm2      5.020 CV     1
  ASSI { 2043}
    (( segid "    " and resid 66   and name HG2 ))
    (( segid "    " and resid 66   and name HA  ))
       4.700     2.800     1.300 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.19820E-03 ppm1      1.914 ppm2      4.605 CV     1
  ASSI { 2045}
    (  segid "    " and resid 73   and name HD2%)
    (( segid "    " and resid 58   and name HA  ))
       4.300     2.300     1.700 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.19820E-03 ppm1      0.617 ppm2      4.012 CV     1
  ASSI { 2047}
    (( segid "    " and resid 54   and name HB  ))
    (( segid "    " and resid 51   and name HA  ))
       3.900     1.900     1.900 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.19737E-03 ppm1      2.123 ppm2      3.803 CV     1
  ASSI { 2048}
    (( segid "    " and resid 85   and name HA  ))
    (  segid "    " and resid 85   and name HE% )
       4.700     2.700     1.300 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.19737E-03 ppm1      5.276 ppm2      7.266 CV     1
  ASSI { 2061}
    (( segid "    " and resid 85   and name HA  ))
    (  segid "    " and resid 83   and name HG2%)
       4.500     2.500     1.500 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.19404E-03 ppm1      5.273 ppm2      0.494 CV     1
  ASSI { 2062}
    (( segid "    " and resid 67   and name HG1 ))
    (( segid "    " and resid 66   and name HD1 ))
       3.600     1.600     1.600 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.19320E-03 ppm1      1.403 ppm2      3.744 CV     1
  ASSI { 2107}
    (( segid "    " and resid 45   and name HG1 ))
    (( segid "    " and resid 43   and name HG2 ))
       4.700     2.800     1.300 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.18238E-03 ppm1      0.607 ppm2      1.778 CV     1
  ASSI { 2114}
    (  segid "    " and resid 62   and name HD2%)
    (( segid "    " and resid 66   and name HB1 ))
       4.200     2.200     1.800 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.17988E-03 ppm1      0.290 ppm2      2.388 CV     1
  ASSI { 2131}
    (( segid "    " and resid 44   and name HB2 ))
    (( segid "    " and resid 85   and name HZ  ))
       4.600     2.700     1.400 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.17655E-03 ppm1      1.639 ppm2      7.295 CV     1
  ASSI { 2133}
    (( segid "    " and resid 29   and name HB1 ))
    (( segid "    " and resid 21   and name HA  ))
       4.000     2.000     2.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.17572E-03 ppm1      3.037 ppm2      4.332 CV     1
  ASSI { 2138}
    (  segid "    " and resid 68   and name HD1%)
    (( segid "    " and resid 69   and name HN  ))
       4.900     3.000     1.100 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.17405E-03 ppm1      0.901 ppm2      8.982 CV     1
  ASSI { 2150}
    (( segid "    " and resid 75   and name HG2 ))
    (( segid "    " and resid 85   and name HN  ))
       5.100     3.200     0.900 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.17072E-03 ppm1      1.874 ppm2      9.232 CV     1
  ASSI { 2154}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 34   and name HA  ))
       4.500     2.500     1.500 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.16905E-03 ppm1      4.372 ppm2      4.552 CV     1
  ASSI { 2172}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 23   and name HA  ))
       4.600     2.600     1.400 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.16239E-03 ppm1      4.069 ppm2      4.255 CV     1
  ASSI { 2179}
    (( segid "    " and resid 56   and name HB1 ))
    (( segid "    " and resid 53   and name HB1 ))
       3.700     3.700     2.300 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.16073E-03 ppm1      2.016 ppm2      3.721 CV     1
  ASSI { 2193}
    (( segid "    " and resid 74   and name HE1 ))
    (( segid "    " and resid 78   and name HA  ))
       4.500     2.600     1.500 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.15739E-03 ppm1      2.985 ppm2      4.023 CV     1
  ASSI { 2206}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 40   and name HA  ))
       4.500     2.500     1.500 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.15406E-03 ppm1      1.034 ppm2      4.809 CV     1
  ASSI { 2229}
    (( segid "    " and resid 26   and name HB2 ))
    (  segid "    " and resid 21   and name HD1%)
       4.400     2.400     1.600 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.14907E-03 ppm1      2.551 ppm2      0.672 CV     1
  ASSI { 2243}
    (( segid "    " and resid 30   and name HG1 ))
    (( segid "    " and resid 33   and name HB2 ))
       5.000     3.100     1.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.14574E-03 ppm1      2.386 ppm2      1.582 CV     1
  ASSI { 2258}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 19   and name HN  ))
       4.500     2.500     1.500 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.14074E-03 ppm1      3.729 ppm2      8.954 CV     1
  ASSI { 2266}
    (( segid "    " and resid 90   and name HB2 ))
    (( segid "    " and resid 89   and name HA  ))
       5.800     4.100     0.200 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.13907E-03 ppm1      2.491 ppm2      5.672 CV     1
  ASSI { 2285}
    (( segid "    " and resid 66   and name HB2 ))
    (( segid "    " and resid 66   and name HD2 ))
       5.400     3.700     0.600 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.13491E-03 ppm1      1.906 ppm2      3.444 CV     1
  ASSI { 2287}
    (( segid "    " and resid 66   and name HD2 ))
    (( segid "    " and resid 66   and name HA  ))
       4.800     2.900     1.200 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.13408E-03 ppm1      3.447 ppm2      4.603 CV     1
  ASSI { 2288}
    (( segid "    " and resid 74   and name HG1 ))
    (( segid "    " and resid 74   and name HN  ))
       5.300     3.500     0.700 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.13324E-03 ppm1      1.471 ppm2      9.235 CV     1
  OR { 2288}
    (( segid "    " and resid 74   and name HG2 ))
    (( segid "    " and resid 74   and name HN  ))
  ASSI { 2307}
    (  segid "    " and resid 55   and name HG2%)
    (( segid "    " and resid 59   and name HD2 ))
       4.600     2.600     1.400 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.12991E-03 ppm1      0.822 ppm2      6.845 CV     1
  ASSI { 2320}
    (( segid "    " and resid 74   and name HE1 ))
    (( segid "    " and resid 81   and name HA  ))
       4.500     2.600     1.500 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.12658E-03 ppm1      3.016 ppm2      4.408 CV     1
  ASSI { 2326}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 41   and name HB2 ))
       4.500     2.600     1.500 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.12492E-03 ppm1      4.398 ppm2      2.628 CV     1
  ASSI { 2331}
    (( segid "    " and resid 31   and name HB2 ))
    (  segid "    " and resid 32   and name HD1%)
       5.100     3.200     0.900 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.12492E-03 ppm1      1.664 ppm2      0.511 CV     1
  ASSI { 2357}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
       4.600     2.600     1.400 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.11992E-03 ppm1      4.308 ppm2      6.721 CV     1
  ASSI { 2368}
    (  segid "    " and resid 52   and name HB% )
    (( segid "    " and resid 54   and name HN  ))
       5.300     3.500     0.700 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.11742E-03 ppm1      1.552 ppm2      8.339 CV     1
  ASSI { 2373}
    (  segid "    " and resid 27   and name HB% )
    (( segid "    " and resid 28   and name HB2 ))
       4.900     3.000     1.100 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.11659E-03 ppm1      0.748 ppm2      1.704 CV     1
  ASSI { 2382}
    (( segid "    " and resid 76   and name HB1 ))
    (( segid "    " and resid 77   and name HN  ))
       5.400     3.700     0.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.11409E-03 ppm1      1.907 ppm2      9.735 CV     1
  ASSI { 2383}
    (  segid "    " and resid 73   and name HD1%)
    (( segid "    " and resid 58   and name HA  ))
       4.700     2.700     1.300 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.11409E-03 ppm1      0.698 ppm2      4.018 CV     1
  ASSI { 2387}
    (  segid "    " and resid 12   and name HG1%)
    (( segid "    " and resid 43   and name HA  ))
       4.800     2.900     1.200 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.11326E-03 ppm1      0.966 ppm2      4.528 CV     1
  ASSI { 2390}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 32   and name HD1%)
       5.100     3.200     0.900 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.11326E-03 ppm1      2.659 ppm2      0.501 CV     1
  ASSI { 2404}
    (( segid "    " and resid 45   and name HG2 ))
    (( segid "    " and resid 46   and name HG1 ))
       4.900     3.100     1.100 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.11159E-03 ppm1      0.231 ppm2      2.325 CV     1
  ASSI { 2415}
    (( segid "    " and resid 74   and name HD1 ))
    (( segid "    " and resid 74   and name HA  ))
       4.800     2.900     1.200 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.10909E-03 ppm1      1.698 ppm2      5.324 CV     1
  ASSI { 2428}
    (( segid "    " and resid 56   and name HB1 ))
    (( segid "    " and resid 55   and name HN  ))
       5.400     3.700     0.600 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.10743E-03 ppm1      2.041 ppm2      7.573 CV     1
  ASSI { 2455}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 82   and name HB1 ))
       4.700     2.800     1.300 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.10243E-03 ppm1      4.407 ppm2      3.874 CV     1
  ASSI { 2473}
    (( segid "    " and resid 75   and name HG2 ))
    (( segid "    " and resid 74   and name HE1 ))
       5.100     3.200     0.900 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.98267E-04 ppm1      1.876 ppm2      3.001 CV     1
  ASSI { 2482}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 73   and name HG  ))
       5.500     3.800     0.500 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.95768E-04 ppm1      5.421 ppm2      1.469 CV     1
  ASSI { 2495}
    (  segid "    " and resid 73   and name HD2%)
    (  segid "    " and resid 87   and name HG2%)
       4.800     2.900     1.200 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.93269E-04 ppm1      0.614 ppm2      0.228 CV     1
  ASSI { 2498}
    (( segid "    " and resid 74   and name HE1 ))
    (( segid "    " and resid 75   and name HA  ))
       4.500     2.500     1.500 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.92438E-04 ppm1      3.003 ppm2      3.946 CV     1
  ASSI { 2508}
    (  segid "    " and resid 12   and name HG1%)
    (  segid "    " and resid 14   and name HG2%)
       5.800     4.100     0.200 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.90770E-04 ppm1      0.947 ppm2      0.111 CV     1
  ASSI { 2514}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HD2 ))
       4.800     2.800     1.200 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.89107E-04 ppm1      1.890 ppm2      3.416 CV     1
  ASSI { 2518}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 43   and name HA  ))
       4.100     2.100     1.900 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.88270E-04 ppm1      1.029 ppm2      4.536 CV     1
  ASSI { 2531}
    (( segid "    " and resid 70   and name HA  ))
    (  segid "    " and resid 89   and name HE% )
       4.800     2.900     1.200 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.85777E-04 ppm1      4.965 ppm2      6.947 CV     1
  ASSI { 2534}
    (( segid "    " and resid 70   and name HA  ))
    (  segid "    " and resid 88   and name HG2%)
       5.400     3.700     0.600 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.84940E-04 ppm1      4.945 ppm2      0.700 CV     1
  ASSI { 2564}
    (( segid "    " and resid 20   and name HD1 ))
    (  segid "    " and resid 32   and name HD1%)
       5.100     3.300     0.900 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.78115E-04 ppm1      3.125 ppm2      0.484 CV     1
  ASSI { 2569}
    (( segid "    " and resid 87   and name HA  ))
    (( segid "    " and resid 14   and name HA  ))
       4.200     2.200     1.800 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.76529E-04 ppm1      4.221 ppm2      4.402 CV     1
  ASSI { 2570}
    (( segid "    " and resid 21   and name HA  ))
    (  segid "    " and resid 32   and name HD1%)
       5.100     3.300     0.900 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.76447E-04 ppm1      4.307 ppm2      0.485 CV     1
  ASSI { 2594}
    (( segid "    " and resid 74   and name HG1 ))
    (( segid "    " and resid 81   and name HA  ))
       5.400     3.700     0.600 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.69950E-04 ppm1      1.485 ppm2      4.396 CV     1
  OR { 2594}
    (( segid "    " and resid 74   and name HG2 ))
    (( segid "    " and resid 81   and name HA  ))
  ASSI { 2597}
    (( segid "    " and resid 21   and name HG11))
    (( segid "    " and resid 59   and name HB1 ))
       6.000     5.200     0.000 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.69453E-04 ppm1      0.991 ppm2      2.753 CV     1
  ASSI { 2603}
    (  segid "    " and resid 18   and name HD1%)
    (( segid "    " and resid 91   and name HG1 ))
       5.200     3.400     0.800 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.67872E-04 ppm1      0.718 ppm2      2.391 CV     1
  ASSI { 2610}
    (( segid "    " and resid 21   and name HG12))
    (( segid "    " and resid 16   and name HZ  ))
       5.500     3.800     0.500 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.66620E-04 ppm1      0.954 ppm2      7.211 CV     1
  ASSI { 2642}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 63   and name HN  ))
       5.400     3.600     0.600 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.60626E-04 ppm1      3.955 ppm2      7.595 CV     1
  ASSI { 2652}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 59   and name HA  ))
       6.000     4.900     0.000 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.58958E-04 ppm1      4.081 ppm2      3.486 CV     1
  ASSI { 2696}
    (( segid "    " and resid 26   and name HB1 ))
    (( segid "    " and resid 27   and name HN  ))
       5.800     4.200     0.200 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.49799E-04 ppm1      3.490 ppm2      6.847 CV     1
  ASSI { 2707}
    (( segid "    " and resid 43   and name HD1 ))
    (( segid "    " and resid 43   and name HA  ))
       5.700     4.000     0.300 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.48050E-04 ppm1      3.583 ppm2      4.513 CV     1
  ASSI { 2719}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 22   and name HA  ))
       6.000     5.200     0.000 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.46551E-04 ppm1      3.912 ppm2      4.090 CV     1
  ASSI { 2724}
    (  segid "    " and resid 73   and name HD2%)
    (( segid "    " and resid 53   and name HZ3 ))
       5.300     3.600     0.700 peak  2724 spectrum    1 weight  0.11000E+01 volume  0.45635E-04 ppm1      0.627 ppm2      6.964 CV     1
  ASSI { 2797}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 43   and name HB2 ))
       6.000     5.500     0.000 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.31811E-04 ppm1      4.781 ppm2      2.071 CV     1
  ASSI { 2826}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 74   and name HE1 ))
       5.000     3.200     1.000 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.26315E-04 ppm1      0.521 ppm2      3.004 CV     1
  ASSI { 2836}
    (( segid "    " and resid 66   and name HG2 ))
    (( segid "    " and resid 64   and name HA  ))
       6.000     5.100     0.000 peak  2836 spectrum    1 weight  0.10000E+01 volume  0.23068E-04 ppm1      1.908 ppm2      4.048 CV     1
  ASSI { 2845}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 16   and name HZ  ))
       6.000     4.700     0.000 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.21652E-04 ppm1      2.631 ppm2      7.167 CV     1
  ASSI { 2856}
    (  segid "    " and resid 14   and name HG2%)
    (( segid "    " and resid 87   and name HA  ))
       6.000     5.800     0.000 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.19570E-04 ppm1      0.125 ppm2      4.212 CV     1
  ASSI { 2861}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 62   and name HN  ))
       6.000     5.200     0.000 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.18737E-04 ppm1      3.750 ppm2      7.068 CV     1
  ASSI { 2862}
    (( segid "    " and resid 65   and name HB1 ))
    (( segid "    " and resid 67   and name HB2 ))
       6.000     6.000     0.000 peak  2862 spectrum    1 weight  0.10000E+01 volume  0.18571E-04 ppm1      3.026 ppm2      1.807 CV     1
  ASSI { 2887}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 36   and name HG2 ))
       6.000     6.000     0.000 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.11992E-04 ppm1      3.894 ppm2      2.603 CV     1
  ASSI {   27}
    (  segid "    " and resid 85   and name HD% )
    (  segid "    " and resid 14   and name HD1%)
       2.900     1.000     1.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.80942E-03 ppm1      7.201 ppm2      0.850 CV     1
  ASSI {   30}
    (( segid "    " and resid 16   and name HZ  ))
    (  segid "    " and resid 36   and name HE% )
       3.100     1.200     1.200 peak    30 spectrum    1 weight  0.10000E+01 volume  0.68397E-03 ppm1      7.203 ppm2      1.920 CV     1
  ASSI {   32}
    (( segid "    " and resid 15   and name HE1 ))
    (  segid "    " and resid 88   and name HG2%)
       3.800     1.800     1.800 peak    32 spectrum    1 weight  0.11000E+01 volume  0.61517E-03 ppm1      8.521 ppm2      0.673 CV     1
  ASSI {   41}
    (  segid "    " and resid 89   and name HE% )
    (  segid "    " and resid 62   and name HD2%)
       2.800     1.000     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.44924E-03 ppm1      6.936 ppm2      0.326 CV     1
  ASSI {   51}
    (  segid "    " and resid 89   and name HD% )
    (( segid "    " and resid 89   and name HB1 ))
       3.400     1.500     1.500 peak    51 spectrum    1 weight  0.10000E+01 volume  0.35656E-03 ppm1      7.047 ppm2      2.965 CV     1
  ASSI {   66}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 20   and name HB1 ))
       3.800     1.800     1.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.28493E-03 ppm1      7.111 ppm2      1.934 CV     1
  ASSI {   70}
    (( segid "    " and resid 15   and name HD2 ))
    (( segid "    " and resid 90   and name HA  ))
       3.700     1.700     1.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.23879E-03 ppm1      7.087 ppm2      4.811 CV     1
  ASSI {   75}
    (  segid "    " and resid 16   and name HD% )
    (  segid "    " and resid 21   and name HD1%)
       3.700     1.700     1.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.23393E-03 ppm1      7.035 ppm2      0.660 CV     1
  ASSI {   78}
    (( segid "    " and resid 59   and name HD2 ))
    (( segid "    " and resid 60   and name HG1 ))
       4.200     2.200     1.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.21491E-03 ppm1      6.831 ppm2      2.619 CV     1
  ASSI {  117}
    (( segid "    " and resid 85   and name HZ  ))
    (( segid "    " and resid 75   and name HG1 ))
       6.000     4.800     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.12061E-04 ppm1      7.278 ppm2      2.127 CV     1
 ASSI {   21}
    (( segid "    " and resid 85   and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
       2.700     0.900     0.900 peak    21 spectrum    1 weight  0.10000E+01 volume  0.26049E-02 ppm1      5.257 ppm2      8.584 CV     1
  OR {   21}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 88   and name HN  ))
  ASSI {   74}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 13   and name HN  ))
       3.500     1.500     1.500 peak    74 spectrum    1 weight  0.10000E+01 volume  0.89988E-03 ppm1      4.399 ppm2      8.765 CV     1
  OR {   74}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
  ASSI {  133}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       2.800     1.000     1.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.24921E-02 ppm1      4.068 ppm2      7.732 CV     1
  OR {  133}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  134}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 59   and name HE1 ))
       3.900     1.900     1.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.90551E-03 ppm1      4.065 ppm2      7.995 CV     1
  OR {  134}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 59   and name HE1 ))
  ASSI {  139}
    (( segid "    " and resid 52   and name HA  ))
    (( segid "    " and resid 52   and name HN  ))
       2.900     1.100     1.100 peak   139 spectrum    1 weight  0.10000E+01 volume  0.17253E-02 ppm1      4.059 ppm2      7.066 CV     1
  OR {  139}
    (( segid "    " and resid 17   and name HD1 ))
    (( segid "    " and resid 35   and name HE22))
  ASSI {  154}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 63   and name HN  ))
       4.100     2.100     1.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.36761E-03 ppm1      3.955 ppm2      7.580 CV     1
  OR {  154}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 36   and name HN  ))
  ASSI {  156}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 35   and name HE22))
       3.000     1.100     1.100 peak   156 spectrum    1 weight  0.10000E+01 volume  0.20298E-02 ppm1      3.955 ppm2      7.057 CV     1
  OR {  156}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 62   and name HN  ))
  ASSI {  158}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       3.400     1.400     1.400 peak   158 spectrum    1 weight  0.10000E+01 volume  0.10137E-02 ppm1      3.941 ppm2      8.298 CV     1
  OR {  158}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  160}
    (( segid "    " and resid 32   and name HA  ))
    (  segid "    " and resid 16   and name HD% )
       2.900     1.000     1.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.27514E-02 ppm1      3.938 ppm2      6.998 CV     1
  OR {  160}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 34   and name HD22))
  ASSI {  184}
    (( segid "    " and resid 53   and name HB1 ))
    (( segid "    " and resid 53   and name HN  ))
       2.400     0.700     0.700 peak   184 spectrum    1 weight  0.10000E+01 volume  0.46346E-02 ppm1      3.750 ppm2      8.591 CV     1
  OR {  184}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 60   and name HN  ))
  ASSI {  257}
    (( segid "    " and resid 80   and name HB1 ))
    (( segid "    " and resid 81   and name HN  ))
       3.300     1.300     1.300 peak   257 spectrum    1 weight  0.10000E+01 volume  0.87390E-03 ppm1      2.913 ppm2      7.721 CV     1
  OR {  257}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 40   and name HD21))
  ASSI {  261}
    (( segid "    " and resid 35   and name HG1 ))
    (( segid "    " and resid 35   and name HE22))
       4.700     2.800     1.300 peak   261 spectrum    1 weight  0.10000E+01 volume  0.25259E-03 ppm1      2.863 ppm2      7.090 CV     1
  OR {  261}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 15   and name HD2 ))
  ASSI {  329}
    (( segid "    " and resid 57   and name HB1 ))
    (( segid "    " and resid 56   and name HN  ))
       3.900     1.900     1.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.63825E-03 ppm1      2.241 ppm2      8.380 CV     1
  OR {  329}
    (( segid "    " and resid 51   and name HB1 ))
    (( segid "    " and resid 54   and name HN  ))
  ASSI {  330}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 48   and name HN  ))
       2.600     0.900     0.900 peak   330 spectrum    1 weight  0.10000E+01 volume  0.26500E-02 ppm1      2.240 ppm2      8.055 CV     1
  OR {  330}
    (( segid "    " and resid 51   and name HB1 ))
    (( segid "    " and resid 51   and name HN  ))
  ASSI {  335}
    (( segid "    " and resid 70   and name HG1 ))
    (  segid "    " and resid 72   and name HD% )
       3.800     1.800     1.800 peak   335 spectrum    1 weight  0.10000E+01 volume  0.55595E-03 ppm1      2.194 ppm2      6.872 CV     1
  OR {  335}
    (( segid "    " and resid 28   and name HB1 ))
    (( segid "    " and resid 27   and name HN  ))
  ASSI {  355}
    (( segid "    " and resid 13   and name HG1 ))
    (( segid "    " and resid 13   and name HN  ))
       2.600     0.900     0.900 peak   355 spectrum    1 weight  0.10000E+01 volume  0.48827E-02 ppm1      2.058 ppm2      8.804 CV     1
  OR {  355}
    (( segid "    " and resid 24   and name HB1 ))
    (( segid "    " and resid 24   and name HN  ))
  ASSI {  356}
    (( segid "    " and resid 43   and name HB2 ))
    (( segid "    " and resid 45   and name HN  ))
       3.500     1.500     1.500 peak   356 spectrum    1 weight  0.10000E+01 volume  0.67883E-03 ppm1      2.057 ppm2      8.403 CV     1
  OR {  356}
    (( segid "    " and resid 24   and name HB1 ))
    (( segid "    " and resid 25   and name HN  ))
  ASSI {  357}
    (( segid "    " and resid 30   and name HB1 ))
    (( segid "    " and resid 31   and name HN  ))
       2.900     1.100     1.100 peak   357 spectrum    1 weight  0.10000E+01 volume  0.24244E-02 ppm1      2.056 ppm2      8.304 CV     1
  OR {  357}
    (( segid "    " and resid 10   and name HB  ))
    (( segid "    " and resid 11   and name HN  ))
  ASSI {  362}
    (( segid "    " and resid 30   and name HB1 ))
    (( segid "    " and resid 34   and name HD22))
       4.900     3.000     1.100 peak   362 spectrum    1 weight  0.10000E+01 volume  0.15223E-03 ppm1      2.049 ppm2      7.026 CV     1
  OR {  362}
    (( segid "    " and resid 68   and name HB  ))
    (( segid "    " and resid 65   and name HD22))
  OR {  362}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 35   and name HE22))
  ASSI {  363}
    (( segid "    " and resid 30   and name HB1 ))
    (( segid "    " and resid 32   and name HN  ))
       3.300     1.400     1.400 peak   363 spectrum    1 weight  0.10000E+01 volume  0.18606E-02 ppm1      2.043 ppm2      7.199 CV     1
  OR {  363}
    (( segid "    " and resid 43   and name HB2 ))
    (  segid "    " and resid 85   and name HD% )
  ASSI {  365}
    (( segid "    " and resid 56   and name HB1 ))
    (( segid "    " and resid 57   and name HN  ))
       2.700     0.900     0.900 peak   365 spectrum    1 weight  0.10000E+01 volume  0.31010E-02 ppm1      2.032 ppm2      8.486 CV     1
  OR {  365}
    (( segid "    " and resid 49   and name HG2 ))
    (( segid "    " and resid 47   and name HN  ))
  ASSI {  389}
    (( segid "    " and resid 92   and name HB1 ))
    (( segid "    " and resid 92   and name HN  ))
       3.300     1.400     1.400 peak   389 spectrum    1 weight  0.10000E+01 volume  0.18380E-02 ppm1      1.933 ppm2      8.082 CV     1
  OR {  389}
    (( segid "    " and resid 91   and name HB2 ))
    (( segid "    " and resid 92   and name HN  ))
  ASSI {  390}
    (( segid "    " and resid 73   and name HB1 ))
    (( segid "    " and resid 53   and name HZ2 ))
       4.500     2.500     1.500 peak   390 spectrum    1 weight  0.10000E+01 volume  0.38453E-03 ppm1      1.935 ppm2      7.492 CV     1
  OR {  390}
    (( segid "    " and resid 66   and name HG2 ))
    (( segid "    " and resid 65   and name HN  ))
  ASSI {  391}
    (( segid "    " and resid 84   and name HB2 ))
    (  segid "    " and resid 72   and name HD% )
       6.000     6.000     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.11107E-04 ppm1      1.934 ppm2      6.857 CV     1
  OR {  391}
    (( segid "    " and resid 73   and name HB1 ))
    (  segid "    " and resid 72   and name HD% )
  ASSI {  400}
    (( segid "    " and resid 55   and name HG11))
    (( segid "    " and resid 16   and name HZ  ))
       2.700     0.900     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.34731E-02 ppm1      1.904 ppm2      7.179 CV     1
  OR {  400}
    (( segid "    " and resid 12   and name HB  ))
    (  segid "    " and resid 85   and name HD% )
  ASSI {  413}
    (( segid "    " and resid 31   and name HB1 ))
    (( segid "    " and resid 35   and name HN  ))
       3.700     1.700     1.700 peak   413 spectrum    1 weight  0.10000E+01 volume  0.10363E-02 ppm1      1.821 ppm2      8.056 CV     1
  OR {  413}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 48   and name HN  ))
  ASSI {  414}
    (( segid "    " and resid 31   and name HB1 ))
    (( segid "    " and resid 35   and name HE21))
       6.000     4.500     0.000 peak   414 spectrum    1 weight  0.10000E+01 volume  0.32814E-04 ppm1      1.819 ppm2      7.875 CV     1
  OR {  414}
    (( segid "    " and resid 75   and name HB1 ))
    (( segid "    " and resid 80   and name HD21))
  ASSI {  416}
    (( segid "    " and resid 31   and name HB1 ))
    (( segid "    " and resid 35   and name HE22))
       4.400     2.400     1.600 peak   416 spectrum    1 weight  0.10000E+01 volume  0.26500E-03 ppm1      1.805 ppm2      7.051 CV     1
  OR {  416}
    (( segid "    " and resid 18   and name HB1 ))
    (  segid "    " and resid 89   and name HD% )
  ASSI {  432}
    (( segid "    " and resid 31   and name HG  ))
    (( segid "    " and resid 32   and name HN  ))
       3.600     1.600     1.600 peak   432 spectrum    1 weight  0.10000E+01 volume  0.13419E-02 ppm1      1.718 ppm2      7.210 CV     1
  OR {  432}
    (( segid "    " and resid 55   and name HB  ))
    (( segid "    " and resid 16   and name HZ  ))
  ASSI {  435}
    (( segid "    " and resid 68   and name HG11))
    (  segid "    " and resid 89   and name HD% )
       3.800     1.800     1.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.55819E-03 ppm1      1.710 ppm2      7.030 CV     1
  OR {  435}
    (( segid "    " and resid 68   and name HG11))
    (( segid "    " and resid 65   and name HD22))
  ASSI {  439}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 21   and name HN  ))
       3.400     1.500     1.500 peak   439 spectrum    1 weight  0.10000E+01 volume  0.10374E-02 ppm1      1.705 ppm2      7.728 CV     1
  OR {  439}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  440}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 20   and name HN  ))
       3.000     1.100     1.100 peak   440 spectrum    1 weight  0.10000E+01 volume  0.15900E-02 ppm1      1.702 ppm2      7.098 CV     1
  OR {  440}
    (( segid "    " and resid 68   and name HG11))
    (( segid "    " and resid 65   and name HD22))
  ASSI {  444}
    (( segid "    " and resid 87   and name HB  ))
    (( segid "    " and resid 71   and name HN  ))
       3.600     1.600     1.600 peak   444 spectrum    1 weight  0.10000E+01 volume  0.69010E-03 ppm1      1.694 ppm2      8.931 CV     1
  OR {  444}
    (( segid "    " and resid 19   and name HD1 ))
    (( segid "    " and resid 19   and name HN  ))
  ASSI {  445}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 23   and name HN  ))
       4.400     2.400     1.600 peak   445 spectrum    1 weight  0.10000E+01 volume  0.24582E-03 ppm1      1.693 ppm2      6.697 CV     1
  OR {  445}
    (( segid "    " and resid 44   and name HB1 ))
    (( segid "    " and resid 80   and name HD22))
  ASSI {  451}
    (( segid "    " and resid 44   and name HB2 ))
    (( segid "    " and resid 45   and name HN  ))
       3.300     1.400     1.400 peak   451 spectrum    1 weight  0.10000E+01 volume  0.16689E-02 ppm1      1.600 ppm2      8.386 CV     1
  OR {  451}
    (  segid "    " and resid 23   and name HB% )
    (( segid "    " and resid 25   and name HN  ))
  ASSI {  464}
    (  segid "    " and resid 58   and name HB% )
    (  segid "    " and resid 16   and name HD% )
       2.600     2.600     3.400 peak   464 spectrum    1 weight  0.10000E+01 volume  0.55819E-02 ppm1      1.590 ppm2      7.036 CV     1
  OR {  464}
    (( segid "    " and resid 70   and name HB2 ))
    (  segid "    " and resid 89   and name HD% )
  ASSI {  468}
    (  segid "    " and resid 23   and name HB% )
    (( segid "    " and resid 26   and name HN  ))
       3.000     1.100     1.100 peak   468 spectrum    1 weight  0.10000E+01 volume  0.33265E-02 ppm1      1.552 ppm2      7.241 CV     1
  OR {  468}
    (( segid "    " and resid 32   and name HG  ))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  475}
    (( segid "    " and resid 33   and name HG  ))
    (( segid "    " and resid 33   and name HN  ))
       3.700     1.700     1.700 peak   475 spectrum    1 weight  0.10000E+01 volume  0.11953E-02 ppm1      1.520 ppm2      6.924 CV     1
  OR {  475}
    (( segid "    " and resid 68   and name HG12))
    (  segid "    " and resid 89   and name HE% )
  ASSI {  483}
    (( segid "    " and resid 68   and name HG12))
    (( segid "    " and resid 64   and name HN  ))
       3.600     3.600     2.400 peak   483 spectrum    1 weight  0.10000E+01 volume  0.64274E-03 ppm1      1.463 ppm2      7.317 CV     1
  OR {  483}
    (  segid "    " and resid 77   and name HB% )
    (( segid "    " and resid 85   and name HZ  ))
  ASSI {  486}
    (( segid "    " and resid 73   and name HG  ))
    (( segid "    " and resid 73   and name HN  ))
       3.300     1.400     1.400 peak   486 spectrum    1 weight  0.10000E+01 volume  0.18042E-02 ppm1      1.439 ppm2      9.179 CV     1
  OR {  486}
    (( segid "    " and resid 73   and name HG  ))
    (( segid "    " and resid 74   and name HN  ))
  OR {  486}
    (( segid "    " and resid 18   and name HG  ))
    (( segid "    " and resid 18   and name HN  ))
  ASSI {  494}
    (( segid "    " and resid 21   and name HB  ))
    (  segid "    " and resid 16   and name HD% )
       3.500     1.500     1.500 peak   494 spectrum    1 weight  0.10000E+01 volume  0.10329E-02 ppm1      1.278 ppm2      7.002 CV     1
  OR {  494}
    (( segid "    " and resid 21   and name HB  ))
    (  segid "    " and resid 89   and name HD% )
  ASSI {  500}
    (( segid "    " and resid 14   and name HB  ))
    (( segid "    " and resid 16   and name HZ  ))
       3.700     1.700     1.700 peak   500 spectrum    1 weight  0.10000E+01 volume  0.10070E-02 ppm1      1.264 ppm2      7.175 CV     1
  OR {  500}
    (( segid "    " and resid 14   and name HB  ))
    (  segid "    " and resid 85   and name HD% )
  ASSI {  545}
    (  segid "    " and resid 14   and name HD1%)
    (  segid "    " and resid 16   and name HE% )
       4.800     2.900     1.200 peak   545 spectrum    1 weight  0.10000E+01 volume  0.12517E-03 ppm1      0.837 ppm2      7.090 CV     1
  OR {  545}
    (  segid "    " and resid 31   and name HD1%)
    (( segid "    " and resid 35   and name HE22))
  ASSI {  547}
    (  segid "    " and resid 55   and name HG2%)
    (( segid "    " and resid 56   and name HN  ))
       3.600     1.700     1.700 peak   547 spectrum    1 weight  0.10000E+01 volume  0.86717E-03 ppm1      0.830 ppm2      8.321 CV     1
  OR {  547}
    (  segid "    " and resid 31   and name HD1%)
    (( segid "    " and resid 31   and name HN  ))
  ASSI {  554}
    (  segid "    " and resid 12   and name HG2%)
    (  segid "    " and resid 85   and name HE% )
       3.900     1.900     1.900 peak   554 spectrum    1 weight  0.10000E+01 volume  0.42061E-03 ppm1      0.811 ppm2      7.250 CV     1
  OR {  554}
    (  segid "    " and resid 14   and name HD1%)
    (  segid "    " and resid 85   and name HE% )
  ASSI {  556}
    (  segid "    " and resid 55   and name HG2%)
    (  segid "    " and resid 26   and name HD% )
       3.500     1.500     1.500 peak   556 spectrum    1 weight  0.10000E+01 volume  0.89988E-03 ppm1      0.809 ppm2      7.041 CV     1
  OR {  556}
    (  segid "    " and resid 31   and name HD1%)
    (( segid "    " and resid 35   and name HE22))
  ASSI {  560}
    (  segid "    " and resid 31   and name HD1%)
    (( segid "    " and resid 35   and name HE21))
       3.900     1.900     1.900 peak   560 spectrum    1 weight  0.10000E+01 volume  0.45331E-03 ppm1      0.794 ppm2      7.881 CV     1
  OR {  560}
    (( segid "    " and resid 45   and name HB2 ))
    (( segid "    " and resid 80   and name HD21))
  ASSI {  568}
    (  segid "    " and resid 18   and name HD1%)
    (  segid "    " and resid 89   and name HD% )
       2.700     0.900     0.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.33040E-02 ppm1      0.750 ppm2      7.039 CV     1
  OR {  568}
    (  segid "    " and resid 71   and name HG2%)
    (  segid "    " and resid 89   and name HD% )
  ASSI {  573}
    (  segid "    " and resid 88   and name HG2%)
    (( segid "    " and resid 90   and name HN  ))
       3.700     1.800     1.800 peak   573 spectrum    1 weight  0.10000E+01 volume  0.60664E-03 ppm1      0.708 ppm2      8.719 CV     1
  OR {  573}
    (  segid "    " and resid 73   and name HD1%)
    (( segid "    " and resid 87   and name HN  ))
  OR {  573}
    (  segid "    " and resid 88   and name HG2%)
    (( segid "    " and resid 16   and name HN  ))
  ASSI {  579}
    (  segid "    " and resid 83   and name HG1%)
    (  segid "    " and resid 85   and name HD% )
       3.500     1.500     1.500 peak   579 spectrum    1 weight  0.10000E+01 volume  0.13757E-02 ppm1      0.700 ppm2      7.206 CV     1
  OR {  579}
    (  segid "    " and resid 55   and name HD1%)
    (( segid "    " and resid 16   and name HZ  ))
  ASSI {  580}
    (  segid "    " and resid 21   and name HG2%)
    (  segid "    " and resid 89   and name HD% )
       2.400     0.700     0.700 peak   580 spectrum    1 weight  0.10000E+01 volume  0.64164E-02 ppm1      0.703 ppm2      7.023 CV     1
  OR {  580}
    (  segid "    " and resid 21   and name HD1%)
    (  segid "    " and resid 16   and name HD% )
  ASSI {  582}
    (  segid "    " and resid 73   and name HD1%)
    (( segid "    " and resid 73   and name HN  ))
       3.100     1.200     1.200 peak   582 spectrum    1 weight  0.10000E+01 volume  0.23004E-02 ppm1      0.694 ppm2      9.177 CV     1
  OR {  582}
    (  segid "    " and resid 18   and name HD1%)
    (( segid "    " and resid 18   and name HN  ))
  ASSI {  583}
    (  segid "    " and resid 55   and name HD1%)
    (( segid "    " and resid 56   and name HN  ))
       3.400     1.500     1.500 peak   583 spectrum    1 weight  0.10000E+01 volume  0.51646E-03 ppm1      0.695 ppm2      8.340 CV     1
  OR {  583}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 56   and name HN  ))
  ASSI {  589}
    (  segid "    " and resid 73   and name HD1%)
    (( segid "    " and resid 53   and name HH2 ))
       3.900     1.900     1.900 peak   589 spectrum    1 weight  0.10000E+01 volume  0.65854E-03 ppm1      0.686 ppm2      6.799 CV     1
  OR {  589}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 59   and name HD2 ))
  ASSI {  594}
    (  segid "    " and resid 73   and name HD2%)
    (( segid "    " and resid 58   and name HN  ))
       4.200     2.200     1.800 peak   594 spectrum    1 weight  0.10000E+01 volume  0.31123E-03 ppm1      0.614 ppm2      8.582 CV     1
  OR {  594}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 58   and name HN  ))
  ASSI {  596}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 57   and name HN  ))
       3.700     1.700     1.700 peak   596 spectrum    1 weight  0.10000E+01 volume  0.57060E-03 ppm1      0.608 ppm2      8.483 CV     1
  OR {  596}
    (( segid "    " and resid 45   and name HG1 ))
    (( segid "    " and resid 47   and name HN  ))
  ASSI {  603}
    (  segid "    " and resid 87   and name HG1%)
    (( segid "    " and resid 89   and name HZ  ))
       3.200     1.300     1.300 peak   603 spectrum    1 weight  0.10000E+01 volume  0.12517E-02 ppm1      0.522 ppm2      7.090 CV     1
  OR {  603}
    (  segid "    " and resid 32   and name HD1%)
    (  segid "    " and resid 16   and name HE% )
  ASSI {  608}
    (  segid "    " and resid 83   and name HG2%)
    (  segid "    " and resid 85   and name HD% )
       3.400     1.500     1.500 peak   608 spectrum    1 weight  0.10000E+01 volume  0.10735E-02 ppm1      0.521 ppm2      7.180 CV     1
  OR {  608}
    (  segid "    " and resid 54   and name HG2%)
    (  segid "    " and resid 85   and name HD% )
  ASSI {  609}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 86   and name HN  ))
       5.300     3.500     0.700 peak   609 spectrum    1 weight  0.10000E+01 volume  0.71153E-04 ppm1      0.514 ppm2      9.323 CV     1
  OR {  609}
    (  segid "    " and resid 83   and name HG2%)
    (( segid "    " and resid 86   and name HN  ))
  ASSI {  624}
    (( segid "    " and resid 26   and name HB2 ))
    (  segid "    " and resid 55   and name HG2%)
       3.300     1.400     1.400 peak   624 spectrum    1 weight  0.10000E+01 volume  0.13532E-02 ppm1      2.551 ppm2      0.843 CV     1
  OR {  624}
    (( segid "    " and resid 17   and name HB1 ))
    (  segid "    " and resid 31   and name HD1%)
  ASSI {  631}
    (  segid "    " and resid 14   and name HG2%)
    (( segid "    " and resid 16   and name HN  ))
       3.700     1.700     1.700 peak   631 spectrum    1 weight  0.10000E+01 volume  0.74878E-03 ppm1      0.143 ppm2      8.736 CV     1
  OR {  631}
    (( segid "    " and resid 88   and name HB  ))
    (( segid "    " and resid 16   and name HN  ))
  ASSI {  650}
    (  segid "    " and resid 16   and name HD% )
    (( segid "    " and resid 16   and name HN  ))
       3.500     1.500     1.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.11840E-02 ppm1      7.022 ppm2      8.729 CV     1
  OR {  650}
    (  segid "    " and resid 89   and name HD% )
    (( segid "    " and resid 90   and name HN  ))
  ASSI {  654}
    (  segid "    " and resid 89   and name HE% )
    (( segid "    " and resid 70   and name HN  ))
       3.400     1.500     1.500 peak   654 spectrum    1 weight  0.10000E+01 volume  0.69803E-03 ppm1      6.937 ppm2      7.582 CV     1
  OR {  654}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 36   and name HN  ))
  ASSI {  672}
    (( segid "    " and resid 80   and name HD22))
    (  segid "    " and resid 85   and name HE% )
       3.600     3.600     2.400 peak   672 spectrum    1 weight  0.10000E+01 volume  0.97091E-03 ppm1      6.694 ppm2      7.248 CV     1
  OR {  672}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 26   and name HN  ))
  ASSI {  683}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 56   and name HN  ))
       3.000     1.100     1.100 peak   683 spectrum    1 weight  0.10000E+01 volume  0.14321E-02 ppm1      7.550 ppm2      8.329 CV     1
  OR {  683}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 54   and name HN  ))
  ASSI {  696}
    (( segid "    " and resid 53   and name HE3 ))
    (( segid "    " and resid 58   and name HN  ))
       4.000     2.000     2.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.65515E-03 ppm1      7.166 ppm2      8.567 CV     1
  OR {  696}
    (  segid "    " and resid 85   and name HD% )
    (( segid "    " and resid 14   and name HN  ))
  ASSI {  699}
    (( segid "    " and resid 90   and name HN  ))
    (( segid "    " and resid 18   and name HN  ))
       3.600     1.600     1.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.66417E-03 ppm1      8.714 ppm2      9.170 CV     1
  OR {  699}
    (( segid "    " and resid 87   and name HN  ))
    (( segid "    " and resid 73   and name HN  ))
  ASSI {  709}
    (( segid "    " and resid 59   and name HE1 ))
    (( segid "    " and resid 25   and name HN  ))
       3.000     3.000     3.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.96298E-03 ppm1      8.028 ppm2      8.388 CV     1
  OR {  709}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
  ASSI {  719}
    (  segid "    " and resid 87   and name HG1%)
    (( segid "    " and resid 89   and name HZ  ))
       3.400     1.400     1.400 peak   719 spectrum    1 weight  0.10000E+01 volume  0.87620E-03 ppm1      0.554 ppm2      7.045 CV     1
  OR {  719}
    (  segid "    " and resid 87   and name HG1%)
    (  segid "    " and resid 16   and name HD% )
  ASSI {  727}
    (( segid "    " and resid 89   and name HA  ))
    (  segid "    " and resid 88   and name HG2%)
       3.400     1.400     1.400 peak   727 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      5.672 ppm2      0.710 CV     1
  OR {  727}
    (( segid "    " and resid 89   and name HA  ))
    (  segid "    " and resid 21   and name HG2%)
  ASSI {  746}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 48   and name HB2 ))
       3.300     3.300     2.700 peak   746 spectrum    1 weight  0.10000E+01 volume  0.14321E-02 ppm1      5.114 ppm2      2.233 CV     1
  OR {  746}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 50   and name HB1 ))
  ASSI {  786}
    (( segid "    " and resid 83   and name HA  ))
    (( segid "    " and resid 83   and name HB  ))
       2.800     0.900     0.900 peak   786 spectrum    1 weight  0.10000E+01 volume  0.26950E-02 ppm1      4.384 ppm2      1.768 CV     1
  OR {  786}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 38   and name HB2 ))
  ASSI {  814}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 50   and name HB2 ))
       2.300     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.57060E-02 ppm1      4.147 ppm2      1.661 CV     1
  OR {  814}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 31   and name HB2 ))
  ASSI {  821}
    (( segid "    " and resid 52   and name HA  ))
    (( segid "    " and resid 55   and name HB  ))
       3.100     1.200     1.200 peak   821 spectrum    1 weight  0.10000E+01 volume  0.16464E-02 ppm1      4.062 ppm2      1.719 CV     1
  OR {  821}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 55   and name HB  ))
  ASSI {  825}
    (( segid "    " and resid 22   and name HA  ))
    (  segid "    " and resid 21   and name HG2%)
       3.400     1.500     1.500 peak   825 spectrum    1 weight  0.10000E+01 volume  0.97316E-03 ppm1      4.065 ppm2      0.705 CV     1
  OR {  825}
    (( segid "    " and resid 52   and name HA  ))
    (  segid "    " and resid 55   and name HD1%)
  ASSI {  841}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 33   and name HB1 ))
       3.100     1.200     1.200 peak   841 spectrum    1 weight  0.10000E+01 volume  0.16351E-02 ppm1      3.939 ppm2      1.672 CV     1
  OR {  841}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 33   and name HB1 ))
  ASSI {  843}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 32   and name HG  ))
       2.900     1.000     1.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.27402E-02 ppm1      3.929 ppm2      1.545 CV     1
  OR {  843}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 33   and name HG  ))
  ASSI {  858}
    (( segid "    " and resid 18   and name HA  ))
    (  segid "    " and resid 21   and name HG2%)
       1.200     0.200     1.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.36310E+00 ppm1      3.773 ppm2      0.706 CV     1
  OR {  858}
    (( segid "    " and resid 88   and name HA  ))
    (  segid "    " and resid 88   and name HG2%)
  ASSI {  860}
    (( segid "    " and resid 88   and name HA  ))
    (( segid "    " and resid 87   and name HB  ))
       4.000     2.000     2.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.51871E-03 ppm1      3.753 ppm2      1.659 CV     1
  OR {  860}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 50   and name HB2 ))
  ASSI {  890}
    (( segid "    " and resid 29   and name HB1 ))
    (  segid "    " and resid 32   and name HD1%)
       3.700     1.700     1.700 peak   890 spectrum    1 weight  0.10000E+01 volume  0.64728E-03 ppm1      3.024 ppm2      0.512 CV     1
  OR {  890}
    (( segid "    " and resid 85   and name HB1 ))
    (  segid "    " and resid 54   and name HG2%)
  ASSI {  898}
    (( segid "    " and resid 80   and name HB1 ))
    (  segid "    " and resid 83   and name HG1%)
       4.000     2.000     2.000 peak   898 spectrum    1 weight  0.10000E+01 volume  0.29544E-03 ppm1      2.915 ppm2      0.716 CV     1
  OR {  898}
    (( segid "    " and resid 89   and name HB1 ))
    (  segid "    " and resid 18   and name HD1%)
  ASSI {  905}
    (( segid "    " and resid 36   and name HG1 ))
    (  segid "    " and resid 55   and name HD1%)
       3.300     1.300     1.300 peak   905 spectrum    1 weight  0.10000E+01 volume  0.14096E-02 ppm1      2.805 ppm2      0.714 CV     1
  OR {  905}
    (( segid "    " and resid 89   and name HB2 ))
    (  segid "    " and resid 18   and name HD1%)
  ASSI {  921}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 20   and name HB1 ))
       2.600     0.800     0.800 peak   921 spectrum    1 weight  0.10000E+01 volume  0.43978E-02 ppm1      4.340 ppm2      1.949 CV     1
  OR {  921}
    (( segid "    " and resid 91   and name HA  ))
    (( segid "    " and resid 91   and name HB2 ))
  ASSI {  926}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 38   and name HB1 ))
       6.000     6.000     0.000 peak   926 spectrum    1 weight  0.10000E+01 volume  0.16238E-04 ppm1      4.322 ppm2      2.094 CV     1
  OR {  926}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 24   and name HB1 ))
  ASSI {  935}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 68   and name HB  ))
       2.200     0.600     0.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.11840E-01 ppm1      4.155 ppm2      2.056 CV     1
  OR {  935}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 24   and name HB1 ))
  ASSI {  937}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 46   and name HB1 ))
       3.000     1.100     1.100 peak   937 spectrum    1 weight  0.10000E+01 volume  0.34844E-02 ppm1      4.148 ppm2      2.379 CV     1
  OR {  937}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 69   and name HB1 ))
  OR {  937}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 43   and name HB1 ))
  ASSI {  955}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 57   and name HB1 ))
       3.000     1.100     1.100 peak   955 spectrum    1 weight  0.10000E+01 volume  0.11141E-02 ppm1      3.947 ppm2      2.289 CV     1
  OR {  955}
    (( segid "    " and resid 49   and name HD1 ))
    (( segid "    " and resid 48   and name HB1 ))
  ASSI {  961}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 60   and name HB1 ))
       2.800     1.000     1.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.40933E-02 ppm1      3.875 ppm2      1.999 CV     1
  OR {  961}
    (( segid "    " and resid 75   and name HD2 ))
    (( segid "    " and resid 74   and name HB1 ))
  ASSI {  965}
    (( segid "    " and resid 66   and name HD1 ))
    (( segid "    " and resid 66   and name HG1 ))
       2.200     0.600     0.600 peak   965 spectrum    1 weight  0.10000E+01 volume  0.81303E-02 ppm1      3.752 ppm2      2.012 CV     1
  OR {  965}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 60   and name HB1 ))
  ASSI {  973}
    (( segid "    " and resid 49   and name HD2 ))
    (( segid "    " and resid 49   and name HG1 ))
       2.800     1.000     1.000 peak   973 spectrum    1 weight  0.10000E+01 volume  0.29206E-02 ppm1      3.626 ppm2      2.198 CV     1
  OR {  973}
    (( segid "    " and resid 49   and name HD2 ))
    (( segid "    " and resid 46   and name HB2 ))
  ASSI {  995}
    (( segid "    " and resid 51   and name HB1 ))
    (  segid "    " and resid 55   and name HD1%)
       3.500     1.600     1.600 peak   995 spectrum    1 weight  0.10000E+01 volume  0.96528E-03 ppm1      2.280 ppm2      0.690 CV     1
  OR {  995}
    (( segid "    " and resid 57   and name HB1 ))
    (  segid "    " and resid 73   and name HD1%)
  ASSI { 1016}
    (( segid "    " and resid 83   and name HB  ))
    (  segid "    " and resid 83   and name HG1%)
       3.900     1.900     1.900 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.33152E-03 ppm1      1.751 ppm2      0.734 CV     1
  OR { 1016}
    (( segid "    " and resid 55   and name HB  ))
    (  segid "    " and resid 55   and name HD1%)
  ASSI { 1021}
    (( segid "    " and resid 55   and name HB  ))
    (  segid "    " and resid 55   and name HD1%)
       4.700     2.800     1.300 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.10882E-03 ppm1      1.718 ppm2      0.707 CV     1
  OR { 1021}
    (( segid "    " and resid 73   and name HB2 ))
    (  segid "    " and resid 73   and name HD1%)
  ASSI { 1023}
    (( segid "    " and resid 73   and name HB2 ))
    (  segid "    " and resid 73   and name HD2%)
       3.000     1.100     1.100 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.22778E-02 ppm1      1.693 ppm2      0.620 CV     1
  OR { 1023}
    (( segid "    " and resid 55   and name HB  ))
    (( segid "    " and resid 55   and name HG12))
  ASSI { 1028}
    (( segid "    " and resid 70   and name HB2 ))
    (  segid "    " and resid 88   and name HG2%)
       2.800     1.000     1.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.25936E-02 ppm1      1.593 ppm2      0.682 CV     1
  OR { 1028}
    (( segid "    " and resid 51   and name HB2 ))
    (  segid "    " and resid 55   and name HD1%)
  ASSI { 1050}
    (( segid "    " and resid 15   and name HB2 ))
    (  segid "    " and resid 14   and name HG2%)
       3.400     1.500     1.500 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.16125E-02 ppm1      2.825 ppm2      0.135 CV     1
  OR { 1050}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 88   and name HB  ))
  ASSI {  210}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 73   and name HB2 ))
       3.100     3.100     2.900 peak   210 spectrum    1 weight  0.10000E+01 volume  0.17815E-02 ppm1      8.690 ppm2      1.672 CV     1
  OR {  210}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 87   and name HB  ))
  ASSI {  224}
    (( segid "    " and resid 86   and name HN  ))
    (( segid "    " and resid 84   and name HB2 ))
       3.000     3.000     3.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.54366E-03 ppm1      9.346 ppm2      1.953 CV     1
  OR {  224}
    (( segid "    " and resid 86   and name HN  ))
    (( segid "    " and resid 73   and name HB1 ))
  ASSI {  291}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 73   and name HG  ))
       6.000     6.000     0.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.55748E-05 ppm1      9.210 ppm2      1.472 CV     1
  OR {  291}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 74   and name HG1 ))
  ASSI {  696}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 28   and name HG1 ))
       4.000     2.000     2.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.53444E-03 ppm1      7.075 ppm2      2.005 CV     1
  OR {  696}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 32   and name HB1 ))
  ASSI {  855}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 52   and name HA  ))
       3.500     1.600     1.600 peak   855 spectrum    1 weight  0.10000E+01 volume  0.85542E-03 ppm1      7.580 ppm2      4.066 CV     1
  OR {  855}
    (( segid "    " and resid 63   and name HN  ))
    (( segid "    " and resid 64   and name HA  ))
  OR {  855}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 56   and name HA  ))
  ASSI { 1001}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
       5.000     3.100     1.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.37779E-04 ppm1      7.601 ppm2      7.028 CV     1
  OR { 1001}
    (( segid "    " and resid 36   and name HN  ))
    (  segid "    " and resid 16   and name HD% )
  ASSI { 1345}
    (( segid "    " and resid 34   and name HD22))
    (( segid "    " and resid 30   and name HB1 ))
       4.200     2.200     1.800 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.33172E-03 ppm1      7.055 ppm2      2.071 CV     1
  OR { 1345}
    (( segid "    " and resid 65   and name HD22))
    (( segid "    " and resid 68   and name HB  ))
  ASSI {   11}
    (( segid "    " and resid 19   and name HD1 ))
    (( segid "    " and resid 19   and name HE1 ))
       2.000     0.500     0.500 peak    11 spectrum    1 weight  0.10000E+01 volume  0.19653E-01 ppm1      1.677 ppm2      2.980 CV     1
  OR {   11}
    (( segid "    " and resid 67   and name HD1 ))
    (( segid "    " and resid 67   and name HE1 ))
  ASSI {   14}
    (  segid "    " and resid 10   and name HG1%)
    (( segid "    " and resid 10   and name HB  ))
       2.000     0.500     0.500 peak    14 spectrum    1 weight  0.10000E+01 volume  0.15490E-01 ppm1      0.929 ppm2      2.037 CV     1
  OR {   14}
    (  segid "    " and resid 78   and name HG1%)
    (( segid "    " and resid 78   and name HB  ))
  ASSI {   31}
    (( segid "    " and resid 66   and name HD2 ))
    (( segid "    " and resid 66   and name HG2 ))
       2.100     0.600     0.600 peak    31 spectrum    1 weight  0.10000E+01 volume  0.11576E-01 ppm1      3.495 ppm2      1.912 CV     1
  OR {   31}
    (( segid "    " and resid 43   and name HD2 ))
    (( segid "    " and resid 43   and name HG1 ))
  ASSI {  100}
    (  segid "    " and resid 12   and name HG1%)
    (( segid "    " and resid 12   and name HA  ))
       2.300     0.700     0.700 peak   100 spectrum    1 weight  0.10000E+01 volume  0.72701E-02 ppm1      0.916 ppm2      4.132 CV     1
  OR {  100}
    (  segid "    " and resid 10   and name HG1%)
    (( segid "    " and resid 10   and name HA  ))
  ASSI {  184}
    (( segid "    " and resid 31   and name HB2 ))
    (  segid "    " and resid 31   and name HD1%)
       2.500     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.54878E-02 ppm1      1.664 ppm2      0.811 CV     1
  OR {  184}
    (( segid "    " and resid 33   and name HB1 ))
    (  segid "    " and resid 33   and name HD1%)
  ASSI {  423}
    (( segid "    " and resid 85   and name HB1 ))
    (( segid "    " and resid 73   and name HB1 ))
       3.000     1.100     1.100 peak   423 spectrum    1 weight  0.10000E+01 volume  0.26399E-02 ppm1      3.012 ppm2      1.943 CV     1
  OR {  423}
    (( segid "    " and resid 67   and name HE1 ))
    (( segid "    " and resid 67   and name HB1 ))
  ASSI {  560}
    (  segid "    " and resid 33   and name HD1%)
    (( segid "    " and resid 55   and name HG12))
       2.700     2.700     3.300 peak   560 spectrum    1 weight  0.10000E+01 volume  0.18071E-02 ppm1      0.825 ppm2      0.643 CV     1
  OR {  560}
    (  segid "    " and resid 31   and name HD1%)
    (  segid "    " and resid 21   and name HD1%)
  ASSI {  601}
    (  segid "    " and resid 12   and name HG1%)
    (( segid "    " and resid 84   and name HA  ))
       3.300     3.300     2.700 peak   601 spectrum    1 weight  0.10000E+01 volume  0.15989E-02 ppm1      0.923 ppm2      4.794 CV     1
  OR {  601}
    (  segid "    " and resid 10   and name HG1%)
    (( segid "    " and resid 84   and name HA  ))
  ASSI {  830}
    (  segid "    " and resid 27   and name HB% )
    (( segid "    " and resid 28   and name HG1 ))
       3.700     1.700     1.700 peak   830 spectrum    1 weight  0.10000E+01 volume  0.10077E-02 ppm1      0.746 ppm2      1.979 CV     1
  OR {  830}
    (  segid "    " and resid 21   and name HG2%)
    (( segid "    " and resid 20   and name HB1 ))
  ASSI { 1055}
    (( segid "    " and resid 78   and name HA  ))
    (  segid "    " and resid 77   and name HB% )
       3.800     1.800     1.800 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.69037E-03 ppm1      3.986 ppm2      1.462 CV     1
  OR { 1055}
    (( segid "    " and resid 75   and name HA  ))
    (  segid "    " and resid 77   and name HB% )
  ASSI { 1075}
    (( segid "    " and resid 36   and name HG1 ))
    (( segid "    " and resid 32   and name HG  ))
       3.500     1.600     1.600 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.66538E-03 ppm1      2.796 ppm2      1.565 CV     1
  OR { 1075}
    (( segid "    " and resid 48   and name HG1 ))
    (  segid "    " and resid 52   and name HB% )
  ASSI { 1079}
    (( segid "    " and resid 32   and name HA  ))
    (  segid "    " and resid 55   and name HD1%)
       3.800     1.800     1.800 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.65871E-03 ppm1      3.984 ppm2      0.683 CV     1
  OR { 1079}
    (( segid "    " and resid 32   and name HA  ))
    (  segid "    " and resid 21   and name HD1%)
  ASSI { 1224}
    (  segid "    " and resid 36   and name HE% )
    (( segid "    " and resid 39   and name HA  ))
       4.000     2.000     2.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.53713E-03 ppm1      1.937 ppm2      4.061 CV     1
  OR { 1224}
    (  segid "    " and resid 36   and name HE% )
    (( segid "    " and resid 52   and name HA  ))
  ASSI { 1342}
    (  segid "    " and resid 14   and name HG2%)
    (( segid "    " and resid 36   and name HG1 ))
       4.100     2.100     1.900 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.46801E-03 ppm1      0.131 ppm2      2.819 CV     1
  OR { 1342}
    (  segid "    " and resid 14   and name HG2%)
    (( segid "    " and resid 15   and name HB2 ))
  ASSI { 1499}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
       4.100     2.100     1.900 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.39389E-03 ppm1      3.714 ppm2      7.091 CV     1
  OR { 1499}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 62   and name HN  ))
  ASSI { 1563}
    (  segid "    " and resid 18   and name HD1%)
    (( segid "    " and resid 22   and name HN  ))
       4.300     2.300     1.700 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.36225E-03 ppm1      0.712 ppm2      7.733 CV     1
  OR { 1563}
    (  segid "    " and resid 18   and name HD1%)
    (( segid "    " and resid 21   and name HN  ))
  ASSI { 1610}
    (( segid "    " and resid 36   and name HG1 ))
    (  segid "    " and resid 39   and name HG2%)
       4.200     2.200     1.800 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.34060E-03 ppm1      2.771 ppm2      1.078 CV     1
  OR { 1610}
    (( segid "    " and resid 36   and name HG1 ))
    (  segid "    " and resid 50   and name HD1%)
  ASSI { 1808}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 36   and name HG2 ))
       3.400     1.500     1.500 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.26732E-03 ppm1      1.080 ppm2      2.627 CV     1
  OR { 1808}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 35   and name HB1 ))
  ASSI { 1918}
    (( segid "    " and resid 20   and name HB1 ))
    (( segid "    " and resid 21   and name HB  ))
       4.400     2.400     1.600 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.23567E-03 ppm1      1.935 ppm2      1.270 CV     1
  OR { 1918}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 18   and name HB2 ))
  ASSI { 2073}
    (( segid "    " and resid 11   and name HB1 ))
    (( segid "    " and resid 84   and name HB2 ))
       4.600     2.700     1.400 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.18987E-03 ppm1      2.521 ppm2      1.947 CV     1
  OR { 2073}
    (( segid "    " and resid 11   and name HB1 ))
    (( segid "    " and resid 12   and name HB  ))
  ASSI { 2074}
    (( segid "    " and resid 14   and name HB  ))
    (  segid "    " and resid 88   and name HG2%)
       4.800     2.900     1.200 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.18987E-03 ppm1      1.270 ppm2      0.749 CV     1
  OR { 2074}
    (( segid "    " and resid 14   and name HB  ))
    (  segid "    " and resid 55   and name HD1%)
  ASSI { 2282}
    (( segid "    " and resid 75   and name HG2 ))
    (( segid "    " and resid 45   and name HA  ))
       5.000     3.200     1.000 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.13574E-03 ppm1      1.874 ppm2      4.378 CV     1
  OR { 2282}
    (( segid "    " and resid 75   and name HG2 ))
    (( segid "    " and resid 83   and name HA  ))
  ASSI { 2347}
    (( segid "    " and resid 21   and name HG11))
    (( segid "    " and resid 89   and name HZ  ))
       5.400     3.600     0.600 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.12075E-03 ppm1      1.020 ppm2      7.090 CV     1
  OR { 2347}
    (( segid "    " and resid 21   and name HG11))
    (  segid "    " and resid 16   and name HE% )
  ASSI { 2545}
    (( segid "    " and resid 21   and name HG12))
    (  segid "    " and resid 89   and name HD% )
       5.400     3.600     0.600 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.82774E-04 ppm1      0.971 ppm2      7.064 CV     1
  OR { 2545}
    (( segid "    " and resid 21   and name HG12))
    (  segid "    " and resid 16   and name HE% )
  OR { 2545}
    (( segid "    " and resid 21   and name HG11))
    (  segid "    " and resid 89   and name HD% )
  ASSI { 2578}
    (( segid "    " and resid 54   and name HB  ))
    (  segid "    " and resid 16   and name HE% )
       5.200     3.400     0.800 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.73281E-04 ppm1      2.104 ppm2      7.103 CV     1
  OR { 2578}
    (( segid "    " and resid 54   and name HB  ))
    (( segid "    " and resid 53   and name HE3 ))
  ASSI { 2700}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 85   and name HB2 ))
       6.000     4.600     0.000 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.49050E-04 ppm1      0.811 ppm2      2.794 CV     1
  OR { 2700}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 72   and name HB1 ))
  ASSI {   24}
    (( segid "    " and resid 53   and name HD1 ))
    (( segid "    " and resid 50   and name HB1 ))
       2.700     2.700     3.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.86608E-03 ppm1      7.152 ppm2      2.233 CV     1
  OR {   24}
    (( segid "    " and resid 53   and name HD1 ))
    (( segid "    " and resid 51   and name HB1 ))
  ASSI {   36}
    (  segid "    " and resid 26   and name HD% )
    (( segid "    " and resid 59   and name HB1 ))
       3.700     1.700     1.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.52614E-03 ppm1      7.038 ppm2      2.777 CV     1
  OR {   36}
    (  segid "    " and resid 16   and name HD% )
    (( segid "    " and resid 36   and name HG1 ))
assign (resid 20 and name HN) (resid 17 and name O) 2.2 1.0 0.0
assign (resid 20 and name N)  (resid 17 and name O) 3.2 1.0 0.0
assign (resid 21 and name HN) (resid  17: 18 and name O) 2.2 1.0 0.0 
assign (resid 21 and name N)  (resid  17: 18 and name O) 3.2 1.0 0.0
assign (resid 23 and name HN) (resid 20 and name O) 2.2 1.0 0.0
assign (resid 23 and name N)  (resid 20 and name O) 3.2 1.0 0.0
assign (resid 29 and name HN) (resid 24: 26 and name O) 2.2 1.0 0.0
assign (resid 29 and name  N) (resid 24: 26 and name O) 3.2 1.0 0.0
assign (resid 32 and name HN) (resid 27: 29 and name O) 2.2 1.0 0.0
assign (resid 32 and name  N) (resid 27: 29 and name O) 3.2 1.0 0.0
assign (resid 34 and name HN) (resid 30 and name O) 1.8 0.3 0.3
assign (resid 34 and name  N) (resid 30 and name O) 2.8 0.3 0.3
assign (resid 35 and name HN) (resid 31 and name O) 1.8 0.3 0.3
assign (resid 35 and name  N) (resid 31 and name O) 2.8 0.3 0.3
assign (resid 36 and name HN) (resid 32 and name O) 1.8 0.3 0.3
assign (resid 36 and name  N) (resid 32 and name O) 2.8 0.3 0.3
assign (resid 37 and name HN) (resid 33 and name O) 1.8 0.3 0.3
assign (resid 37 and name  N) (resid 33 and name O) 2.8 0.3 0.3
assign (resid 38 and name HN) (resid 34 and name O) 1.8 0.3 0.3
assign (resid 38 and name  N) (resid 34 and name O) 2.8 0.3 0.3
assign (resid 39 and name HN) (resid 35 and name O) 1.8 0.3 0.3
assign (resid 39 and name  N) (resid 35 and name O) 2.8 0.3 0.3
assign (resid 51 and name HN) (resid 47 and name O) 1.8 0.3 0.3
assign (resid 51 and name  N) (resid 47 and name O) 2.8 0.3 0.3
assign (resid 52 and name HN) (resid 48 and name O) 1.8 0.3 0.3
assign (resid 52 and name  N) (resid 48 and name O) 2.8 0.3 0.3
assign (resid 53 and name HN) (resid 49 and name O) 1.8 0.3 0.3
assign (resid 53 and name  N) (resid 49 and name O) 2.8 0.3 0.3
assign (resid 54 and name HN) (resid 50 and name O) 1.8 0.3 0.3
assign (resid 54 and name  N) (resid 50 and name O) 2.8 0.3 0.3
assign (resid 55 and name HN) (resid 51 and name O) 1.8 0.3 0.3
assign (resid 55 and name  N) (resid 51 and name O) 2.8 0.3 0.3
assign (resid 56 and name HN) (resid 52 and name O) 1.8 0.3 0.3
assign (resid 56 and name  N) (resid 52 and name O) 2.8 0.3 0.3
assign (resid 57 and name HN) (resid 53 and name O) 1.8 0.3 0.3
assign (resid 57 and name  N) (resid 53 and name O) 2.8 0.3 0.3
assign (resid 58 and name HN) (resid 54 and name O) 1.8 0.3 0.3
assign (resid 58 and name  N) (resid 54 and name O) 2.8 0.3 0.3
assign (resid 59 and name HN) (resid 55 and name O) 1.8 0.3 0.3
assign (resid 59 and name  N) (resid 55 and name O) 2.8 0.3 0.3
assign (resid 60 and name HN) (resid 56 and name O) 1.8 0.3 0.3
assign (resid 60 and name  N) (resid 56 and name O) 2.8 0.3 0.3
assign (resid 61 and name HN) (resid 57 and name O) 1.8 0.3 0.3
assign (resid 61 and name  N) (resid 57 and name O) 2.8 0.3 0.3
assign (resid 62 and name HN) (resid 58 and name O) 1.8 0.3 0.3
assign (resid 62 and name  N) (resid 58 and name O) 2.8 0.3 0.3
assign (resid 63 and name HN) (resid 59 and name O) 1.8 0.3 0.3
assign (resid 63 and name  N) (resid 59 and name O) 2.8 0.3 0.3
assign (resid 73 and name HN) (resid 85 and name O) 1.8 0.3 0.3
assign (resid 73 and name  N) (resid 85 and name O) 2.8 0.3 0.3
assign (resid 85 and name HN) (resid 73 and name O) 1.8 0.3 0.3
assign (resid 85 and name  N) (resid 73 and name O) 2.8 0.3 0.3
assign (resid 71 and name HN) (resid 87 and name O) 1.8 0.3 0.3
assign (resid 71 and name  N) (resid 87 and name O) 2.8 0.3 0.3
assign (resid 87 and name HN) (resid 71 and name O) 1.8 0.3 0.3
assign (resid 87 and name  N) (resid 71 and name O) 2.8 0.3 0.3
assign (resid 89 and name HN) (resid 69 and name O) 1.8 0.3 0.3
assign (resid 89 and name  N) (resid 69 and name O) 2.8 0.3 0.3
assign (resid 84 and name HN) (resid 10 and name O) 1.8 0.3 0.3
assign (resid 84 and name  N) (resid 10 and name O) 2.8 0.3 0.3
assign (resid 10 and name HN) (resid 82 and name O) 1.8 0.3 0.3
assign (resid 10 and name  N) (resid 82 and name O) 2.8 0.3 0.3
assign (resid 12 and name HN) (resid 84 and name O) 1.8 0.3 0.3
assign (resid 12 and name  N) (resid 84 and name O) 2.8 0.3 0.3
assign (resid 86 and name HN) (resid 12 and name O) 1.8 0.3 0.3
assign (resid 86 and name  N) (resid 12 and name O) 2.8 0.3 0.3
assign (resid 14 and name HN) (resid 86 and name O) 1.8 0.3 0.3
assign (resid 14 and name  N) (resid 86 and name O) 2.8 0.3 0.3
assign (resid 88 and name HN) (resid 14 and name O) 1.8 0.3 0.3
assign (resid 88 and name  N) (resid 14 and name O) 2.8 0.3 0.3
assign (resid 16 and name HN) (resid 88 and name O) 1.8 0.3 0.3
assign (resid 16 and name  N) (resid 88 and name O) 2.8 0.3 0.3
assign (resid 90 and name HN) (resid 16 and name O) 1.8 0.3 0.3
assign (resid 90 and name  N) (resid 16 and name O) 2.8 0.3 0.3
assign (resid 18 and name HN) (resid 90 and name O) 1.8 0.3 0.3
assign (resid 18 and name  N) (resid 90 and name O) 2.8 0.3 0.3

! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/jrmpires/aria_calc/hyp11/pred_edited_51.tab
!
! settings: min phiError=1.0, min psiError=1.0, errorFactor=1.0
!

! Talos derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -105  19 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -115  23 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -109  27 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -110  20 2

! Talos derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -105  17 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -115  19 2

! Talos derived phi restraint:
assign (resid  14 and name C)
       (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       1.0 -118  18 2

! Talos derived phi restraint:
assign (resid  17 and name C)
       (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       1.0 -49   6 2

! Talos derived phi restraint:
assign (resid  18 and name C)
       (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       1.0 -63  14 2

! Talos derived phi restraint:
assign (resid  19 and name C)
       (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       1.0 -91  10 2

! Talos derived phi restraint:
assign (resid  25 and name C)
       (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       1.0 -71  12 2

! Talos derived phi restraint:
assign (resid  29 and name C)
       (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       1.0 -58   6 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -66  10 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -64   8 2

! Talos derived phi restraint:
assign (resid  32 and name C)
       (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       1.0 -62   8 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -65   8 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -76  11 2

! Talos derived phi restraint:
assign (resid  49 and name C)
       (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       1.0 -52   5 2

! Talos derived phi restraint:
assign (resid  50 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -68  12 2

! Talos derived phi restraint:
assign (resid  51 and name C)
       (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       1.0 -61   2 2

! Talos derived phi restraint:
assign (resid  52 and name C)
       (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       1.0 -65   6 2

! Talos derived phi restraint:
assign (resid  53 and name C)
       (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       1.0 -64   5 2

! Talos derived phi restraint:
assign (resid  54 and name C)
       (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       1.0 -62   5 2

! Talos derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -65   9 2

! Talos derived phi restraint:
assign (resid  56 and name C)
       (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       1.0 -65   6 2

! Talos derived phi restraint:
assign (resid  57 and name C)
       (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       1.0 -60   5 2

! Talos derived phi restraint:
assign (resid  59 and name C)
       (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       1.0 -64   5 2

! Talos derived phi restraint:
assign (resid  60 and name C)
       (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       1.0 -67   8 2

! Talos derived phi restraint:
assign (resid  61 and name C)
       (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       1.0 -71  13 2

! Talos derived phi restraint:
assign (resid  62 and name C)
       (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       1.0 -70  11 2

! Talos derived phi restraint:
assign (resid  69 and name C)
       (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       1.0 -144  20 2

! Talos derived phi restraint:
assign (resid  70 and name C)
       (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       1.0 -131  15 2

! Talos derived phi restraint:
assign (resid  71 and name C)
       (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       1.0 -125  13 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -124  15 2

! Talos derived phi restraint:
assign (resid  73 and name C)
       (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       1.0 -115  16 2

! Talos derived phi restraint:
assign (resid  77 and name C)
       (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       1.0 -70  12 2

! Talos derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -64   6 2

! Talos derived phi restraint:
assign (resid  79 and name C)
       (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       1.0 -72   7 2

! Talos derived phi restraint:
assign (resid  82 and name C)
       (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       1.0 -115  25 2

! Talos derived phi restraint:
assign (resid  83 and name C)
       (resid  84 and name N)
       (resid  84 and name CA)
       (resid  84 and name C)
       1.0 -130  19 2

! Talos derived phi restraint:
assign (resid  84 and name C)
       (resid  85 and name N)
       (resid  85 and name CA)
       (resid  85 and name C)
       1.0 -119  20 2

! Talos derived phi restraint:
assign (resid  85 and name C)
       (resid  86 and name N)
       (resid  86 and name CA)
       (resid  86 and name C)
       1.0 -106  16 2

! Talos derived phi restraint:
assign (resid  86 and name C)
       (resid  87 and name N)
       (resid  87 and name CA)
       (resid  87 and name C)
       1.0 -107  14 2

! Talos derived phi restraint:
assign (resid  87 and name C)
       (resid  88 and name N)
       (resid  88 and name CA)
       (resid  88 and name C)
       1.0 -110  14 2

! Talos derived phi restraint:
assign (resid  88 and name C)
       (resid  89 and name N)
       (resid  89 and name CA)
       (resid  89 and name C)
       1.0 -114  10 2

! Talos derived phi restraint:
assign (resid  89 and name C)
       (resid  90 and name N)
       (resid  90 and name CA)
       (resid  90 and name C)
       1.0 -94  16 2

! Talos derived phi restraint:
assign (resid  90 and name C)
       (resid  91 and name N)
       (resid  91 and name CA)
       (resid  91 and name C)
       1.0 -113  29 2

! Talos derived psi restraint:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid  10 and name N)
       1.0 131  21 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 131  11 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 132  12 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 129   9 2

! Talos derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 124  11 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 138  14 2

! Talos derived psi restraint:
assign (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       (resid  16 and name N)
       1.0 132  19 2

! Talos derived psi restraint:
assign (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       (resid  19 and name N)
       1.0 -43   8 2

! Talos derived psi restraint:
assign (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       (resid  20 and name N)
       1.0 -32  12 2

! Talos derived psi restraint:
assign (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       (resid  21 and name N)
       1.0  -9  26 2

! Talos derived psi restraint:
assign (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       (resid  27 and name N)
       1.0 -23  24 2

! Talos derived psi restraint:
assign (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       (resid  31 and name N)
       1.0 -34  13 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 -31  11 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 -37  15 2

! Talos derived psi restraint:
assign (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       (resid  34 and name N)
       1.0 -41   5 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 -35  14 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 -27  16 2

! Talos derived psi restraint:
assign (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       (resid  51 and name N)
       1.0 -37   6 2

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 -35  14 2

! Talos derived psi restraint:
assign (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       (resid  53 and name N)
       1.0 -41   6 2

! Talos derived psi restraint:
assign (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       (resid  54 and name N)
       1.0 -41   7 2

! Talos derived psi restraint:
assign (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       (resid  55 and name N)
       1.0 -46   5 2

! Talos derived psi restraint:
assign (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       (resid  56 and name N)
       1.0 -40   7 2

! Talos derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0 -42   8 2

! Talos derived psi restraint:
assign (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       (resid  58 and name N)
       1.0 -42   6 2

! Talos derived psi restraint:
assign (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       (resid  59 and name N)
       1.0 -40   5 2

! Talos derived psi restraint:
assign (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       (resid  61 and name N)
       1.0 -41   6 2

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 -36   8 2

! Talos derived psi restraint:
assign (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       (resid  63 and name N)
       1.0 -33  14 2

! Talos derived psi restraint:
assign (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       (resid  64 and name N)
       1.0 -37   9 2

! Talos derived psi restraint:
assign (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       (resid  71 and name N)
       1.0 160   8 2

! Talos derived psi restraint:
assign (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       (resid  72 and name N)
       1.0 140  16 2

! Talos derived psi restraint:
assign (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       (resid  73 and name N)
       1.0 126  13 2

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 135   9 2

! Talos derived psi restraint:
assign (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       (resid  75 and name N)
       1.0 111  19 2

! Talos derived psi restraint:
assign (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       (resid  79 and name N)
       1.0 -27  20 2

! Talos derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 -32   7 2

! Talos derived psi restraint:
assign (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       (resid  81 and name N)
       1.0 -22  14 2

! Talos derived psi restraint:
assign (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       (resid  84 and name N)
       1.0 145  14 2

! Talos derived psi restraint:
assign (resid  84 and name N)
       (resid  84 and name CA)
       (resid  84 and name C)
       (resid  85 and name N)
       1.0 151  13 2

! Talos derived psi restraint:
assign (resid  85 and name N)
       (resid  85 and name CA)
       (resid  85 and name C)
       (resid  86 and name N)
       1.0 129  12 2

! Talos derived psi restraint:
assign (resid  86 and name N)
       (resid  86 and name CA)
       (resid  86 and name C)
       (resid  87 and name N)
       1.0 117  13 2

! Talos derived psi restraint:
assign (resid  87 and name N)
       (resid  87 and name CA)
       (resid  87 and name C)
       (resid  88 and name N)
       1.0 123   9 2

! Talos derived psi restraint:
assign (resid  88 and name N)
       (resid  88 and name CA)
       (resid  88 and name C)
       (resid  89 and name N)
       1.0 131  10 2

! Talos derived psi restraint:
assign (resid  89 and name N)
       (resid  89 and name CA)
       (resid  89 and name C)
       (resid  90 and name N)
       1.0 122  15 2

! Talos derived psi restraint:
assign (resid  90 and name N)
       (resid  90 and name CA)
       (resid  90 and name C)
       (resid  91 and name N)
       1.0 129  13 2

! Talos derived psi restraint:
assign (resid  91 and name N)
       (resid  91 and name CA)
       (resid  91 and name C)
       (resid  92 and name N)
       1.0 125   9 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1HT      GLY   1   1.281 -15.532 -22.593
    2    H2   GLY   1           2HT      GLY   1   2.941 -15.768 -22.387
    3    H3   GLY   1           3HT      GLY   1   1.840 -16.774 -21.592
    4    HA2  GLY   1           1HA      GLY   1   2.230 -16.611 -24.526
    5    HA3  GLY   1           2HA      GLY   1   2.815 -17.904 -23.487
    6    H    SER   2           H        SER   2   1.511 -19.163 -25.091
    7    HA   SER   2           HA       SER   2  -1.361 -18.987 -24.846
    8    HB2  SER   2           2HB      SER   2  -1.172 -21.085 -26.363
    9    HB3  SER   2           1HB      SER   2  -0.681 -19.525 -27.021
   10    HG   SER   2           HG       SER   2   0.865 -21.743 -26.319
   11    H    ALA   3           H        ALA   3  -0.480 -19.425 -22.375
   12    HA   ALA   3           HA       ALA   3  -1.515 -22.078 -21.799
   13    HB1  ALA   3           1HB      ALA   3   0.308 -22.668 -20.306
   14    HB2  ALA   3           2HB      ALA   3   1.146 -21.169 -20.704
   15    HB3  ALA   3           3HB      ALA   3   0.919 -22.406 -21.939
   16    H    MET   4           H        MET   4  -3.264 -20.671 -21.167
   17    HA   MET   4           HA       MET   4  -2.819 -18.774 -19.030
   18    HB2  MET   4           2HB      MET   4  -5.374 -19.652 -20.385
   19    HB3  MET   4           1HB      MET   4  -5.241 -18.336 -19.229
   20    HG2  MET   4           2HG      MET   4  -3.799 -17.114 -20.746
   21    HG3  MET   4           1HG      MET   4  -3.853 -18.449 -21.896
   22    HE1  MET   4           3HE      MET   4  -5.876 -15.622 -20.113
   23    HE2  MET   4           1HE      MET   4  -6.839 -17.040 -19.706
   24    HE3  MET   4           2HE      MET   4  -7.488 -15.819 -20.801
   25    H    GLY   5           H        GLY   5  -1.991 -20.899 -17.859
   26    HA2  GLY   5           2HA      GLY   5  -4.055 -22.439 -16.577
   27    HA3  GLY   5           1HA      GLY   5  -2.345 -22.435 -16.161
   28    H    HIS   6           H        HIS   6  -1.546 -20.842 -14.748
   29    HA   HIS   6           HA       HIS   6  -3.426 -18.973 -13.550
   30    HB2  HIS   6           2HB      HIS   6  -2.003 -21.125 -11.982
   31    HB3  HIS   6           1HB      HIS   6  -2.568 -19.642 -11.232
   32    HD1  HIS   6           1HD      HIS   6  -5.160 -19.327 -11.034
   33    HD2  HIS   6           2HD      HIS   6  -3.959 -23.018 -12.528
   34    HE1  HIS   6           1HE      HIS   6  -7.186 -20.807 -10.894
   35    HE2  HIS   6           2HE      HIS   6  -6.460 -23.010 -11.878
   36    H    MET   7           H        MET   7  -2.444 -17.093 -12.985
   37    HA   MET   7           HA       MET   7   0.481 -17.011 -13.215
   38    HB2  MET   7           2HB      MET   7  -0.818 -15.473 -14.677
   39    HB3  MET   7           1HB      MET   7  -1.485 -14.711 -13.241
   40    HG2  MET   7           2HG      MET   7   0.699 -13.948 -12.573
   41    HG3  MET   7           1HG      MET   7   1.447 -14.821 -13.909
   42    HE1  MET   7           3HE      MET   7  -1.296 -11.145 -14.420
   43    HE2  MET   7           1HE      MET   7  -0.843 -11.830 -12.861
   44    HE3  MET   7           2HE      MET   7  -1.907 -12.727 -13.942
   45    HA   PRO   8           HA       PRO   8   0.059 -17.016  -8.753
   46    HB2  PRO   8           2HB      PRO   8   2.654 -17.488  -8.184
   47    HB3  PRO   8           1HB      PRO   8   1.565 -18.744  -8.780
   48    HG2  PRO   8           2HG      PRO   8   3.587 -17.126 -10.279
   49    HG3  PRO   8           1HG      PRO   8   3.246 -18.863 -10.384
   50    HD2  PRO   8           2HD      PRO   8   2.300 -17.061 -12.183
   51    HD3  PRO   8           1HD      PRO   8   1.432 -18.551 -11.762
   52    H    ALA   9           H        ALA   9   1.727 -14.763 -10.672
   53    HA   ALA   9           HA       ALA   9   2.797 -13.244  -8.449
   54    HB1  ALA   9           1HB      ALA   9   4.024 -13.309 -10.566
   55    HB2  ALA   9           2HB      ALA   9   3.546 -11.662 -10.154
   56    HB3  ALA   9           3HB      ALA   9   2.654 -12.557 -11.384
   57    H    VAL  10           H        VAL  10   1.408 -12.197  -7.218
   58    HA   VAL  10           HA       VAL  10  -0.999 -11.050  -8.450
   59    HB   VAL  10           HB       VAL  10  -0.416 -11.533  -5.521
   60   HG11  VAL  10          1HG1      VAL  10  -2.971 -10.742  -6.915
   61   HG12  VAL  10          2HG1      VAL  10  -1.985  -9.707  -5.883
   62   HG13  VAL  10          3HG1      VAL  10  -2.804 -11.109  -5.197
   63   HG21  VAL  10          3HG2      VAL  10  -0.600 -13.635  -6.735
   64   HG22  VAL  10          1HG2      VAL  10  -2.128 -13.109  -7.441
   65   HG23  VAL  10          2HG2      VAL  10  -2.011 -13.389  -5.703
   66    H    ASP  11           H        ASP  11  -0.949  -8.978  -8.899
   67    HA   ASP  11           HA       ASP  11   0.615  -7.168  -7.183
   68    HB2  ASP  11           2HB      ASP  11  -0.339  -6.871 -10.042
   69    HB3  ASP  11           1HB      ASP  11   0.315  -5.533  -9.107
   70    H    VAL  12           H        VAL  12  -0.565  -6.080  -5.753
   71    HA   VAL  12           HA       VAL  12  -3.379  -5.509  -6.430
   72    HB   VAL  12           HB       VAL  12  -2.163  -5.586  -3.664
   73   HG11  VAL  12          1HG1      VAL  12  -4.062  -4.149  -3.716
   74   HG12  VAL  12          2HG1      VAL  12  -4.574  -5.672  -2.988
   75   HG13  VAL  12          3HG1      VAL  12  -4.989  -5.314  -4.662
   76   HG21  VAL  12          3HG2      VAL  12  -2.141  -7.821  -4.630
   77   HG22  VAL  12          1HG2      VAL  12  -3.843  -7.669  -5.061
   78   HG23  VAL  12          2HG2      VAL  12  -3.364  -7.708  -3.364
   79    H    GLU  13           H        GLU  13  -3.840  -3.435  -6.828
   80    HA   GLU  13           HA       GLU  13  -1.759  -1.480  -6.193
   81    HB2  GLU  13           2HB      GLU  13  -4.009  -1.259  -8.197
   82    HB3  GLU  13           1HB      GLU  13  -2.673  -0.131  -7.993
   83    HG2  GLU  13           2HG      GLU  13  -1.126  -2.026  -8.566
   84    HG3  GLU  13           1HG      GLU  13  -2.556  -2.957  -8.998
   85    H    ILE  14           H        ILE  14  -2.103  -0.333  -4.474
   86    HA   ILE  14           HA       ILE  14  -4.845   0.198  -3.601
   87    HB   ILE  14           HB       ILE  14  -2.404   0.944  -2.011
   88   HG12  ILE  14          2HG1      ILE  14  -3.729  -1.788  -2.067
   89   HG13  ILE  14          1HG1      ILE  14  -2.101  -1.427  -2.625
   90   HG21  ILE  14          1HG2      ILE  14  -5.223   0.145  -1.287
   91   HG22  ILE  14          2HG2      ILE  14  -4.551   1.775  -1.262
   92   HG23  ILE  14          3HG2      ILE  14  -3.956   0.558  -0.134
   93   HD11  ILE  14          3HD1      ILE  14  -2.061  -2.487  -0.441
   94   HD12  ILE  14          1HD1      ILE  14  -3.087  -1.213   0.217
   95   HD13  ILE  14          2HD1      ILE  14  -1.456  -0.833  -0.337
   96    H    HIS  15           H        HIS  15  -5.460   2.371  -3.034
   97    HA   HIS  15           HA       HIS  15  -3.786   4.419  -4.319
   98    HB2  HIS  15           2HB      HIS  15  -6.801   4.191  -4.351
   99    HB3  HIS  15           1HB      HIS  15  -5.908   5.599  -4.916
  100    HD1  HIS  15           1HD      HIS  15  -7.160   2.348  -5.996
  101    HD2  HIS  15           2HD      HIS  15  -4.214   5.011  -7.225
  102    HE1  HIS  15           1HE      HIS  15  -6.542   1.642  -8.328
  103    HE2  HIS  15           2HE      HIS  15  -4.893   3.378  -9.114
  104    H    PHE  16           H        PHE  16  -3.180   6.014  -3.057
  105    HA   PHE  16           HA       PHE  16  -4.655   6.485  -0.541
  106    HB2  PHE  16           2HB      PHE  16  -1.711   6.678  -1.173
  107    HB3  PHE  16           1HB      PHE  16  -2.413   7.481   0.219
  108    HD1  PHE  16           2HD      PHE  16  -4.048   4.396  -0.466
  109    HD2  PHE  16           1HD      PHE  16  -0.602   6.094   1.352
  110    HE1  PHE  16           2HE      PHE  16  -3.756   2.364   0.884
  111    HE2  PHE  16           1HE      PHE  16  -0.307   4.064   2.702
  112    HZ   PHE  16           HZ       PHE  16  -1.886   2.194   2.469
  113    HA   PRO  17           HA       PRO  17  -5.332  10.629  -2.241
  114    HB2  PRO  17           2HB      PRO  17  -5.989  11.129   0.612
  115    HB3  PRO  17           1HB      PRO  17  -6.925  11.511  -0.837
  116    HG2  PRO  17           2HG      PRO  17  -7.652   9.500   0.746
  117    HG3  PRO  17           1HG      PRO  17  -7.775   9.363  -1.018
  118    HD2  PRO  17           2HD      PRO  17  -5.722   8.212   0.833
  119    HD3  PRO  17           1HD      PRO  17  -6.486   7.483  -0.595
  120    H    LEU  18           H        LEU  18  -3.446  11.579  -2.620
  121    HA   LEU  18           HA       LEU  18  -1.132  11.405  -1.146
  122    HB2  LEU  18           2HB      LEU  18  -1.420  12.118  -3.545
  123    HB3  LEU  18           1HB      LEU  18  -1.850  13.709  -2.956
  124    HG   LEU  18           HG       LEU  18   0.793  12.496  -2.206
  125   HD11  LEU  18          1HD1      LEU  18   1.783  13.567  -4.173
  126   HD12  LEU  18          2HD1      LEU  18   0.172  13.989  -4.752
  127   HD13  LEU  18          3HD1      LEU  18   0.647  12.297  -4.627
  128   HD21  LEU  18          3HD2      LEU  18   1.475  14.839  -2.105
  129   HD22  LEU  18          1HD2      LEU  18   0.081  14.544  -1.068
  130   HD23  LEU  18          2HD2      LEU  18  -0.133  15.340  -2.627
  131    H    LYS  19           H        LYS  19  -3.680  13.805  -0.854
  132    HA   LYS  19           HA       LYS  19  -2.145  15.647   0.683
  133    HB2  LYS  19           2HB      LYS  19  -5.107  15.341   0.251
  134    HB3  LYS  19           1HB      LYS  19  -4.443  16.560   1.324
  135    HG2  LYS  19           2HG      LYS  19  -4.791  17.699  -0.661
  136    HG3  LYS  19           1HG      LYS  19  -3.070  17.319  -0.700
  137    HD2  LYS  19           2HD      LYS  19  -3.421  15.543  -2.250
  138    HD3  LYS  19           1HD      LYS  19  -5.169  15.622  -2.037
  139    HE2  LYS  19           2HE      LYS  19  -3.457  17.813  -3.191
  140    HE3  LYS  19           1HE      LYS  19  -4.368  16.637  -4.131
  141    HZ1  LYS  19           3HZ      LYS  19  -6.410  17.464  -3.051
  142    HZ2  LYS  19           1HZ      LYS  19  -5.617  18.668  -3.947
  143    HZ3  LYS  19           2HZ      LYS  19  -5.495  18.651  -2.261
  144    H    ARG  20           H        ARG  20  -4.235  12.937   1.510
  145    HA   ARG  20           HA       ARG  20  -4.290  13.731   4.302
  146    HB2  ARG  20           2HB      ARG  20  -5.597  11.490   2.786
  147    HB3  ARG  20           1HB      ARG  20  -5.640  11.574   4.539
  148    HG2  ARG  20           2HG      ARG  20  -7.665  12.495   3.806
  149    HG3  ARG  20           1HG      ARG  20  -6.667  13.868   4.275
  150    HD2  ARG  20           2HD      ARG  20  -6.451  14.614   2.130
  151    HD3  ARG  20           1HD      ARG  20  -6.577  12.995   1.440
  152    HE   ARG  20           HE       ARG  20  -9.031  13.215   2.208
  153   HH11  ARG  20          1HH1      ARG  20  -7.078  15.878   1.009
  154   HH12  ARG  20          2HH1      ARG  20  -8.417  16.705   0.289
  155   HH21  ARG  20          1HH2      ARG  20 -10.800  14.335   1.294
  156   HH22  ARG  20          2HH2      ARG  20 -10.538  15.842   0.479
  157    H    ILE  21           H        ILE  21  -2.834  11.228   2.286
  158    HA   ILE  21           HA       ILE  21  -1.784   9.697   4.422
  159    HB   ILE  21           HB       ILE  21  -1.916   8.822   2.124
  160   HG12  ILE  21          2HG1      ILE  21   0.328   7.749   2.066
  161   HG13  ILE  21          1HG1      ILE  21   0.876   8.893   3.285
  162   HG21  ILE  21          1HG2      ILE  21  -0.132   9.474   0.496
  163   HG22  ILE  21          2HG2      ILE  21   0.259  10.823   1.563
  164   HG23  ILE  21          3HG2      ILE  21  -1.334  10.723   0.816
  165   HD11  ILE  21          3HD1      ILE  21  -1.337   6.886   3.648
  166   HD12  ILE  21          1HD1      ILE  21  -0.725   7.999   4.872
  167   HD13  ILE  21          2HD1      ILE  21   0.315   6.721   4.244
  168    H    ALA  22           H        ALA  22  -0.898  12.695   2.990
  169    HA   ALA  22           HA       ALA  22   1.742  12.714   4.235
  170    HB1  ALA  22           1HB      ALA  22   2.107  14.777   3.016
  171    HB2  ALA  22           2HB      ALA  22   0.426  14.786   2.485
  172    HB3  ALA  22           3HB      ALA  22   1.522  13.523   1.925
  173    H    ALA  23           H        ALA  23  -0.843  12.828   5.759
  174    HA   ALA  23           HA       ALA  23  -0.251  15.284   7.256
  175    HB1  ALA  23           1HB      ALA  23  -3.025  14.352   6.518
  176    HB2  ALA  23           2HB      ALA  23  -2.188  15.747   5.833
  177    HB3  ALA  23           3HB      ALA  23  -2.630  15.734   7.540
  178    H    GLU  24           H        GLU  24  -1.391  15.240   9.417
  179    HA   GLU  24           HA       GLU  24  -1.227  12.545  10.559
  180    HB2  GLU  24           2HB      GLU  24  -0.094  14.853  11.447
  181    HB3  GLU  24           1HB      GLU  24  -1.609  14.884  12.337
  182    HG2  GLU  24           2HG      GLU  24   0.453  12.689  12.383
  183    HG3  GLU  24           1HG      GLU  24   0.124  13.853  13.664
  184    H    GLY  25           H        GLY  25  -2.995  11.652  11.613
  185    HA2  GLY  25           2HA      GLY  25  -5.284  11.491  12.153
  186    HA3  GLY  25           1HA      GLY  25  -5.536  13.094  11.465
  187    H    TYR  26           H        TYR  26  -3.697  10.703   9.805
  188    HA   TYR  26           HA       TYR  26  -5.154  10.949   7.421
  189    HB2  TYR  26           2HB      TYR  26  -3.774   8.946   6.699
  190    HB3  TYR  26           1HB      TYR  26  -2.862  10.341   7.267
  191    HD1  TYR  26           2HD      TYR  26  -3.881   6.892   8.042
  192    HD2  TYR  26           1HD      TYR  26  -1.584  10.239   9.313
  193    HE1  TYR  26           2HE      TYR  26  -2.711   5.466   9.670
  194    HE2  TYR  26           1HE      TYR  26  -0.408   8.822  10.938
  195    HH   TYR  26           HH       TYR  26  -0.821   6.705  12.176
  196    H    ALA  27           H        ALA  27  -5.464   8.774  10.119
  197    HA   ALA  27           HA       ALA  27  -6.920   6.739   8.766
  198    HB1  ALA  27           1HB      ALA  27  -5.690   6.332  10.851
  199    HB2  ALA  27           2HB      ALA  27  -7.382   5.847  10.970
  200    HB3  ALA  27           3HB      ALA  27  -6.841   7.351  11.713
  201    H    GLU  28           H        GLU  28  -7.779   9.859   9.516
  202    HA   GLU  28           HA       GLU  28 -10.596   9.248   9.926
  203    HB2  GLU  28           2HB      GLU  28  -9.112  11.870   9.788
  204    HB3  GLU  28           1HB      GLU  28 -10.854  11.738   9.997
  205    HG2  GLU  28           2HG      GLU  28 -10.411  10.390  12.058
  206    HG3  GLU  28           1HG      GLU  28  -8.706  10.801  11.874
  207    H    ASP  29           H        ASP  29  -8.501   9.585   7.335
  208    HA   ASP  29           HA       ASP  29 -10.396  10.824   5.542
  209    HB2  ASP  29           2HB      ASP  29  -8.002  11.124   5.120
  210    HB3  ASP  29           1HB      ASP  29  -7.809   9.384   4.913
  211    H    GLU  30           H        GLU  30 -11.996   9.839   4.599
  212    HA   GLU  30           HA       GLU  30 -12.654   7.220   5.436
  213    HB2  GLU  30           2HB      GLU  30 -14.307   9.010   5.081
  214    HB3  GLU  30           1HB      GLU  30 -13.953   8.989   3.361
  215    HG2  GLU  30           2HG      GLU  30 -14.781   6.709   3.207
  216    HG3  GLU  30           1HG      GLU  30 -15.117   6.709   4.940
  217    H    LEU  31           H        LEU  31 -11.357   8.616   2.524
  218    HA   LEU  31           HA       LEU  31 -11.746   6.374   0.840
  219    HB2  LEU  31           2HB      LEU  31 -10.517   8.969   0.701
  220    HB3  LEU  31           1HB      LEU  31  -9.467   7.761  -0.015
  221    HG   LEU  31           HG       LEU  31 -11.731   7.061  -1.223
  222   HD11  LEU  31          1HD1      LEU  31 -13.097   8.717  -0.074
  223   HD12  LEU  31          2HD1      LEU  31 -13.041   9.027  -1.810
  224   HD13  LEU  31          3HD1      LEU  31 -12.076  10.008  -0.706
  225   HD21  LEU  31          3HD2      LEU  31 -11.024   8.567  -3.077
  226   HD22  LEU  31          1HD2      LEU  31  -9.735   7.579  -2.383
  227   HD23  LEU  31          2HD2      LEU  31  -9.864   9.291  -1.962
  228    H    LEU  32           H        LEU  32  -9.093   7.481   2.900
  229    HA   LEU  32           HA       LEU  32  -7.192   5.646   1.933
  230    HB2  LEU  32           2HB      LEU  32  -6.668   7.722   3.124
  231    HB3  LEU  32           1HB      LEU  32  -7.418   7.087   4.578
  232    HG   LEU  32           HG       LEU  32  -5.719   5.297   4.605
  233   HD11  LEU  32          1HD1      LEU  32  -3.697   5.576   3.249
  234   HD12  LEU  32          2HD1      LEU  32  -4.465   6.923   2.407
  235   HD13  LEU  32          3HD1      LEU  32  -5.126   5.295   2.254
  236   HD21  LEU  32          3HD2      LEU  32  -5.467   7.275   5.995
  237   HD22  LEU  32          1HD2      LEU  32  -4.657   8.112   4.671
  238   HD23  LEU  32          2HD2      LEU  32  -3.895   6.711   5.424
  239    H    LEU  33           H        LEU  33  -9.500   5.659   4.550
  240    HA   LEU  33           HA       LEU  33  -8.763   3.153   5.646
  241    HB2  LEU  33           2HB      LEU  33 -10.010   5.004   6.799
  242    HB3  LEU  33           1HB      LEU  33 -11.422   4.549   5.868
  243    HG   LEU  33           HG       LEU  33 -11.413   2.336   6.909
  244   HD11  LEU  33          1HD1      LEU  33  -9.923   1.902   8.832
  245   HD12  LEU  33          2HD1      LEU  33  -9.060   3.399   8.474
  246   HD13  LEU  33          3HD1      LEU  33  -9.037   2.071   7.315
  247   HD21  LEU  33          3HD2      LEU  33 -12.058   3.038   9.165
  248   HD22  LEU  33          1HD2      LEU  33 -12.716   4.110   7.929
  249   HD23  LEU  33          2HD2      LEU  33 -11.318   4.612   8.879
  250    H    ASN  34           H        ASN  34 -11.297   4.157   3.330
  251    HA   ASN  34           HA       ASN  34 -12.395   1.516   3.227
  252    HB2  ASN  34           2HB      ASN  34 -13.959   2.309   1.620
  253    HB3  ASN  34           1HB      ASN  34 -13.756   3.578   2.811
  254   HD21  ASN  34          1HD2      ASN  34 -14.439   5.227   1.544
  255   HD22  ASN  34          2HD2      ASN  34 -13.599   5.779   0.139
  256    H    GLN  35           H        GLN  35  -9.923   3.186   1.446
  257    HA   GLN  35           HA       GLN  35  -9.870   1.334  -0.731
  258    HB2  GLN  35           2HB      GLN  35  -8.270   3.636   0.152
  259    HB3  GLN  35           1HB      GLN  35  -7.352   2.402  -0.701
  260    HG2  GLN  35           2HG      GLN  35  -8.129   3.114  -2.644
  261    HG3  GLN  35           1HG      GLN  35  -9.783   2.858  -2.110
  262   HE21  GLN  35          1HE2      GLN  35  -7.523   5.202  -0.726
  263   HE22  GLN  35          2HE2      GLN  35  -8.415   6.588  -1.225
  264    H    MET  36           H        MET  36  -7.983   1.737   2.246
  265    HA   MET  36           HA       MET  36  -6.458  -0.637   1.813
  266    HB2  MET  36           2HB      MET  36  -6.918   1.045   4.271
  267    HB3  MET  36           1HB      MET  36  -5.886  -0.380   4.260
  268    HG2  MET  36           2HG      MET  36  -5.519   2.103   2.611
  269    HG3  MET  36           1HG      MET  36  -4.555   1.606   4.000
  270    HE1  MET  36           3HE      MET  36  -2.832  -0.411   3.967
  271    HE2  MET  36           1HE      MET  36  -2.725  -1.567   2.640
  272    HE3  MET  36           2HE      MET  36  -4.197  -1.469   3.608
  273    H    GLY  37           H        GLY  37  -9.511   0.094   3.346
  274    HA2  GLY  37           2HA      GLY  37  -9.867  -2.458   4.571
  275    HA3  GLY  37           1HA      GLY  37 -11.135  -1.294   4.209
  276    H    LYS  38           H        LYS  38 -10.392  -1.173   1.390
  277    HA   LYS  38           HA       LYS  38 -11.958  -3.260   0.322
  278    HB2  LYS  38           2HB      LYS  38 -11.679  -1.079  -0.764
  279    HB3  LYS  38           1HB      LYS  38  -9.969  -1.420  -0.996
  280    HG2  LYS  38           2HG      LYS  38 -10.393  -3.017  -2.648
  281    HG3  LYS  38           1HG      LYS  38 -12.087  -3.183  -2.180
  282    HD2  LYS  38           2HD      LYS  38 -11.913  -1.931  -4.254
  283    HD3  LYS  38           1HD      LYS  38 -12.511  -0.888  -2.963
  284    HE2  LYS  38           2HE      LYS  38 -10.912   0.362  -4.196
  285    HE3  LYS  38           1HE      LYS  38 -10.159  -0.072  -2.663
  286    HZ1  LYS  38           3HZ      LYS  38  -9.008  -1.876  -3.787
  287    HZ2  LYS  38           1HZ      LYS  38  -8.648  -0.394  -4.514
  288    HZ3  LYS  38           2HZ      LYS  38  -9.732  -1.458  -5.253
  289    H    VAL  39           H        VAL  39  -8.444  -2.723   0.467
  290    HA   VAL  39           HA       VAL  39  -8.134  -5.584  -0.174
  291    HB   VAL  39           HB       VAL  39  -6.871  -4.276  -1.706
  292   HG11  VAL  39          1HG1      VAL  39  -5.572  -2.939   0.662
  293   HG12  VAL  39          2HG1      VAL  39  -6.712  -2.195  -0.459
  294   HG13  VAL  39          3HG1      VAL  39  -5.122  -2.705  -1.027
  295   HG21  VAL  39          3HG2      VAL  39  -5.122  -5.548   0.384
  296   HG22  VAL  39          1HG2      VAL  39  -4.539  -5.024  -1.195
  297   HG23  VAL  39          2HG2      VAL  39  -5.764  -6.286  -1.083
  298    H    ASN  40           H        ASN  40  -8.803  -6.135   1.970
  299    HA   ASN  40           HA       ASN  40  -6.629  -5.996   3.886
  300    HB2  ASN  40           2HB      ASN  40  -8.660  -4.095   3.983
  301    HB3  ASN  40           1HB      ASN  40  -9.096  -5.274   5.230
  302   HD21  ASN  40          1HD2      ASN  40  -5.885  -4.402   4.111
  303   HD22  ASN  40          2HD2      ASN  40  -5.328  -3.782   5.626
  304    H    ASP  41           H        ASP  41  -9.606  -7.380   2.796
  305    HA   ASP  41           HA       ASP  41  -9.754  -9.113   5.136
  306    HB2  ASP  41           2HB      ASP  41 -11.584  -8.750   2.763
  307    HB3  ASP  41           1HB      ASP  41 -11.825 -10.016   3.965
  308    H    THR  42           H        THR  42  -8.941  -9.264   1.743
  309    HA   THR  42           HA       THR  42  -7.723 -11.868   2.228
  310    HB   THR  42           HB       THR  42  -9.808 -12.545   1.303
  311    HG1  THR  42           1HG      THR  42  -7.764 -12.534  -0.681
  312   HG21  THR  42          3HG2      THR  42 -10.678 -11.709  -0.839
  313   HG22  THR  42          1HG2      THR  42  -9.359 -10.540  -0.905
  314   HG23  THR  42          2HG2      THR  42 -10.568 -10.433   0.371
  315    HA   PRO  43           HA       PRO  43  -5.172  -9.024  -0.400
  316    HB2  PRO  43           2HB      PRO  43  -3.496  -7.994   1.329
  317    HB3  PRO  43           1HB      PRO  43  -5.191  -7.483   1.370
  318    HG2  PRO  43           2HG      PRO  43  -3.779  -9.481   3.104
  319    HG3  PRO  43           1HG      PRO  43  -4.889  -8.188   3.582
  320    HD2  PRO  43           2HD      PRO  43  -5.590 -10.843   3.182
  321    HD3  PRO  43           1HD      PRO  43  -6.726  -9.481   3.155
  322    H    GLU  44           H        GLU  44  -4.804 -11.930   0.873
  323    HA   GLU  44           HA       GLU  44  -3.427 -13.650   0.380
  324    HB2  GLU  44           2HB      GLU  44  -2.997 -12.381  -1.753
  325    HB3  GLU  44           1HB      GLU  44  -1.570 -11.704  -0.981
  326    HG2  GLU  44           2HG      GLU  44  -1.044 -13.600  -2.441
  327    HG3  GLU  44           1HG      GLU  44  -0.597 -13.900  -0.764
  328    H    GLU  45           H        GLU  45  -1.774 -10.736   1.574
  329    HA   GLU  45           HA       GLU  45   0.158 -12.383   2.973
  330    HB2  GLU  45           2HB      GLU  45   0.879 -10.218   2.061
  331    HB3  GLU  45           1HB      GLU  45  -0.243  -9.383   3.127
  332    HG2  GLU  45           2HG      GLU  45   1.014 -10.590   5.027
  333    HG3  GLU  45           1HG      GLU  45   2.250 -10.901   3.819
  334    H    GLU  46           H        GLU  46  -0.990  -9.686   4.829
  335    HA   GLU  46           HA       GLU  46  -2.113 -11.578   6.765
  336    HB2  GLU  46           2HB      GLU  46  -1.157  -8.732   7.132
  337    HB3  GLU  46           1HB      GLU  46  -1.875  -9.709   8.402
  338    HG2  GLU  46           2HG      GLU  46   0.684 -10.322   6.947
  339    HG3  GLU  46           1HG      GLU  46   0.551  -9.643   8.564
  340    H    GLY  47           H        GLY  47  -2.814  -8.158   6.702
  341    HA2  GLY  47           2HA      GLY  47  -5.172  -7.954   5.370
  342    HA3  GLY  47           1HA      GLY  47  -5.627  -8.670   6.903
  343    H    MET  48           H        MET  48  -6.094  -7.327   8.501
  344    HA   MET  48           HA       MET  48  -6.019  -4.572   8.240
  345    HB2  MET  48           2HB      MET  48  -7.589  -5.606   9.710
  346    HB3  MET  48           1HB      MET  48  -6.307  -6.342  10.655
  347    HG2  MET  48           2HG      MET  48  -6.505  -3.373  10.452
  348    HG3  MET  48           1HG      MET  48  -7.532  -4.268  11.571
  349    HE1  MET  48           3HE      MET  48  -4.507  -2.501  13.541
  350    HE2  MET  48           1HE      MET  48  -6.250  -2.455  13.268
  351    HE3  MET  48           2HE      MET  48  -5.143  -1.981  11.981
  352    HA   PRO  49           HA       PRO  49  -1.950  -4.742  11.017
  353    HB2  PRO  49           2HB      PRO  49  -0.892  -7.283   9.878
  354    HB3  PRO  49           1HB      PRO  49  -0.732  -6.627  11.512
  355    HG2  PRO  49           2HG      PRO  49  -2.397  -8.635  11.052
  356    HG3  PRO  49           1HG      PRO  49  -2.865  -7.310  12.134
  357    HD2  PRO  49           2HD      PRO  49  -3.661  -7.813   9.292
  358    HD3  PRO  49           1HD      PRO  49  -4.651  -7.277  10.667
  359    H    LEU  50           H        LEU  50  -2.011  -6.332   7.819
  360    HA   LEU  50           HA       LEU  50   0.340  -5.123   6.900
  361    HB2  LEU  50           2HB      LEU  50  -0.014  -6.086   4.882
  362    HB3  LEU  50           1HB      LEU  50  -1.003  -7.106   5.896
  363    HG   LEU  50           HG       LEU  50  -2.988  -5.715   5.112
  364   HD11  LEU  50          1HD1      LEU  50  -2.738  -4.639   2.943
  365   HD12  LEU  50          2HD1      LEU  50  -1.001  -4.944   2.973
  366   HD13  LEU  50          3HD1      LEU  50  -1.721  -3.837   4.143
  367   HD21  LEU  50          3HD2      LEU  50  -1.409  -7.402   3.195
  368   HD22  LEU  50          1HD2      LEU  50  -3.131  -7.044   3.077
  369   HD23  LEU  50          2HD2      LEU  50  -2.517  -7.985   4.437
  370    H    ARG  51           H        ARG  51  -3.026  -4.080   6.693
  371    HA   ARG  51           HA       ARG  51  -2.661  -1.740   5.278
  372    HB2  ARG  51           2HB      ARG  51  -4.876  -2.092   5.671
  373    HB3  ARG  51           1HB      ARG  51  -4.619  -2.658   7.312
  374    HG2  ARG  51           2HG      ARG  51  -4.473  -0.456   8.146
  375    HG3  ARG  51           1HG      ARG  51  -4.318   0.224   6.528
  376    HD2  ARG  51           2HD      ARG  51  -6.557   0.559   7.549
  377    HD3  ARG  51           1HD      ARG  51  -6.594  -0.300   6.017
  378    HE   ARG  51           HE       ARG  51  -7.048  -2.331   7.221
  379   HH11  ARG  51          1HH1      ARG  51  -7.142   0.570   9.171
  380   HH12  ARG  51          2HH1      ARG  51  -8.269  -0.082  10.315
  381   HH21  ARG  51          1HH2      ARG  51  -8.547  -3.192   8.715
  382   HH22  ARG  51          2HH2      ARG  51  -9.067  -2.225  10.061
  383    H    ALA  52           H        ALA  52  -2.292  -2.283   8.753
  384    HA   ALA  52           HA       ALA  52  -1.623   0.318   9.472
  385    HB1  ALA  52           1HB      ALA  52  -0.661  -0.640  11.476
  386    HB2  ALA  52           2HB      ALA  52  -0.620  -2.234  10.722
  387    HB3  ALA  52           3HB      ALA  52  -2.167  -1.464  11.069
  388    H    TRP  53           H        TRP  53   0.577  -2.359   8.475
  389    HA   TRP  53           HA       TRP  53   2.853  -0.671   8.824
  390    HB2  TRP  53           2HB      TRP  53   4.229  -2.448   8.154
  391    HB3  TRP  53           1HB      TRP  53   2.894  -3.186   9.006
  392    HD1  TRP  53           HD       TRP  53   1.875  -5.228   7.905
  393    HE1  TRP  53           1HE      TRP  53   1.974  -6.323   5.561
  394    HE3  TRP  53           3HE      TRP  53   4.492  -1.620   5.408
  395    HZ2  TRP  53           2HZ      TRP  53   3.041  -5.746   3.041
  396    HZ3  TRP  53           3HZ      TRP  53   5.047  -1.987   3.046
  397    HH2  TRP  53           HH       TRP  53   4.329  -4.007   1.881
  398    H    VAL  54           H        VAL  54   0.940  -1.638   6.041
  399    HA   VAL  54           HA       VAL  54   2.565  -0.521   4.048
  400    HB   VAL  54           HB       VAL  54  -0.355  -1.121   4.224
  401   HG11  VAL  54          1HG1      VAL  54  -0.194   0.878   2.811
  402   HG12  VAL  54          2HG1      VAL  54  -0.621  -0.540   1.853
  403   HG13  VAL  54          3HG1      VAL  54   1.030   0.080   1.822
  404   HG21  VAL  54          3HG2      VAL  54   0.182  -2.759   2.486
  405   HG22  VAL  54          1HG2      VAL  54   1.155  -2.989   3.940
  406   HG23  VAL  54          2HG2      VAL  54   1.863  -2.223   2.518
  407    H    ILE  55           H        ILE  55  -0.256   0.868   5.743
  408    HA   ILE  55           HA       ILE  55  -0.141   3.396   4.583
  409    HB   ILE  55           HB       ILE  55  -1.141   2.528   7.286
  410   HG12  ILE  55          2HG1      ILE  55  -2.520   3.265   4.694
  411   HG13  ILE  55          1HG1      ILE  55  -2.347   1.645   5.361
  412   HG21  ILE  55          1HG2      ILE  55  -2.264   4.679   7.474
  413   HG22  ILE  55          2HG2      ILE  55  -1.475   5.234   5.993
  414   HG23  ILE  55          3HG2      ILE  55  -0.512   4.877   7.429
  415   HD11  ILE  55          3HD1      ILE  55  -3.752   2.280   7.247
  416   HD12  ILE  55          1HD1      ILE  55  -4.577   2.531   5.708
  417   HD13  ILE  55          2HD1      ILE  55  -3.906   3.908   6.583
  418    H    LYS  56           H        LYS  56   1.520   2.187   7.504
  419    HA   LYS  56           HA       LYS  56   2.735   4.639   8.182
  420    HB2  LYS  56           2HB      LYS  56   3.593   1.799   8.721
  421    HB3  LYS  56           1HB      LYS  56   4.433   3.200   9.371
  422    HG2  LYS  56           2HG      LYS  56   2.345   3.883  10.499
  423    HG3  LYS  56           1HG      LYS  56   1.584   2.400   9.912
  424    HD2  LYS  56           2HD      LYS  56   3.299   1.082  11.094
  425    HD3  LYS  56           1HD      LYS  56   3.992   2.579  11.722
  426    HE2  LYS  56           2HE      LYS  56   2.562   1.546  13.386
  427    HE3  LYS  56           1HE      LYS  56   1.869   3.074  12.846
  428    HZ1  LYS  56           3HZ      LYS  56   0.191   1.355  13.003
  429    HZ2  LYS  56           1HZ      LYS  56   1.047   0.377  11.921
  430    HZ3  LYS  56           2HZ      LYS  56   0.380   1.843  11.396
  431    H    CYS  57           H        CYS  57   3.980   1.899   6.275
  432    HA   CYS  57           HA       CYS  57   6.497   3.016   5.739
  433    HB2  CYS  57           2HB      CYS  57   4.897   1.009   4.139
  434    HB3  CYS  57           1HB      CYS  57   6.596   1.379   3.864
  435    HG   CYS  57           HG       CYS  57   5.280  -0.035   6.694
  436    H    ALA  58           H        ALA  58   3.481   3.110   3.850
  437    HA   ALA  58           HA       ALA  58   4.547   4.582   1.683
  438    HB1  ALA  58           1HB      ALA  58   1.695   4.461   2.648
  439    HB2  ALA  58           2HB      ALA  58   2.451   3.320   1.538
  440    HB3  ALA  58           3HB      ALA  58   2.233   5.003   1.059
  441    H    HIS  59           H        HIS  59   3.008   5.535   4.704
  442    HA   HIS  59           HA       HIS  59   2.740   8.278   4.258
  443    HB2  HIS  59           2HB      HIS  59   1.877   6.909   6.222
  444    HB3  HIS  59           1HB      HIS  59   3.502   6.983   6.887
  445    HD1  HIS  59           1HD      HIS  59   1.274   8.110   8.543
  446    HD2  HIS  59           2HD      HIS  59   3.386  10.389   5.789
  447    HE1  HIS  59           1HE      HIS  59   0.960  10.501   9.264
  448    HE2  HIS  59           2HE      HIS  59   2.370  11.847   7.672
  449    H    GLU  60           H        GLU  60   5.423   6.484   5.755
  450    HA   GLU  60           HA       GLU  60   7.089   8.762   6.026
  451    HB2  GLU  60           2HB      GLU  60   7.731   5.813   6.068
  452    HB3  GLU  60           1HB      GLU  60   8.876   7.081   6.485
  453    HG2  GLU  60           2HG      GLU  60   7.459   7.793   8.318
  454    HG3  GLU  60           1HG      GLU  60   6.264   6.572   7.888
  455    H    ALA  61           H        ALA  61   6.833   6.225   3.574
  456    HA   ALA  61           HA       ALA  61   9.103   6.867   2.075
  457    HB1  ALA  61           1HB      ALA  61   7.790   4.823   1.731
  458    HB2  ALA  61           2HB      ALA  61   8.035   5.704   0.224
  459    HB3  ALA  61           3HB      ALA  61   6.479   5.785   1.050
  460    H    LEU  62           H        LEU  62   5.806   8.157   1.913
  461    HA   LEU  62           HA       LEU  62   6.316   9.834  -0.327
  462    HB2  LEU  62           2HB      LEU  62   4.046   9.109   0.422
  463    HB3  LEU  62           1HB      LEU  62   4.207  10.185   1.797
  464    HG   LEU  62           HG       LEU  62   4.671  11.969  -0.118
  465   HD11  LEU  62          1HD1      LEU  62   3.312  11.581  -2.070
  466   HD12  LEU  62          2HD1      LEU  62   2.831   9.998  -1.458
  467   HD13  LEU  62          3HD1      LEU  62   4.511  10.294  -1.918
  468   HD21  LEU  62          3HD2      LEU  62   1.921  11.005   0.619
  469   HD22  LEU  62          1HD2      LEU  62   2.342  12.605   0.011
  470   HD23  LEU  62          2HD2      LEU  62   2.926  12.080   1.591
  471    H    GLU  63           H        GLU  63   6.317  10.375   3.177
  472    HA   GLU  63           HA       GLU  63   6.613  13.182   3.016
  473    HB2  GLU  63           2HB      GLU  63   7.024  11.164   5.202
  474    HB3  GLU  63           1HB      GLU  63   7.407  12.861   5.455
  475    HG2  GLU  63           2HG      GLU  63   4.721  12.009   4.448
  476    HG3  GLU  63           1HG      GLU  63   5.104  12.010   6.170
  477    H    LYS  64           H        LYS  64   8.993  10.580   3.073
  478    HA   LYS  64           HA       LYS  64  11.153  12.390   3.685
  479    HB2  LYS  64           2HB      LYS  64  11.264   9.519   2.758
  480    HB3  LYS  64           1HB      LYS  64  12.625  10.452   3.365
  481    HG2  LYS  64           2HG      LYS  64  10.210   9.500   4.877
  482    HG3  LYS  64           1HG      LYS  64  11.898   9.069   5.134
  483    HD2  LYS  64           2HD      LYS  64  10.683  11.795   5.586
  484    HD3  LYS  64           1HD      LYS  64  11.090  10.629   6.842
  485    HE2  LYS  64           2HE      LYS  64  13.432  10.793   6.305
  486    HE3  LYS  64           1HE      LYS  64  13.080  11.824   4.920
  487    HZ1  LYS  64           3HZ      LYS  64  12.546  12.528   7.756
  488    HZ2  LYS  64           1HZ      LYS  64  12.260  13.521   6.414
  489    HZ3  LYS  64           2HZ      LYS  64  13.843  13.099   6.831
  490    H    ASN  65           H        ASN  65   9.624  11.207   0.832
  491    HA   ASN  65           HA       ASN  65  11.306  13.025  -0.698
  492    HB2  ASN  65           2HB      ASN  65  11.306  11.357  -2.626
  493    HB3  ASN  65           1HB      ASN  65  12.388  11.008  -1.288
  494   HD21  ASN  65          1HD2      ASN  65   9.395  10.135  -2.842
  495   HD22  ASN  65          2HD2      ASN  65   9.275   8.546  -2.179
  496    HA   PRO  66           HA       PRO  66   6.713  13.337  -1.149
  497    HB2  PRO  66           2HB      PRO  66   6.393  15.889  -0.456
  498    HB3  PRO  66           1HB      PRO  66   6.750  14.660   0.759
  499    HG2  PRO  66           2HG      PRO  66   8.630  16.577  -0.584
  500    HG3  PRO  66           1HG      PRO  66   8.470  16.205   1.142
  501    HD2  PRO  66           2HD      PRO  66  10.360  15.064  -0.449
  502    HD3  PRO  66           1HD      PRO  66   9.659  14.244   0.962
  503    H    LYS  67           H        LYS  67   8.272  13.255  -3.394
  504    HA   LYS  67           HA       LYS  67   6.931  15.235  -5.080
  505    HB2  LYS  67           2HB      LYS  67   9.889  14.620  -5.224
  506    HB3  LYS  67           1HB      LYS  67   9.002  15.553  -6.418
  507    HG2  LYS  67           2HG      LYS  67   8.479  17.220  -4.686
  508    HG3  LYS  67           1HG      LYS  67   9.438  16.293  -3.534
  509    HD2  LYS  67           2HD      LYS  67  10.511  17.458  -6.103
  510    HD3  LYS  67           1HD      LYS  67  10.634  18.240  -4.529
  511    HE2  LYS  67           2HE      LYS  67  12.684  17.199  -4.708
  512    HE3  LYS  67           1HE      LYS  67  11.753  16.012  -3.800
  513    HZ1  LYS  67           3HZ      LYS  67  11.393  14.777  -5.834
  514    HZ2  LYS  67           1HZ      LYS  67  13.047  15.001  -5.582
  515    HZ3  LYS  67           2HZ      LYS  67  12.231  15.935  -6.729
  516    H    ILE  68           H        ILE  68   6.568  12.414  -4.444
  517    HA   ILE  68           HA       ILE  68   7.243  11.159  -7.015
  518    HB   ILE  68           HB       ILE  68   6.840   8.992  -5.866
  519   HG12  ILE  68          2HG1      ILE  68   6.889  10.617  -3.315
  520   HG13  ILE  68          1HG1      ILE  68   5.412   9.998  -4.043
  521   HG21  ILE  68          1HG2      ILE  68   8.980  10.771  -4.722
  522   HG22  ILE  68          2HG2      ILE  68   9.082   9.800  -6.190
  523   HG23  ILE  68          3HG2      ILE  68   8.966   9.010  -4.618
  524   HD11  ILE  68          3HD1      ILE  68   6.195   8.581  -2.226
  525   HD12  ILE  68          1HD1      ILE  68   7.719   8.329  -3.076
  526   HD13  ILE  68          2HD1      ILE  68   6.216   7.723  -3.767
  527    H    ARG  69           H        ARG  69   5.559   9.074  -7.019
  528    HA   ARG  69           HA       ARG  69   2.886  10.295  -7.172
  529    HB2  ARG  69           2HB      ARG  69   3.700  10.481  -9.385
  530    HB3  ARG  69           1HB      ARG  69   4.434   8.889  -9.329
  531    HG2  ARG  69           2HG      ARG  69   2.177   7.888  -9.275
  532    HG3  ARG  69           1HG      ARG  69   1.497   9.508  -9.463
  533    HD2  ARG  69           2HD      ARG  69   2.437   9.766 -11.604
  534    HD3  ARG  69           1HD      ARG  69   3.513   8.387 -11.385
  535    HE   ARG  69           HE       ARG  69   1.143   7.199 -11.231
  536   HH11  ARG  69          1HH1      ARG  69   2.354   9.576 -13.501
  537   HH12  ARG  69          2HH1      ARG  69   1.382   9.008 -14.818
  538   HH21  ARG  69          1HH2      ARG  69  -0.151   6.455 -12.965
  539   HH22  ARG  69          2HH2      ARG  69  -0.049   7.235 -14.511
  540    H    GLU  70           H        GLU  70   4.829   7.341  -7.147
  541    HA   GLU  70           HA       GLU  70   2.868   5.955  -5.597
  542    HB2  GLU  70           2HB      GLU  70   2.502   4.155  -7.313
  543    HB3  GLU  70           1HB      GLU  70   1.752   5.706  -7.691
  544    HG2  GLU  70           2HG      GLU  70   3.735   6.209  -9.135
  545    HG3  GLU  70           1HG      GLU  70   4.272   4.549  -8.873
  546    H    VAL  71           H        VAL  71   3.590   3.835  -4.944
  547    HA   VAL  71           HA       VAL  71   6.410   3.250  -5.513
  548    HB   VAL  71           HB       VAL  71   6.769   2.679  -3.116
  549   HG11  VAL  71          1HG1      VAL  71   7.003   4.982  -2.301
  550   HG12  VAL  71          2HG1      VAL  71   6.007   5.546  -3.642
  551   HG13  VAL  71          3HG1      VAL  71   7.574   4.803  -3.959
  552   HG21  VAL  71          3HG2      VAL  71   4.109   4.043  -2.720
  553   HG22  VAL  71          1HG2      VAL  71   5.223   3.588  -1.431
  554   HG23  VAL  71          2HG2      VAL  71   4.471   2.341  -2.426
  555    H    TYR  72           H        TYR  72   6.991   1.038  -5.097
  556    HA   TYR  72           HA       TYR  72   4.657  -0.743  -5.002
  557    HB2  TYR  72           2HB      TYR  72   6.259  -2.439  -6.075
  558    HB3  TYR  72           1HB      TYR  72   5.653  -1.140  -7.091
  559    HD1  TYR  72           2HD      TYR  72   7.149   0.736  -7.715
  560    HD2  TYR  72           1HD      TYR  72   8.593  -2.662  -5.601
  561    HE1  TYR  72           2HE      TYR  72   9.447   1.336  -8.338
  562    HE2  TYR  72           1HE      TYR  72  10.897  -2.073  -6.220
  563    HH   TYR  72           HH       TYR  72  12.033  -0.787  -8.048
  564    H    LEU  73           H        LEU  73   4.436  -1.968  -3.306
  565    HA   LEU  73           HA       LEU  73   6.638  -2.002  -1.365
  566    HB2  LEU  73           2HB      LEU  73   3.710  -1.759  -1.164
  567    HB3  LEU  73           1HB      LEU  73   4.459  -2.778   0.049
  568    HG   LEU  73           HG       LEU  73   5.149   0.110  -0.483
  569   HD11  LEU  73          1HD1      LEU  73   2.977  -0.121   0.568
  570   HD12  LEU  73          2HD1      LEU  73   4.151   0.477   1.740
  571   HD13  LEU  73          3HD1      LEU  73   3.651  -1.214   1.777
  572   HD21  LEU  73          3HD2      LEU  73   7.118  -0.967   0.262
  573   HD22  LEU  73          1HD2      LEU  73   6.229  -1.931   1.442
  574   HD23  LEU  73          2HD2      LEU  73   6.420  -0.194   1.685
  575    H    LYS  74           H        LYS  74   7.434  -3.799  -0.571
  576    HA   LYS  74           HA       LYS  74   6.359  -6.359  -1.506
  577    HB2  LYS  74           2HB      LYS  74   8.743  -5.901  -1.966
  578    HB3  LYS  74           1HB      LYS  74   9.029  -5.682  -0.245
  579    HG2  LYS  74           2HG      LYS  74   9.785  -7.847  -0.768
  580    HG3  LYS  74           1HG      LYS  74   8.244  -8.058   0.062
  581    HD2  LYS  74           2HD      LYS  74   7.115  -8.391  -2.057
  582    HD3  LYS  74           1HD      LYS  74   8.619  -8.089  -2.931
  583    HE2  LYS  74           2HE      LYS  74   9.573 -10.039  -1.600
  584    HE3  LYS  74           1HE      LYS  74   7.901 -10.392  -1.150
  585    HZ1  LYS  74           3HZ      LYS  74   8.677 -11.653  -3.102
  586    HZ2  LYS  74           1HZ      LYS  74   8.898 -10.208  -3.945
  587    HZ3  LYS  74           2HZ      LYS  74   7.347 -10.676  -3.462
  588    HA   PRO  75           HA       PRO  75   4.327  -6.948   2.471
  589    HB2  PRO  75           2HB      PRO  75   4.967  -9.701   1.485
  590    HB3  PRO  75           1HB      PRO  75   3.498  -9.112   2.276
  591    HG2  PRO  75           2HG      PRO  75   3.577  -9.403  -0.360
  592    HG3  PRO  75           1HG      PRO  75   2.751  -8.019   0.374
  593    HD2  PRO  75           2HD      PRO  75   5.309  -8.110  -1.109
  594    HD3  PRO  75           1HD      PRO  75   4.171  -6.772  -0.894
  595    H    ARG  76           H        ARG  76   5.122  -7.094   4.455
  596    HA   ARG  76           HA       ARG  76   7.863  -7.508   4.978
  597    HB2  ARG  76           2HB      ARG  76   5.535  -7.636   6.897
  598    HB3  ARG  76           1HB      ARG  76   7.223  -7.498   7.356
  599    HG2  ARG  76           2HG      ARG  76   7.323  -5.329   6.175
  600    HG3  ARG  76           1HG      ARG  76   5.593  -5.460   5.860
  601    HD2  ARG  76           2HD      ARG  76   5.987  -4.058   7.800
  602    HD3  ARG  76           1HD      ARG  76   5.175  -5.548   8.279
  603    HE   ARG  76           HE       ARG  76   7.951  -5.897   8.539
  604   HH11  ARG  76          1HH1      ARG  76   5.323  -4.119  10.023
  605   HH12  ARG  76          2HH1      ARG  76   6.073  -4.052  11.583
  606   HH21  ARG  76          1HH2      ARG  76   8.945  -5.809  10.595
  607   HH22  ARG  76          2HH2      ARG  76   8.146  -5.005  11.906
  608    H    ALA  77           H        ALA  77   5.088  -9.598   4.887
  609    HA   ALA  77           HA       ALA  77   6.618 -11.912   5.718
  610    HB1  ALA  77           1HB      ALA  77   3.933 -11.774   4.345
  611    HB2  ALA  77           2HB      ALA  77   4.176 -11.811   6.089
  612    HB3  ALA  77           3HB      ALA  77   4.648 -13.194   5.103
  613    H    VAL  78           H        VAL  78   8.321 -11.192   4.172
  614    HA   VAL  78           HA       VAL  78   8.027 -11.094   1.407
  615    HB   VAL  78           HB       VAL  78  10.489 -12.042   2.874
  616   HG11  VAL  78          1HG1      VAL  78  10.192 -10.644   0.224
  617   HG12  VAL  78          2HG1      VAL  78  10.592 -12.343   0.457
  618   HG13  VAL  78          3HG1      VAL  78  11.713 -11.093   0.993
  619   HG21  VAL  78          3HG2      VAL  78   9.596  -9.224   2.279
  620   HG22  VAL  78          1HG2      VAL  78  11.170  -9.681   2.929
  621   HG23  VAL  78          2HG2      VAL  78   9.708  -9.972   3.872
  622    H    LYS  79           H        LYS  79   8.126 -13.806   3.509
  623    HA   LYS  79           HA       LYS  79   8.941 -15.842   1.761
  624    HB2  LYS  79           2HB      LYS  79   7.080 -15.934   4.141
  625    HB3  LYS  79           1HB      LYS  79   7.662 -17.362   3.302
  626    HG2  LYS  79           2HG      LYS  79   9.012 -17.126   5.211
  627    HG3  LYS  79           1HG      LYS  79  10.001 -16.587   3.854
  628    HD2  LYS  79           2HD      LYS  79   9.510 -14.261   4.415
  629    HD3  LYS  79           1HD      LYS  79   8.492 -14.789   5.755
  630    HE2  LYS  79           2HE      LYS  79  10.692 -14.101   6.542
  631    HE3  LYS  79           1HE      LYS  79  10.431 -15.819   6.822
  632    HZ1  LYS  79           3HZ      LYS  79  11.749 -16.301   4.854
  633    HZ2  LYS  79           1HZ      LYS  79  12.639 -15.391   5.963
  634    HZ3  LYS  79           2HZ      LYS  79  11.997 -14.652   4.587
  635    H    ASN  80           H        ASN  80   5.996 -14.066   2.022
  636    HA   ASN  80           HA       ASN  80   4.227 -15.875   0.745
  637    HB2  ASN  80           2HB      ASN  80   3.730 -13.720   2.090
  638    HB3  ASN  80           1HB      ASN  80   3.995 -12.881   0.566
  639   HD21  ASN  80          1HD2      ASN  80   1.842 -12.175   0.641
  640   HD22  ASN  80          2HD2      ASN  80   0.544 -13.237   0.217
  641    H    SER  81           H        SER  81   6.727 -13.822  -0.390
  642    HA   SER  81           HA       SER  81   7.848 -13.730  -2.305
  643    HB2  SER  81           2HB      SER  81   7.720 -15.628  -3.885
  644    HB3  SER  81           1HB      SER  81   7.917 -16.129  -2.209
  645    HG   SER  81           HG       SER  81   5.379 -16.134  -2.465
  646    H    SER  82           H        SER  82   5.142 -15.091  -4.116
  647    HA   SER  82           HA       SER  82   5.580 -13.004  -6.040
  648    HB2  SER  82           2HB      SER  82   3.572 -15.261  -6.121
  649    HB3  SER  82           1HB      SER  82   4.158 -14.315  -7.488
  650    HG   SER  82           HG       SER  82   6.230 -15.368  -6.126
  651    H    VAL  83           H        VAL  83   4.686 -11.639  -4.006
  652    HA   VAL  83           HA       VAL  83   2.062 -10.715  -4.897
  653    HB   VAL  83           HB       VAL  83   1.515 -12.111  -3.006
  654   HG11  VAL  83          1HG1      VAL  83   3.505 -12.406  -1.846
  655   HG12  VAL  83          2HG1      VAL  83   2.521 -11.448  -0.737
  656   HG13  VAL  83          3HG1      VAL  83   3.785 -10.675  -1.693
  657   HG21  VAL  83          3HG2      VAL  83   0.512 -10.471  -1.478
  658   HG22  VAL  83          1HG2      VAL  83   0.276 -10.022  -3.166
  659   HG23  VAL  83          2HG2      VAL  83   1.502  -9.203  -2.198
  660    H    GLN  84           H        GLN  84   1.974  -8.517  -5.005
  661    HA   GLN  84           HA       GLN  84   3.881  -6.954  -3.417
  662    HB2  GLN  84           2HB      GLN  84   3.432  -6.558  -6.380
  663    HB3  GLN  84           1HB      GLN  84   4.392  -5.512  -5.347
  664    HG2  GLN  84           2HG      GLN  84   5.908  -7.410  -4.904
  665    HG3  GLN  84           1HG      GLN  84   4.975  -8.377  -6.049
  666   HE21  GLN  84          1HE2      GLN  84   5.004  -7.811  -8.248
  667   HE22  GLN  84          2HE2      GLN  84   6.278  -6.839  -8.912
  668    H    PHE  85           H        PHE  85   3.149  -4.953  -2.796
  669    HA   PHE  85           HA       PHE  85   0.394  -4.289  -3.582
  670    HB2  PHE  85           2HB      PHE  85   1.986  -3.414  -1.166
  671    HB3  PHE  85           1HB      PHE  85   0.395  -2.794  -1.592
  672    HD1  PHE  85           1HD      PHE  85  -1.512  -4.497  -1.766
  673    HD2  PHE  85           2HD      PHE  85   2.189  -5.297   0.174
  674    HE1  PHE  85           1HE      PHE  85  -2.578  -6.311  -0.492
  675    HE2  PHE  85           2HE      PHE  85   1.131  -7.115   1.451
  676    HZ   PHE  85           HZ       PHE  85  -1.257  -7.622   1.121
  677    H    HIS  86           H        HIS  86   0.206  -2.743  -5.011
  678    HA   HIS  86           HA       HIS  86   2.458  -0.906  -5.429
  679    HB2  HIS  86           2HB      HIS  86   1.594  -2.212  -7.373
  680    HB3  HIS  86           1HB      HIS  86   0.039  -1.423  -7.176
  681    HD1  HIS  86           1HD      HIS  86   0.032  -0.234  -9.422
  682    HD2  HIS  86           2HD      HIS  86   3.407   0.607  -7.125
  683    HE1  HIS  86           1HE      HIS  86   1.204   1.647 -10.592
  684    HE2  HIS  86           2HE      HIS  86   3.292   2.070  -9.261
  685    H    VAL  87           H        VAL  87   2.247   0.808  -4.109
  686    HA   VAL  87           HA       VAL  87  -0.423   1.795  -3.475
  687    HB   VAL  87           HB       VAL  87   2.251   2.660  -2.351
  688   HG11  VAL  87          1HG1      VAL  87   0.568   4.399  -2.156
  689   HG12  VAL  87          2HG1      VAL  87   0.911   3.699  -0.575
  690   HG13  VAL  87          3HG1      VAL  87  -0.562   3.251  -1.435
  691   HG21  VAL  87          3HG2      VAL  87   1.614   1.360  -0.367
  692   HG22  VAL  87          1HG2      VAL  87   1.772   0.338  -1.795
  693   HG23  VAL  87          2HG2      VAL  87   0.172   0.792  -1.208
  694    H    ILE  88           H        ILE  88  -1.260   3.240  -4.743
  695    HA   ILE  88           HA       ILE  88   0.482   5.075  -6.229
  696    HB   ILE  88           HB       ILE  88  -2.374   4.211  -6.705
  697   HG12  ILE  88          2HG1      ILE  88   0.129   3.724  -8.334
  698   HG13  ILE  88          1HG1      ILE  88  -0.594   2.551  -7.238
  699   HG21  ILE  88          1HG2      ILE  88  -0.670   6.094  -8.326
  700   HG22  ILE  88          2HG2      ILE  88  -2.077   6.535  -7.358
  701   HG23  ILE  88          3HG2      ILE  88  -2.269   5.503  -8.775
  702   HD11  ILE  88          3HD1      ILE  88  -1.907   3.703  -9.687
  703   HD12  ILE  88          1HD1      ILE  88  -2.608   2.507  -8.600
  704   HD13  ILE  88          2HD1      ILE  88  -1.182   2.101  -9.554
  705    H    PHE  89           H        PHE  89   0.229   7.276  -6.051
  706    HA   PHE  89           HA       PHE  89  -1.427   8.105  -3.783
  707    HB2  PHE  89           2HB      PHE  89   1.022   9.316  -5.052
  708    HB3  PHE  89           1HB      PHE  89   0.058  10.145  -3.831
  709    HD1  PHE  89           1HD      PHE  89  -0.413   8.855  -1.670
  710    HD2  PHE  89           2HD      PHE  89   2.707   7.870  -4.386
  711    HE1  PHE  89           1HE      PHE  89   0.715   7.582   0.097
  712    HE2  PHE  89           2HE      PHE  89   3.848   6.600  -2.614
  713    HZ   PHE  89           HZ       PHE  89   2.830   6.456  -0.384
  714    H    ASP  90           H        ASP  90  -3.350   8.792  -4.416
  715    HA   ASP  90           HA       ASP  90  -3.706  10.155  -6.969
  716    HB2  ASP  90           2HB      ASP  90  -5.559   8.928  -4.958
  717    HB3  ASP  90           1HB      ASP  90  -6.182  10.130  -6.082
  718    H    GLU  91           H        GLU  91  -4.128  12.278  -7.192
  719    HA   GLU  91           HA       GLU  91  -4.070  13.923  -4.792
  720    HB2  GLU  91           2HB      GLU  91  -4.166  14.747  -7.700
  721    HB3  GLU  91           1HB      GLU  91  -3.864  15.808  -6.331
  722    HG2  GLU  91           2HG      GLU  91  -1.795  14.627  -5.853
  723    HG3  GLU  91           1HG      GLU  91  -2.101  13.525  -7.192
  724    H    GLU  92           H        GLU  92  -5.899  14.331  -3.810
  725    HA   GLU  92           HA       GLU  92  -8.393  14.392  -5.361
  726    HB2  GLU  92           2HB      GLU  92  -7.947  13.483  -2.508
  727    HB3  GLU  92           1HB      GLU  92  -9.510  13.578  -3.306
  728    HG2  GLU  92           2HG      GLU  92  -7.232  11.821  -4.195
  729    HG3  GLU  92           1HG      GLU  92  -8.591  11.289  -3.206
  Start of MODEL    2
    1    H1   GLY   1           1HT      GLY   1   6.990 -28.164 -20.107
    2    H2   GLY   1           2HT      GLY   1   7.318 -28.530 -21.725
    3    H3   GLY   1           3HT      GLY   1   6.703 -27.012 -21.308
    4    HA2  GLY   1           1HA      GLY   1   9.364 -28.073 -20.545
    5    HA3  GLY   1           2HA      GLY   1   9.059 -26.863 -21.785
    6    H    SER   2           H        SER   2  10.424 -25.416 -20.635
    7    HA   SER   2           HA       SER   2  10.690 -23.506 -19.449
    8    HB2  SER   2           2HB      SER   2   7.889 -24.016 -18.424
    9    HB3  SER   2           1HB      SER   2   8.809 -22.528 -18.197
   10    HG   SER   2           HG       SER   2   7.939 -23.658 -20.656
   11    H    ALA   3           H        ALA   3   9.043 -25.985 -17.462
   12    HA   ALA   3           HA       ALA   3   9.453 -26.771 -15.368
   13    HB1  ALA   3           1HB      ALA   3  11.760 -27.216 -14.780
   14    HB2  ALA   3           2HB      ALA   3  12.319 -26.091 -16.018
   15    HB3  ALA   3           3HB      ALA   3  11.493 -27.578 -16.484
   16    H    MET   4           H        MET   4   8.359 -24.474 -15.112
   17    HA   MET   4           HA       MET   4   9.917 -23.062 -13.062
   18    HB2  MET   4           2HB      MET   4   8.789 -20.951 -13.789
   19    HB3  MET   4           1HB      MET   4   9.899 -21.612 -14.977
   20    HG2  MET   4           2HG      MET   4   8.114 -20.999 -16.280
   21    HG3  MET   4           1HG      MET   4   7.778 -22.702 -15.990
   22    HE1  MET   4           3HE      MET   4   6.768 -19.007 -15.281
   23    HE2  MET   4           1HE      MET   4   7.301 -19.520 -13.681
   24    HE3  MET   4           2HE      MET   4   5.597 -19.172 -13.971
   25    H    GLY   5           H        GLY   5   8.747 -22.320 -11.279
   26    HA2  GLY   5           2HA      GLY   5   6.439 -23.878 -10.645
   27    HA3  GLY   5           1HA      GLY   5   7.167 -22.637  -9.636
   28    H    HIS   6           H        HIS   6   4.393 -23.423 -11.019
   29    HA   HIS   6           HA       HIS   6   3.677 -20.940 -12.288
   30    HB2  HIS   6           2HB      HIS   6   2.105 -23.402 -11.542
   31    HB3  HIS   6           1HB      HIS   6   1.337 -21.973 -12.221
   32    HD1  HIS   6           1HD      HIS   6   0.712 -22.752 -14.505
   33    HD2  HIS   6           2HD      HIS   6   4.659 -23.659 -13.560
   34    HE1  HIS   6           1HE      HIS   6   1.719 -23.686 -16.613
   35    HE2  HIS   6           2HE      HIS   6   4.103 -24.243 -16.017
   36    H    MET   7           H        MET   7   4.526 -19.935 -10.173
   37    HA   MET   7           HA       MET   7   2.270 -19.531  -8.328
   38    HB2  MET   7           2HB      MET   7   5.232 -19.044  -7.956
   39    HB3  MET   7           1HB      MET   7   4.004 -18.566  -6.793
   40    HG2  MET   7           2HG      MET   7   3.375 -20.878  -6.457
   41    HG3  MET   7           1HG      MET   7   4.529 -21.391  -7.687
   42    HE1  MET   7           3HE      MET   7   5.107 -18.552  -4.998
   43    HE2  MET   7           1HE      MET   7   5.770 -19.492  -3.661
   44    HE3  MET   7           2HE      MET   7   4.095 -19.728  -4.159
   45    HA   PRO   8           HA       PRO   8   2.175 -15.921 -11.118
   46    HB2  PRO   8           2HB      PRO   8  -0.419 -15.546  -9.735
   47    HB3  PRO   8           1HB      PRO   8  -0.068 -15.616 -11.464
   48    HG2  PRO   8           2HG      PRO   8  -1.278 -17.646 -10.230
   49    HG3  PRO   8           1HG      PRO   8  -0.079 -17.931 -11.507
   50    HD2  PRO   8           2HD      PRO   8   0.228 -18.141  -8.537
   51    HD3  PRO   8           1HD      PRO   8   0.863 -19.200  -9.816
   52    H    ALA   9           H        ALA   9   2.932 -13.954 -10.705
   53    HA   ALA   9           HA       ALA   9   3.152 -13.057  -7.954
   54    HB1  ALA   9           1HB      ALA   9   4.159 -11.818 -10.515
   55    HB2  ALA   9           2HB      ALA   9   5.086 -12.850  -9.428
   56    HB3  ALA   9           3HB      ALA   9   4.540 -11.262  -8.886
   57    H    VAL  10           H        VAL  10   1.462 -12.066  -7.099
   58    HA   VAL  10           HA       VAL  10  -0.385 -10.629  -8.854
   59    HB   VAL  10           HB       VAL  10  -0.715 -11.493  -5.978
   60   HG11  VAL  10          1HG1      VAL  10  -3.074 -10.892  -6.273
   61   HG12  VAL  10          2HG1      VAL  10  -2.707 -10.265  -7.880
   62   HG13  VAL  10          3HG1      VAL  10  -2.012  -9.494  -6.452
   63   HG21  VAL  10          3HG2      VAL  10  -2.287 -13.142  -6.879
   64   HG22  VAL  10          1HG2      VAL  10  -0.659 -13.382  -7.513
   65   HG23  VAL  10          2HG2      VAL  10  -1.893 -12.619  -8.515
   66    H    ASP  11           H        ASP  11  -0.168  -8.517  -9.045
   67    HA   ASP  11           HA       ASP  11   0.872  -7.011  -6.762
   68    HB2  ASP  11           2HB      ASP  11   1.218  -5.143  -8.308
   69    HB3  ASP  11           1HB      ASP  11   2.041  -6.587  -8.874
   70    H    VAL  12           H        VAL  12  -0.461  -6.070  -5.489
   71    HA   VAL  12           HA       VAL  12  -3.257  -5.732  -6.276
   72    HB   VAL  12           HB       VAL  12  -1.993  -5.442  -3.544
   73   HG11  VAL  12          1HG1      VAL  12  -4.275  -5.645  -2.703
   74   HG12  VAL  12          2HG1      VAL  12  -4.879  -5.695  -4.359
   75   HG13  VAL  12          3HG1      VAL  12  -4.091  -4.240  -3.749
   76   HG21  VAL  12          3HG2      VAL  12  -1.729  -7.716  -4.367
   77   HG22  VAL  12          1HG2      VAL  12  -3.451  -7.792  -4.746
   78   HG23  VAL  12          2HG2      VAL  12  -2.922  -7.661  -3.069
   79    H    GLU  13           H        GLU  13  -4.294  -3.725  -6.241
   80    HA   GLU  13           HA       GLU  13  -2.451  -1.493  -6.420
   81    HB2  GLU  13           2HB      GLU  13  -4.514  -0.297  -7.365
   82    HB3  GLU  13           1HB      GLU  13  -3.755  -1.530  -8.352
   83    HG2  GLU  13           2HG      GLU  13  -6.038  -1.895  -8.606
   84    HG3  GLU  13           1HG      GLU  13  -5.528  -3.117  -7.450
   85    H    ILE  14           H        ILE  14  -2.337   0.036  -4.972
   86    HA   ILE  14           HA       ILE  14  -4.617   0.379  -3.164
   87    HB   ILE  14           HB       ILE  14  -1.704   0.680  -2.380
   88   HG12  ILE  14          2HG1      ILE  14  -3.735  -1.466  -1.712
   89   HG13  ILE  14          1HG1      ILE  14  -2.229  -1.678  -2.595
   90   HG21  ILE  14          1HG2      ILE  14  -4.229   0.935  -0.757
   91   HG22  ILE  14          2HG2      ILE  14  -3.148   2.245  -1.231
   92   HG23  ILE  14          3HG2      ILE  14  -2.589   1.001  -0.114
   93   HD11  ILE  14          3HD1      ILE  14  -2.537  -1.022   0.329
   94   HD12  ILE  14          1HD1      ILE  14  -0.995  -1.091  -0.531
   95   HD13  ILE  14          2HD1      ILE  14  -1.983  -2.544  -0.373
   96    H    HIS  15           H        HIS  15  -5.271   2.492  -2.959
   97    HA   HIS  15           HA       HIS  15  -3.604   4.479  -4.340
   98    HB2  HIS  15           2HB      HIS  15  -6.612   4.210  -4.382
   99    HB3  HIS  15           1HB      HIS  15  -5.740   5.606  -5.007
  100    HD1  HIS  15           1HD      HIS  15  -6.918   2.280  -5.945
  101    HD2  HIS  15           2HD      HIS  15  -3.993   4.936  -7.247
  102    HE1  HIS  15           1HE      HIS  15  -6.266   1.494  -8.238
  103    HE2  HIS  15           2HE      HIS  15  -4.635   3.223  -9.074
  104    H    PHE  16           H        PHE  16  -3.030   6.161  -3.209
  105    HA   PHE  16           HA       PHE  16  -4.598   6.900  -0.826
  106    HB2  PHE  16           2HB      PHE  16  -1.593   6.737  -1.117
  107    HB3  PHE  16           1HB      PHE  16  -2.392   7.560   0.206
  108    HD1  PHE  16           2HD      PHE  16  -4.588   5.653   0.792
  109    HD2  PHE  16           1HD      PHE  16  -0.479   5.005  -0.082
  110    HE1  PHE  16           2HE      PHE  16  -4.652   3.560   2.073
  111    HE2  PHE  16           1HE      PHE  16  -0.532   2.906   1.198
  112    HZ   PHE  16           HZ       PHE  16  -2.621   2.181   2.278
  113    HA   PRO  17           HA       PRO  17  -4.571  10.752  -3.183
  114    HB2  PRO  17           2HB      PRO  17  -5.968  11.726  -0.761
  115    HB3  PRO  17           1HB      PRO  17  -6.453  11.818  -2.456
  116    HG2  PRO  17           2HG      PRO  17  -7.651  10.118  -0.802
  117    HG3  PRO  17           1HG      PRO  17  -7.291   9.653  -2.473
  118    HD2  PRO  17           2HD      PRO  17  -5.824   8.942   0.047
  119    HD3  PRO  17           1HD      PRO  17  -6.245   7.910  -1.340
  120    H    LEU  18           H        LEU  18  -2.984  12.051  -3.262
  121    HA   LEU  18           HA       LEU  18  -0.714  11.878  -1.820
  122    HB2  LEU  18           2HB      LEU  18  -1.059  12.921  -4.052
  123    HB3  LEU  18           1HB      LEU  18  -1.654  14.357  -3.250
  124    HG   LEU  18           HG       LEU  18   0.618  14.458  -2.088
  125   HD11  LEU  18          1HD1      LEU  18   2.450  13.357  -3.283
  126   HD12  LEU  18          2HD1      LEU  18   1.275  12.521  -4.299
  127   HD13  LEU  18          3HD1      LEU  18   1.336  12.192  -2.568
  128   HD21  LEU  18          3HD2      LEU  18   1.649  15.560  -4.017
  129   HD22  LEU  18          1HD2      LEU  18  -0.053  15.994  -3.852
  130   HD23  LEU  18          2HD2      LEU  18   0.446  14.825  -5.075
  131    H    LYS  19           H        LYS  19  -3.276  14.266  -1.199
  132    HA   LYS  19           HA       LYS  19  -1.582  15.764   0.574
  133    HB2  LYS  19           2HB      LYS  19  -4.539  16.011   0.011
  134    HB3  LYS  19           1HB      LYS  19  -3.600  17.143   0.975
  135    HG2  LYS  19           2HG      LYS  19  -3.111  16.522  -1.932
  136    HG3  LYS  19           1HG      LYS  19  -3.985  17.929  -1.322
  137    HD2  LYS  19           2HD      LYS  19  -1.994  18.732  -0.208
  138    HD3  LYS  19           1HD      LYS  19  -1.120  17.268  -0.662
  139    HE2  LYS  19           2HE      LYS  19  -0.589  19.220  -2.081
  140    HE3  LYS  19           1HE      LYS  19  -1.207  17.823  -2.955
  141    HZ1  LYS  19           3HZ      LYS  19  -3.328  18.859  -3.166
  142    HZ2  LYS  19           1HZ      LYS  19  -2.158  19.968  -3.682
  143    HZ3  LYS  19           2HZ      LYS  19  -2.868  20.146  -2.161
  144    H    ARG  20           H        ARG  20  -4.152  13.376   0.969
  145    HA   ARG  20           HA       ARG  20  -4.291  13.995   3.810
  146    HB2  ARG  20           2HB      ARG  20  -6.182  12.461   3.890
  147    HB3  ARG  20           1HB      ARG  20  -6.385  13.667   2.632
  148    HG2  ARG  20           2HG      ARG  20  -5.484  11.907   1.034
  149    HG3  ARG  20           1HG      ARG  20  -5.761  10.757   2.346
  150    HD2  ARG  20           2HD      ARG  20  -7.697  10.751   0.948
  151    HD3  ARG  20           1HD      ARG  20  -8.115  11.554   2.458
  152    HE   ARG  20           HE       ARG  20  -7.299  13.279   0.247
  153   HH11  ARG  20          1HH1      ARG  20  -9.905  11.896   2.150
  154   HH12  ARG  20          2HH1      ARG  20 -11.094  13.026   1.572
  155   HH21  ARG  20          1HH2      ARG  20  -8.858  14.783  -0.492
  156   HH22  ARG  20          2HH2      ARG  20 -10.496  14.680   0.096
  157    H    ILE  21           H        ILE  21  -2.935  11.559   1.722
  158    HA   ILE  21           HA       ILE  21  -2.428   9.664   3.805
  159    HB   ILE  21           HB       ILE  21  -2.391   8.985   1.456
  160   HG12  ILE  21          2HG1      ILE  21  -0.365   7.608   1.512
  161   HG13  ILE  21          1HG1      ILE  21   0.320   8.641   2.760
  162   HG21  ILE  21          1HG2      ILE  21  -0.324   9.549   0.103
  163   HG22  ILE  21          2HG2      ILE  21  -0.023  10.823   1.285
  164   HG23  ILE  21          3HG2      ILE  21  -1.500  10.846   0.322
  165   HD11  ILE  21          3HD1      ILE  21  -2.155   6.955   3.050
  166   HD12  ILE  21          1HD1      ILE  21  -1.410   7.944   4.308
  167   HD13  ILE  21          2HD1      ILE  21  -0.550   6.548   3.661
  168    H    ALA  22           H        ALA  22  -0.993  12.614   2.783
  169    HA   ALA  22           HA       ALA  22   1.524  12.196   4.129
  170    HB1  ALA  22           1HB      ALA  22   1.996  14.505   3.533
  171    HB2  ALA  22           2HB      ALA  22   0.323  14.735   3.022
  172    HB3  ALA  22           3HB      ALA  22   1.371  13.628   2.136
  173    H    ALA  23           H        ALA  23  -1.599  12.960   5.083
  174    HA   ALA  23           HA       ALA  23  -1.001  14.854   7.143
  175    HB1  ALA  23           1HB      ALA  23  -3.202  14.778   6.084
  176    HB2  ALA  23           2HB      ALA  23  -3.324  14.532   7.825
  177    HB3  ALA  23           3HB      ALA  23  -3.461  13.158   6.730
  178    H    GLU  24           H        GLU  24  -0.820  14.534   9.312
  179    HA   GLU  24           HA       GLU  24   0.321  12.054  10.130
  180    HB2  GLU  24           2HB      GLU  24  -0.398  14.524  11.714
  181    HB3  GLU  24           1HB      GLU  24   0.515  13.160  12.350
  182    HG2  GLU  24           2HG      GLU  24   2.270  13.552  10.710
  183    HG3  GLU  24           1HG      GLU  24   1.352  14.898  10.040
  184    H    GLY  25           H        GLY  25  -2.823  13.413  10.207
  185    HA2  GLY  25           2HA      GLY  25  -3.782  11.256  11.953
  186    HA3  GLY  25           1HA      GLY  25  -4.724  12.645  11.421
  187    H    TYR  26           H        TYR  26  -2.823  10.104   9.820
  188    HA   TYR  26           HA       TYR  26  -4.491  10.078   7.538
  189    HB2  TYR  26           2HB      TYR  26  -3.197   8.013   6.912
  190    HB3  TYR  26           1HB      TYR  26  -2.213   9.428   7.254
  191    HD1  TYR  26           1HD      TYR  26  -0.789   9.506   9.230
  192    HD2  TYR  26           2HD      TYR  26  -3.136   6.064   8.369
  193    HE1  TYR  26           1HE      TYR  26   0.547   8.201  10.826
  194    HE2  TYR  26           2HE      TYR  26  -1.808   4.753   9.968
  195    HH   TYR  26           HH       TYR  26   0.312   6.169  12.200
  196    H    ALA  27           H        ALA  27  -4.309   8.018  10.405
  197    HA   ALA  27           HA       ALA  27  -6.331   6.194   9.487
  198    HB1  ALA  27           1HB      ALA  27  -4.592   5.498  11.081
  199    HB2  ALA  27           2HB      ALA  27  -6.214   5.241  11.723
  200    HB3  ALA  27           3HB      ALA  27  -5.254   6.612  12.277
  201    H    GLU  28           H        GLU  28  -7.603   8.194   8.922
  202    HA   GLU  28           HA       GLU  28  -9.708   8.646  10.839
  203    HB2  GLU  28           2HB      GLU  28  -8.055  10.310  11.560
  204    HB3  GLU  28           1HB      GLU  28  -7.918  10.910   9.916
  205    HG2  GLU  28           2HG      GLU  28 -10.371  11.489  10.064
  206    HG3  GLU  28           1HG      GLU  28 -10.244  11.158  11.791
  207    H    ASP  29           H        ASP  29  -8.151   9.270   7.765
  208    HA   ASP  29           HA       ASP  29 -10.460  10.401   6.506
  209    HB2  ASP  29           2HB      ASP  29  -8.242  10.990   5.719
  210    HB3  ASP  29           1HB      ASP  29  -7.892   9.302   5.353
  211    H    GLU  30           H        GLU  30 -12.134   9.373   5.679
  212    HA   GLU  30           HA       GLU  30 -12.453   6.609   6.150
  213    HB2  GLU  30           2HB      GLU  30 -14.243   8.422   6.149
  214    HB3  GLU  30           1HB      GLU  30 -14.205   8.320   4.394
  215    HG2  GLU  30           2HG      GLU  30 -14.740   5.897   4.601
  216    HG3  GLU  30           1HG      GLU  30 -14.959   6.151   6.331
  217    H    LEU  31           H        LEU  31 -11.740   8.527   3.306
  218    HA   LEU  31           HA       LEU  31 -12.083   6.590   1.330
  219    HB2  LEU  31           2HB      LEU  31 -10.816   9.177   1.610
  220    HB3  LEU  31           1HB      LEU  31  -9.848   8.114   0.607
  221    HG   LEU  31           HG       LEU  31 -12.730   8.894   0.132
  222   HD11  LEU  31          1HD1      LEU  31 -10.198   9.585  -1.351
  223   HD12  LEU  31          2HD1      LEU  31 -11.147  10.678  -0.344
  224   HD13  LEU  31          3HD1      LEU  31 -11.834  10.034  -1.836
  225   HD21  LEU  31          3HD2      LEU  31 -12.416   6.640  -0.627
  226   HD22  LEU  31          1HD2      LEU  31 -10.899   7.070  -1.417
  227   HD23  LEU  31          2HD2      LEU  31 -12.424   7.707  -2.028
  228    H    LEU  32           H        LEU  32  -9.345   7.386   3.389
  229    HA   LEU  32           HA       LEU  32  -7.469   5.676   2.195
  230    HB2  LEU  32           2HB      LEU  32  -7.469   7.663   4.025
  231    HB3  LEU  32           1HB      LEU  32  -7.300   6.276   5.082
  232    HG   LEU  32           HG       LEU  32  -5.366   5.605   3.556
  233   HD11  LEU  32          1HD1      LEU  32  -4.252   7.445   2.406
  234   HD12  LEU  32          2HD1      LEU  32  -5.588   8.514   2.829
  235   HD13  LEU  32          3HD1      LEU  32  -5.860   7.152   1.743
  236   HD21  LEU  32          3HD2      LEU  32  -5.060   6.359   5.842
  237   HD22  LEU  32          1HD2      LEU  32  -5.139   8.038   5.307
  238   HD23  LEU  32          2HD2      LEU  32  -3.797   7.012   4.799
  239    H    LEU  33           H        LEU  33  -9.710   5.352   4.881
  240    HA   LEU  33           HA       LEU  33  -8.873   2.763   5.691
  241    HB2  LEU  33           2HB      LEU  33 -10.142   4.467   7.053
  242    HB3  LEU  33           1HB      LEU  33 -11.568   4.026   6.143
  243    HG   LEU  33           HG       LEU  33 -11.332   1.694   6.966
  244   HD11  LEU  33          1HD1      LEU  33  -9.162   2.882   8.689
  245   HD12  LEU  33          2HD1      LEU  33  -8.945   1.680   7.416
  246   HD13  LEU  33          3HD1      LEU  33  -9.850   1.269   8.873
  247   HD21  LEU  33          3HD2      LEU  33 -12.108   2.157   9.239
  248   HD22  LEU  33          1HD2      LEU  33 -12.842   3.253   8.068
  249   HD23  LEU  33          2HD2      LEU  33 -11.524   3.816   9.097
  250    H    ASN  34           H        ASN  34 -11.537   3.942   3.667
  251    HA   ASN  34           HA       ASN  34 -12.793   1.460   3.269
  252    HB2  ASN  34           2HB      ASN  34 -12.773   3.997   1.648
  253    HB3  ASN  34           1HB      ASN  34 -13.713   2.589   1.162
  254   HD21  ASN  34          1HD2      ASN  34 -14.575   5.268   1.961
  255   HD22  ASN  34          2HD2      ASN  34 -15.649   5.044   3.300
  256    H    GLN  35           H        GLN  35 -10.158   3.031   1.544
  257    HA   GLN  35           HA       GLN  35 -10.138   1.103  -0.577
  258    HB2  GLN  35           2HB      GLN  35  -8.143   3.196   0.281
  259    HB3  GLN  35           1HB      GLN  35  -7.895   2.143  -1.109
  260    HG2  GLN  35           2HG      GLN  35  -9.787   3.019  -2.223
  261    HG3  GLN  35           1HG      GLN  35 -10.313   3.897  -0.787
  262   HE21  GLN  35          1HE2      GLN  35  -9.162   5.739  -0.153
  263   HE22  GLN  35          2HE2      GLN  35  -8.176   6.617  -1.269
  264    H    MET  36           H        MET  36  -8.236   1.578   2.384
  265    HA   MET  36           HA       MET  36  -6.894  -0.957   1.942
  266    HB2  MET  36           2HB      MET  36  -6.700   1.122   4.097
  267    HB3  MET  36           1HB      MET  36  -5.965  -0.465   4.287
  268    HG2  MET  36           2HG      MET  36  -5.333   1.657   2.274
  269    HG3  MET  36           1HG      MET  36  -4.266   0.914   3.463
  270    HE1  MET  36           3HE      MET  36  -5.016  -2.131   3.198
  271    HE2  MET  36           1HE      MET  36  -3.309  -1.687   3.176
  272    HE3  MET  36           2HE      MET  36  -3.959  -2.749   1.928
  273    H    GLY  37           H        GLY  37  -9.897  -0.274   2.775
  274    HA2  GLY  37           2HA      GLY  37 -10.126  -2.668   4.467
  275    HA3  GLY  37           1HA      GLY  37 -11.425  -1.532   4.105
  276    H    LYS  38           H        LYS  38 -10.698  -1.368   1.319
  277    HA   LYS  38           HA       LYS  38 -12.111  -3.471   0.122
  278    HB2  LYS  38           2HB      LYS  38 -11.847  -1.334  -0.977
  279    HB3  LYS  38           1HB      LYS  38 -10.099  -1.502  -0.975
  280    HG2  LYS  38           2HG      LYS  38 -10.344  -3.450  -2.495
  281    HG3  LYS  38           1HG      LYS  38 -12.074  -3.103  -2.580
  282    HD2  LYS  38           2HD      LYS  38 -11.594  -0.886  -3.480
  283    HD3  LYS  38           1HD      LYS  38  -9.862  -1.201  -3.361
  284    HE2  LYS  38           2HE      LYS  38 -11.804  -2.774  -5.044
  285    HE3  LYS  38           1HE      LYS  38 -10.739  -1.506  -5.646
  286    HZ1  LYS  38           3HZ      LYS  38  -9.732  -3.919  -4.261
  287    HZ2  LYS  38           1HZ      LYS  38  -8.844  -2.802  -5.175
  288    HZ3  LYS  38           2HZ      LYS  38  -9.941  -3.850  -5.934
  289    H    VAL  39           H        VAL  39  -8.627  -2.762  -0.108
  290    HA   VAL  39           HA       VAL  39  -8.123  -5.591  -0.669
  291    HB   VAL  39           HB       VAL  39  -5.778  -4.810  -1.159
  292   HG11  VAL  39          1HG1      VAL  39  -8.019  -3.534  -2.725
  293   HG12  VAL  39          2HG1      VAL  39  -7.410  -5.176  -2.928
  294   HG13  VAL  39          3HG1      VAL  39  -6.380  -3.799  -3.315
  295   HG21  VAL  39          3HG2      VAL  39  -5.741  -2.753   0.137
  296   HG22  VAL  39          1HG2      VAL  39  -7.041  -2.081  -0.851
  297   HG23  VAL  39          2HG2      VAL  39  -5.461  -2.395  -1.568
  298    H    ASN  40           H        ASN  40  -8.662  -6.191   1.510
  299    HA   ASN  40           HA       ASN  40  -6.601  -5.654   3.500
  300    HB2  ASN  40           2HB      ASN  40  -8.055  -3.787   3.744
  301    HB3  ASN  40           1HB      ASN  40  -9.485  -4.806   3.706
  302   HD21  ASN  40          1HD2      ASN  40  -6.504  -5.271   5.536
  303   HD22  ASN  40          2HD2      ASN  40  -7.250  -5.184   7.091
  304    H    ASP  41           H        ASP  41  -9.698  -7.209   2.759
  305    HA   ASP  41           HA       ASP  41  -9.582  -8.827   5.124
  306    HB2  ASP  41           2HB      ASP  41 -11.713  -8.032   4.038
  307    HB3  ASP  41           1HB      ASP  41 -11.405  -9.173   2.733
  308    H    THR  42           H        THR  42  -9.029  -9.348   1.675
  309    HA   THR  42           HA       THR  42  -7.632 -11.844   2.376
  310    HB   THR  42           HB       THR  42  -8.272 -12.645   0.039
  311    HG1  THR  42           1HG      THR  42  -9.057 -10.629  -0.743
  312   HG21  THR  42          3HG2      THR  42 -10.469 -13.472   0.773
  313   HG22  THR  42          1HG2      THR  42 -10.458 -12.304   2.097
  314   HG23  THR  42          2HG2      THR  42  -9.262 -13.600   2.052
  315    HA   PRO  43           HA       PRO  43  -4.839  -9.122  -0.088
  316    HB2  PRO  43           2HB      PRO  43  -3.295  -8.112   1.812
  317    HB3  PRO  43           1HB      PRO  43  -4.951  -7.529   1.611
  318    HG2  PRO  43           2HG      PRO  43  -3.814  -9.311   3.696
  319    HG3  PRO  43           1HG      PRO  43  -5.161  -8.167   3.806
  320    HD2  PRO  43           2HD      PRO  43  -5.286 -10.997   3.367
  321    HD3  PRO  43           1HD      PRO  43  -6.636  -9.845   3.419
  322    H    GLU  44           H        GLU  44  -4.651 -12.035   0.872
  323    HA   GLU  44           HA       GLU  44  -3.228 -13.745   0.496
  324    HB2  GLU  44           2HB      GLU  44  -2.354 -12.171  -1.334
  325    HB3  GLU  44           1HB      GLU  44  -1.039 -11.813  -0.224
  326    HG2  GLU  44           2HG      GLU  44  -0.304 -13.494  -1.743
  327    HG3  GLU  44           1HG      GLU  44  -0.510 -14.238  -0.158
  328    H    GLU  45           H        GLU  45  -1.781 -11.021   2.247
  329    HA   GLU  45           HA       GLU  45  -0.183 -12.801   3.889
  330    HB2  GLU  45           2HB      GLU  45  -0.628  -9.837   3.883
  331    HB3  GLU  45           1HB      GLU  45   0.160 -10.624   5.234
  332    HG2  GLU  45           2HG      GLU  45   1.845 -11.498   3.600
  333    HG3  GLU  45           1HG      GLU  45   1.108 -10.429   2.399
  334    H    GLU  46           H        GLU  46  -2.099 -10.143   5.145
  335    HA   GLU  46           HA       GLU  46  -3.386 -11.976   7.040
  336    HB2  GLU  46           2HB      GLU  46  -1.906  -9.436   7.745
  337    HB3  GLU  46           1HB      GLU  46  -2.841 -10.411   8.871
  338    HG2  GLU  46           2HG      GLU  46  -1.307 -12.265   8.569
  339    HG3  GLU  46           1HG      GLU  46  -0.396 -11.337   7.377
  340    H    GLY  47           H        GLY  47  -3.285  -8.467   7.193
  341    HA2  GLY  47           2HA      GLY  47  -5.383  -7.625   5.731
  342    HA3  GLY  47           1HA      GLY  47  -6.170  -8.368   7.111
  343    H    MET  48           H        MET  48  -5.541  -7.533   9.261
  344    HA   MET  48           HA       MET  48  -5.890  -4.769   9.276
  345    HB2  MET  48           2HB      MET  48  -6.808  -6.092  11.054
  346    HB3  MET  48           1HB      MET  48  -5.211  -6.637  11.532
  347    HG2  MET  48           2HG      MET  48  -6.100  -4.924  13.020
  348    HG3  MET  48           1HG      MET  48  -4.597  -4.440  12.239
  349    HE1  MET  48           3HE      MET  48  -5.850  -0.964  12.109
  350    HE2  MET  48           1HE      MET  48  -4.476  -2.070  12.173
  351    HE3  MET  48           2HE      MET  48  -5.699  -2.109  13.442
  352    HA   PRO  49           HA       PRO  49  -1.259  -4.366  10.566
  353    HB2  PRO  49           2HB      PRO  49  -0.064  -6.842   9.518
  354    HB3  PRO  49           1HB      PRO  49   0.165  -6.073  11.093
  355    HG2  PRO  49           2HG      PRO  49  -1.203  -8.360  10.861
  356    HG3  PRO  49           1HG      PRO  49  -1.686  -7.102  12.012
  357    HD2  PRO  49           2HD      PRO  49  -2.813  -7.700   9.297
  358    HD3  PRO  49           1HD      PRO  49  -3.660  -7.404  10.820
  359    H    LEU  50           H        LEU  50  -2.424  -6.065   7.802
  360    HA   LEU  50           HA       LEU  50  -0.511  -5.413   5.877
  361    HB2  LEU  50           2HB      LEU  50  -3.336  -6.269   5.919
  362    HB3  LEU  50           1HB      LEU  50  -2.792  -5.497   4.446
  363    HG   LEU  50           HG       LEU  50  -2.643  -8.129   4.859
  364   HD11  LEU  50          1HD1      LEU  50  -0.541  -6.535   3.400
  365   HD12  LEU  50          2HD1      LEU  50  -2.177  -6.809   2.806
  366   HD13  LEU  50          3HD1      LEU  50  -1.079  -8.173   3.029
  367   HD21  LEU  50          3HD2      LEU  50  -1.049  -7.696   6.785
  368   HD22  LEU  50          1HD2      LEU  50   0.130  -7.202   5.573
  369   HD23  LEU  50          2HD2      LEU  50  -0.506  -8.844   5.566
  370    H    ARG  51           H        ARG  51  -3.540  -3.747   6.710
  371    HA   ARG  51           HA       ARG  51  -2.892  -1.553   5.023
  372    HB2  ARG  51           2HB      ARG  51  -4.809  -0.405   6.103
  373    HB3  ARG  51           1HB      ARG  51  -5.195  -1.961   5.401
  374    HG2  ARG  51           2HG      ARG  51  -5.142  -2.971   7.636
  375    HG3  ARG  51           1HG      ARG  51  -4.809  -1.377   8.324
  376    HD2  ARG  51           2HD      ARG  51  -6.906  -0.532   7.417
  377    HD3  ARG  51           1HD      ARG  51  -7.234  -2.102   6.686
  378    HE   ARG  51           HE       ARG  51  -6.855  -2.344   9.490
  379   HH11  ARG  51          1HH1      ARG  51  -9.170  -1.327   7.072
  380   HH12  ARG  51          2HH1      ARG  51 -10.548  -1.595   8.089
  381   HH21  ARG  51          1HH2      ARG  51  -8.667  -2.716  10.832
  382   HH22  ARG  51          2HH2      ARG  51 -10.259  -2.383  10.233
  383    H    ALA  52           H        ALA  52  -2.563  -2.191   8.471
  384    HA   ALA  52           HA       ALA  52  -1.766   0.355   9.267
  385    HB1  ALA  52           1HB      ALA  52  -0.756  -0.711  11.189
  386    HB2  ALA  52           2HB      ALA  52  -0.784  -2.272  10.372
  387    HB3  ALA  52           3HB      ALA  52  -2.297  -1.482  10.817
  388    H    TRP  53           H        TRP  53   0.246  -2.361   8.074
  389    HA   TRP  53           HA       TRP  53   2.640  -0.847   8.384
  390    HB2  TRP  53           2HB      TRP  53   3.814  -2.726   7.784
  391    HB3  TRP  53           1HB      TRP  53   2.319  -3.448   8.329
  392    HD1  TRP  53           HD       TRP  53   1.168  -5.094   6.720
  393    HE1  TRP  53           1HE      TRP  53   1.588  -5.878   4.289
  394    HE3  TRP  53           3HE      TRP  53   4.732  -1.689   5.386
  395    HZ2  TRP  53           2HZ      TRP  53   3.215  -5.121   2.115
  396    HZ3  TRP  53           3HZ      TRP  53   5.680  -1.795   3.124
  397    HH2  TRP  53           HH       TRP  53   4.936  -3.479   1.522
  398    H    VAL  54           H        VAL  54   0.548  -1.597   5.628
  399    HA   VAL  54           HA       VAL  54   2.356  -0.512   3.729
  400    HB   VAL  54           HB       VAL  54   0.319  -2.165   3.469
  401   HG11  VAL  54          1HG1      VAL  54  -0.901   0.477   2.709
  402   HG12  VAL  54          2HG1      VAL  54  -1.433  -0.599   4.000
  403   HG13  VAL  54          3HG1      VAL  54  -1.570  -1.106   2.317
  404   HG21  VAL  54          3HG2      VAL  54   0.394  -1.767   1.047
  405   HG22  VAL  54          1HG2      VAL  54   1.998  -1.739   1.777
  406   HG23  VAL  54          2HG2      VAL  54   1.203  -0.227   1.335
  407    H    ILE  55           H        ILE  55  -0.502   0.816   5.378
  408    HA   ILE  55           HA       ILE  55  -0.483   3.307   4.039
  409    HB   ILE  55           HB       ILE  55  -1.538   2.547   6.764
  410   HG12  ILE  55          2HG1      ILE  55  -2.961   3.016   4.137
  411   HG13  ILE  55          1HG1      ILE  55  -2.592   1.437   4.824
  412   HG21  ILE  55          1HG2      ILE  55  -1.096   4.936   6.714
  413   HG22  ILE  55          2HG2      ILE  55  -2.829   4.614   6.707
  414   HG23  ILE  55          3HG2      ILE  55  -2.015   5.091   5.217
  415   HD11  ILE  55          3HD1      ILE  55  -4.033   1.926   6.725
  416   HD12  ILE  55          1HD1      ILE  55  -4.909   2.070   5.201
  417   HD13  ILE  55          2HD1      ILE  55  -4.383   3.520   6.056
  418    H    LYS  56           H        LYS  56   0.980   2.216   7.082
  419    HA   LYS  56           HA       LYS  56   1.988   4.725   7.866
  420    HB2  LYS  56           2HB      LYS  56   1.702   2.700   9.315
  421    HB3  LYS  56           1HB      LYS  56   3.128   2.016   8.553
  422    HG2  LYS  56           2HG      LYS  56   4.500   3.800   9.420
  423    HG3  LYS  56           1HG      LYS  56   3.079   4.598  10.098
  424    HD2  LYS  56           2HD      LYS  56   4.079   1.858  10.872
  425    HD3  LYS  56           1HD      LYS  56   4.341   3.337  11.796
  426    HE2  LYS  56           2HE      LYS  56   1.936   3.585  12.110
  427    HE3  LYS  56           1HE      LYS  56   1.647   2.145  11.135
  428    HZ1  LYS  56           3HZ      LYS  56   1.538   1.670  13.503
  429    HZ2  LYS  56           1HZ      LYS  56   3.131   2.202  13.702
  430    HZ3  LYS  56           2HZ      LYS  56   2.807   0.828  12.773
  431    H    CYS  57           H        CYS  57   3.537   2.030   6.118
  432    HA   CYS  57           HA       CYS  57   6.066   3.272   5.911
  433    HB2  CYS  57           2HB      CYS  57   4.817   1.123   4.192
  434    HB3  CYS  57           1HB      CYS  57   6.515   1.583   4.149
  435    HG   CYS  57           HG       CYS  57   4.830  -0.191   6.481
  436    H    ALA  58           H        ALA  58   3.280   3.187   3.697
  437    HA   ALA  58           HA       ALA  58   4.493   4.610   1.589
  438    HB1  ALA  58           1HB      ALA  58   2.406   3.381   1.299
  439    HB2  ALA  58           2HB      ALA  58   2.211   5.069   0.825
  440    HB3  ALA  58           3HB      ALA  58   1.582   4.508   2.375
  441    H    HIS  59           H        HIS  59   2.716   5.651   4.445
  442    HA   HIS  59           HA       HIS  59   2.584   8.394   3.907
  443    HB2  HIS  59           2HB      HIS  59   1.318   7.311   5.710
  444    HB3  HIS  59           1HB      HIS  59   2.812   6.960   6.565
  445    HD1  HIS  59           1HD      HIS  59   1.835   8.312   8.587
  446    HD2  HIS  59           2HD      HIS  59   2.521  10.534   5.155
  447    HE1  HIS  59           1HE      HIS  59   1.671  10.713   9.295
  448    HE2  HIS  59           2HE      HIS  59   2.423  12.010   7.275
  449    H    GLU  60           H        GLU  60   4.991   6.557   5.775
  450    HA   GLU  60           HA       GLU  60   6.653   8.733   6.381
  451    HB2  GLU  60           2HB      GLU  60   7.380   5.815   6.095
  452    HB3  GLU  60           1HB      GLU  60   8.364   7.037   6.887
  453    HG2  GLU  60           2HG      GLU  60   5.628   6.135   7.757
  454    HG3  GLU  60           1HG      GLU  60   7.160   5.686   8.505
  455    H    ALA  61           H        ALA  61   6.689   6.440   3.696
  456    HA   ALA  61           HA       ALA  61   9.094   7.298   2.510
  457    HB1  ALA  61           1HB      ALA  61   6.700   6.039   1.176
  458    HB2  ALA  61           2HB      ALA  61   8.009   5.166   1.970
  459    HB3  ALA  61           3HB      ALA  61   8.336   6.118   0.522
  460    H    LEU  62           H        LEU  62   5.727   8.281   1.987
  461    HA   LEU  62           HA       LEU  62   6.220   9.927  -0.239
  462    HB2  LEU  62           2HB      LEU  62   3.986   9.144   0.357
  463    HB3  LEU  62           1HB      LEU  62   4.014  10.138   1.804
  464    HG   LEU  62           HG       LEU  62   4.437  12.073   0.051
  465   HD11  LEU  62          1HD1      LEU  62   4.548  10.470  -1.841
  466   HD12  LEU  62          2HD1      LEU  62   3.335  11.733  -2.036
  467   HD13  LEU  62          3HD1      LEU  62   2.842  10.105  -1.568
  468   HD21  LEU  62          3HD2      LEU  62   2.052  12.500   0.014
  469   HD22  LEU  62          1HD2      LEU  62   2.561  11.936   1.604
  470   HD23  LEU  62          2HD2      LEU  62   1.734  10.837   0.502
  471    H    GLU  63           H        GLU  63   5.994  10.739   3.236
  472    HA   GLU  63           HA       GLU  63   6.408  13.521   2.750
  473    HB2  GLU  63           2HB      GLU  63   6.622  11.893   5.282
  474    HB3  GLU  63           1HB      GLU  63   6.834  13.637   5.230
  475    HG2  GLU  63           2HG      GLU  63   4.519  13.711   4.162
  476    HG3  GLU  63           1HG      GLU  63   4.354  12.039   4.697
  477    H    LYS  64           H        LYS  64   8.531  10.811   3.223
  478    HA   LYS  64           HA       LYS  64  10.881  12.253   3.857
  479    HB2  LYS  64           2HB      LYS  64  10.723   9.832   4.194
  480    HB3  LYS  64           1HB      LYS  64  10.554   9.586   2.464
  481    HG2  LYS  64           2HG      LYS  64  12.801   9.051   3.216
  482    HG3  LYS  64           1HG      LYS  64  12.812  10.421   2.107
  483    HD2  LYS  64           2HD      LYS  64  14.318  10.860   3.941
  484    HD3  LYS  64           1HD      LYS  64  12.934  11.946   4.050
  485    HE2  LYS  64           2HE      LYS  64  11.926  10.473   5.734
  486    HE3  LYS  64           1HE      LYS  64  13.325   9.407   5.630
  487    HZ1  LYS  64           3HZ      LYS  64  13.539  10.865   7.510
  488    HZ2  LYS  64           1HZ      LYS  64  13.332  12.232   6.535
  489    HZ3  LYS  64           2HZ      LYS  64  14.712  11.271   6.362
  490    H    ASN  65           H        ASN  65   9.394  11.274   0.822
  491    HA   ASN  65           HA       ASN  65  11.011  13.298  -0.528
  492    HB2  ASN  65           2HB      ASN  65  11.157  11.745  -2.537
  493    HB3  ASN  65           1HB      ASN  65  12.175  11.332  -1.165
  494   HD21  ASN  65          1HD2      ASN  65   9.384  10.458  -3.025
  495   HD22  ASN  65          2HD2      ASN  65   9.215   8.850  -2.422
  496    HA   PRO  66           HA       PRO  66   6.455  13.631  -1.261
  497    HB2  PRO  66           2HB      PRO  66   6.185  16.233  -0.676
  498    HB3  PRO  66           1HB      PRO  66   6.322  15.013   0.592
  499    HG2  PRO  66           2HG      PRO  66   8.443  16.815  -0.529
  500    HG3  PRO  66           1HG      PRO  66   8.070  16.453   1.168
  501    HD2  PRO  66           2HD      PRO  66  10.077  15.226  -0.190
  502    HD3  PRO  66           1HD      PRO  66   9.170  14.432   1.111
  503    H    LYS  67           H        LYS  67   7.986  13.329  -3.369
  504    HA   LYS  67           HA       LYS  67   7.328  15.579  -5.162
  505    HB2  LYS  67           2HB      LYS  67   9.803  13.877  -5.465
  506    HB3  LYS  67           1HB      LYS  67   9.424  15.387  -6.277
  507    HG2  LYS  67           2HG      LYS  67   9.938  15.167  -3.325
  508    HG3  LYS  67           1HG      LYS  67  11.182  15.539  -4.516
  509    HD2  LYS  67           2HD      LYS  67   9.906  17.524  -5.202
  510    HD3  LYS  67           1HD      LYS  67   8.690  17.153  -3.978
  511    HE2  LYS  67           2HE      LYS  67  10.307  18.872  -3.240
  512    HE3  LYS  67           1HE      LYS  67  10.309  17.439  -2.214
  513    HZ1  LYS  67           3HZ      LYS  67  12.290  16.665  -3.312
  514    HZ2  LYS  67           1HZ      LYS  67  12.550  18.231  -2.729
  515    HZ3  LYS  67           2HZ      LYS  67  12.270  17.978  -4.379
  516    H    ILE  68           H        ILE  68   6.867  12.435  -4.364
  517    HA   ILE  68           HA       ILE  68   7.064  11.283  -7.036
  518    HB   ILE  68           HB       ILE  68   6.562   9.139  -5.865
  519   HG12  ILE  68          2HG1      ILE  68   6.890  10.771  -3.333
  520   HG13  ILE  68          1HG1      ILE  68   5.339  10.229  -3.960
  521   HG21  ILE  68          1HG2      ILE  68   8.915  10.754  -4.910
  522   HG22  ILE  68          2HG2      ILE  68   8.834   9.729  -6.343
  523   HG23  ILE  68          3HG2      ILE  68   8.764   9.005  -4.735
  524   HD11  ILE  68          3HD1      ILE  68   7.604   8.442  -3.128
  525   HD12  ILE  68          1HD1      ILE  68   6.023   7.923  -3.702
  526   HD13  ILE  68          2HD1      ILE  68   6.163   8.795  -2.176
  527    H    ARG  69           H        ARG  69   5.293   9.380  -7.153
  528    HA   ARG  69           HA       ARG  69   2.657  10.457  -6.539
  529    HB2  ARG  69           2HB      ARG  69   1.829  10.093  -8.840
  530    HB3  ARG  69           1HB      ARG  69   3.029  11.370  -8.736
  531    HG2  ARG  69           2HG      ARG  69   3.945   8.632  -9.440
  532    HG3  ARG  69           1HG      ARG  69   3.080   9.575 -10.656
  533    HD2  ARG  69           2HD      ARG  69   4.689  11.366 -10.462
  534    HD3  ARG  69           1HD      ARG  69   5.513  10.525  -9.149
  535    HE   ARG  69           HE       ARG  69   5.624   8.744 -11.176
  536   HH11  ARG  69          1HH1      ARG  69   6.437  12.139 -10.974
  537   HH12  ARG  69          2HH1      ARG  69   7.745  12.022 -12.108
  538   HH21  ARG  69          1HH2      ARG  69   7.349   8.577 -12.660
  539   HH22  ARG  69          2HH2      ARG  69   8.274   9.992 -13.061
  540    H    GLU  70           H        GLU  70   4.745   7.805  -6.918
  541    HA   GLU  70           HA       GLU  70   2.822   6.167  -5.623
  542    HB2  GLU  70           2HB      GLU  70   2.784   4.342  -7.302
  543    HB3  GLU  70           1HB      GLU  70   1.974   5.810  -7.840
  544    HG2  GLU  70           2HG      GLU  70   4.019   6.398  -9.118
  545    HG3  GLU  70           1HG      GLU  70   4.709   4.843  -8.654
  546    H    VAL  71           H        VAL  71   3.717   4.258  -4.737
  547    HA   VAL  71           HA       VAL  71   6.610   3.899  -5.145
  548    HB   VAL  71           HB       VAL  71   6.802   3.183  -2.760
  549   HG11  VAL  71          1HG1      VAL  71   6.845   5.444  -1.817
  550   HG12  VAL  71          2HG1      VAL  71   5.930   6.029  -3.206
  551   HG13  VAL  71          3HG1      VAL  71   7.555   5.384  -3.430
  552   HG21  VAL  71          3HG2      VAL  71   4.501   2.683  -2.265
  553   HG22  VAL  71          1HG2      VAL  71   4.034   4.360  -2.550
  554   HG23  VAL  71          2HG2      VAL  71   5.065   3.952  -1.177
  555    H    TYR  72           H        TYR  72   7.378   1.750  -4.740
  556    HA   TYR  72           HA       TYR  72   5.278  -0.253  -5.202
  557    HB2  TYR  72           2HB      TYR  72   8.183  -0.296  -6.049
  558    HB3  TYR  72           1HB      TYR  72   7.014  -1.578  -6.353
  559    HD1  TYR  72           2HD      TYR  72   4.822  -0.802  -7.580
  560    HD2  TYR  72           1HD      TYR  72   8.516   1.304  -7.698
  561    HE1  TYR  72           2HE      TYR  72   4.104   0.329  -9.639
  562    HE2  TYR  72           1HE      TYR  72   7.803   2.444  -9.756
  563    HH   TYR  72           HH       TYR  72   4.704   2.617 -10.773
  564    H    LEU  73           H        LEU  73   4.894  -1.525  -3.587
  565    HA   LEU  73           HA       LEU  73   6.988  -1.941  -1.565
  566    HB2  LEU  73           2HB      LEU  73   4.142  -1.168  -1.341
  567    HB3  LEU  73           1HB      LEU  73   4.725  -2.326  -0.163
  568    HG   LEU  73           HG       LEU  73   5.945   0.391  -0.651
  569   HD11  LEU  73          1HD1      LEU  73   4.177  -0.588   1.589
  570   HD12  LEU  73          2HD1      LEU  73   3.716   0.563   0.335
  571   HD13  LEU  73          3HD1      LEU  73   4.963   0.987   1.507
  572   HD21  LEU  73          3HD2      LEU  73   7.622  -1.078   0.142
  573   HD22  LEU  73          1HD2      LEU  73   6.518  -1.833   1.291
  574   HD23  LEU  73          2HD2      LEU  73   7.061  -0.174   1.549
  575    H    LYS  74           H        LYS  74   7.248  -3.976  -0.733
  576    HA   LYS  74           HA       LYS  74   5.393  -6.007  -1.745
  577    HB2  LYS  74           2HB      LYS  74   7.716  -6.290  -2.620
  578    HB3  LYS  74           1HB      LYS  74   8.263  -6.514  -0.957
  579    HG2  LYS  74           2HG      LYS  74   6.672  -8.398  -0.743
  580    HG3  LYS  74           1HG      LYS  74   6.285  -8.216  -2.451
  581    HD2  LYS  74           2HD      LYS  74   8.612  -8.705  -3.022
  582    HD3  LYS  74           1HD      LYS  74   8.986  -8.897  -1.303
  583    HE2  LYS  74           2HE      LYS  74   7.354 -10.694  -1.133
  584    HE3  LYS  74           1HE      LYS  74   6.964 -10.508  -2.846
  585    HZ1  LYS  74           3HZ      LYS  74   9.255 -11.087  -3.397
  586    HZ2  LYS  74           1HZ      LYS  74   8.493 -12.334  -2.552
  587    HZ3  LYS  74           2HZ      LYS  74   9.605 -11.336  -1.763
  588    HA   PRO  75           HA       PRO  75   3.648  -6.983   2.200
  589    HB2  PRO  75           2HB      PRO  75   4.607  -9.549   0.970
  590    HB3  PRO  75           1HB      PRO  75   3.165  -9.280   1.966
  591    HG2  PRO  75           2HG      PRO  75   2.952  -9.223  -0.661
  592    HG3  PRO  75           1HG      PRO  75   2.105  -8.026   0.318
  593    HD2  PRO  75           2HD      PRO  75   4.417  -7.662  -1.466
  594    HD3  PRO  75           1HD      PRO  75   3.271  -6.462  -0.848
  595    H    ARG  76           H        ARG  76   4.289  -7.158   4.159
  596    HA   ARG  76           HA       ARG  76   6.905  -7.055   5.035
  597    HB2  ARG  76           2HB      ARG  76   4.768  -6.402   6.239
  598    HB3  ARG  76           1HB      ARG  76   4.558  -8.112   6.587
  599    HG2  ARG  76           2HG      ARG  76   6.568  -8.164   7.876
  600    HG3  ARG  76           1HG      ARG  76   6.942  -6.504   7.411
  601    HD2  ARG  76           2HD      ARG  76   5.997  -6.657   9.683
  602    HD3  ARG  76           1HD      ARG  76   5.005  -5.689   8.597
  603    HE   ARG  76           HE       ARG  76   3.946  -8.217   8.458
  604   HH11  ARG  76          1HH1      ARG  76   4.585  -5.918  11.017
  605   HH12  ARG  76          2HH1      ARG  76   3.238  -6.421  11.985
  606   HH21  ARG  76          1HH2      ARG  76   2.139  -8.880   9.721
  607   HH22  ARG  76          2HH2      ARG  76   1.850  -8.105  11.250
  608    H    ALA  77           H        ALA  77   4.638  -9.787   4.947
  609    HA   ALA  77           HA       ALA  77   6.617 -11.685   5.797
  610    HB1  ALA  77           1HB      ALA  77   3.941 -12.137   4.470
  611    HB2  ALA  77           2HB      ALA  77   4.234 -12.072   6.208
  612    HB3  ALA  77           3HB      ALA  77   4.935 -13.372   5.243
  613    H    VAL  78           H        VAL  78   8.297 -11.174   4.344
  614    HA   VAL  78           HA       VAL  78   8.190 -11.212   1.574
  615    HB   VAL  78           HB       VAL  78  10.109 -10.429   2.935
  616   HG11  VAL  78          1HG1      VAL  78  11.790 -12.061   3.690
  617   HG12  VAL  78          2HG1      VAL  78  10.680 -13.368   3.280
  618   HG13  VAL  78          3HG1      VAL  78  10.257 -12.216   4.546
  619   HG21  VAL  78          3HG2      VAL  78  10.366 -10.796   0.550
  620   HG22  VAL  78          1HG2      VAL  78  10.817 -12.474   0.846
  621   HG23  VAL  78          2HG2      VAL  78  11.859 -11.170   1.412
  622    H    LYS  79           H        LYS  79   8.022 -13.827   3.799
  623    HA   LYS  79           HA       LYS  79   8.819 -15.972   2.152
  624    HB2  LYS  79           2HB      LYS  79   6.786 -15.967   4.391
  625    HB3  LYS  79           1HB      LYS  79   7.588 -17.384   3.730
  626    HG2  LYS  79           2HG      LYS  79   9.729 -16.588   4.532
  627    HG3  LYS  79           1HG      LYS  79   8.979 -15.107   5.126
  628    HD2  LYS  79           2HD      LYS  79   8.353 -17.901   6.081
  629    HD3  LYS  79           1HD      LYS  79   9.363 -16.732   6.929
  630    HE2  LYS  79           2HE      LYS  79   7.415 -15.204   7.047
  631    HE3  LYS  79           1HE      LYS  79   6.426 -16.458   6.300
  632    HZ1  LYS  79           3HZ      LYS  79   7.839 -16.681   8.897
  633    HZ2  LYS  79           1HZ      LYS  79   6.909 -17.900   8.181
  634    HZ3  LYS  79           2HZ      LYS  79   6.177 -16.465   8.694
  635    H    ASN  80           H        ASN  80   5.973 -14.035   2.223
  636    HA   ASN  80           HA       ASN  80   4.101 -15.853   1.138
  637    HB2  ASN  80           2HB      ASN  80   3.738 -13.580   2.296
  638    HB3  ASN  80           1HB      ASN  80   4.023 -12.879   0.708
  639   HD21  ASN  80          1HD2      ASN  80   1.879 -12.054   0.940
  640   HD22  ASN  80          2HD2      ASN  80   0.533 -13.059   0.544
  641    H    SER  81           H        SER  81   6.597 -13.902  -0.271
  642    HA   SER  81           HA       SER  81   7.726 -14.165  -2.194
  643    HB2  SER  81           2HB      SER  81   5.912 -16.526  -2.700
  644    HB3  SER  81           1HB      SER  81   7.435 -16.187  -3.523
  645    HG   SER  81           HG       SER  81   7.075 -16.730  -0.750
  646    H    SER  82           H        SER  82   4.767 -15.406  -3.692
  647    HA   SER  82           HA       SER  82   5.272 -13.628  -5.897
  648    HB2  SER  82           2HB      SER  82   3.076 -15.671  -5.512
  649    HB3  SER  82           1HB      SER  82   3.534 -14.911  -7.035
  650    HG   SER  82           HG       SER  82   4.700 -16.691  -7.129
  651    H    VAL  83           H        VAL  83   4.622 -11.977  -3.887
  652    HA   VAL  83           HA       VAL  83   2.066 -10.891  -4.784
  653    HB   VAL  83           HB       VAL  83   1.463 -12.156  -2.814
  654   HG11  VAL  83          1HG1      VAL  83   2.476 -11.472  -0.593
  655   HG12  VAL  83          2HG1      VAL  83   3.751 -10.696  -1.534
  656   HG13  VAL  83          3HG1      VAL  83   3.488 -12.433  -1.668
  657   HG21  VAL  83          3HG2      VAL  83   0.553 -10.354  -1.394
  658   HG22  VAL  83          1HG2      VAL  83   0.297 -10.060  -3.115
  659   HG23  VAL  83          2HG2      VAL  83   1.568  -9.194  -2.253
  660    H    GLN  84           H        GLN  84   2.097  -8.711  -4.978
  661    HA   GLN  84           HA       GLN  84   3.999  -7.154  -3.428
  662    HB2  GLN  84           2HB      GLN  84   4.692  -5.885  -5.502
  663    HB3  GLN  84           1HB      GLN  84   5.349  -7.506  -5.342
  664    HG2  GLN  84           2HG      GLN  84   2.842  -7.432  -6.814
  665    HG3  GLN  84           1HG      GLN  84   4.118  -6.471  -7.561
  666   HE21  GLN  84          1HE2      GLN  84   5.934  -7.484  -8.353
  667   HE22  GLN  84          2HE2      GLN  84   6.025  -9.193  -8.583
  668    H    PHE  85           H        PHE  85   3.522  -4.874  -3.402
  669    HA   PHE  85           HA       PHE  85   0.708  -4.339  -4.096
  670    HB2  PHE  85           2HB      PHE  85   2.299  -3.266  -1.755
  671    HB3  PHE  85           1HB      PHE  85   0.659  -2.787  -2.165
  672    HD1  PHE  85           1HD      PHE  85  -0.216  -5.669  -2.937
  673    HD2  PHE  85           2HD      PHE  85   1.768  -4.016   0.442
  674    HE1  PHE  85           1HE      PHE  85  -1.109  -7.477  -1.535
  675    HE2  PHE  85           2HE      PHE  85   0.886  -5.827   1.848
  676    HZ   PHE  85           HZ       PHE  85  -0.554  -7.563   0.861
  677    H    HIS  86           H        HIS  86   0.258  -2.582  -5.255
  678    HA   HIS  86           HA       HIS  86   2.467  -0.725  -5.851
  679    HB2  HIS  86           2HB      HIS  86   0.001  -1.521  -7.383
  680    HB3  HIS  86           1HB      HIS  86   0.826  -0.008  -7.733
  681    HD1  HIS  86           1HD      HIS  86   1.548  -0.749 -10.069
  682    HD2  HIS  86           2HD      HIS  86   2.926  -3.234  -7.035
  683    HE1  HIS  86           1HE      HIS  86   3.257  -2.241 -11.143
  684    HE2  HIS  86           2HE      HIS  86   4.234  -3.569  -9.241
  685    H    VAL  87           H        VAL  87   2.374   0.880  -4.361
  686    HA   VAL  87           HA       VAL  87  -0.245   1.909  -3.579
  687    HB   VAL  87           HB       VAL  87   2.529   2.457  -2.521
  688   HG11  VAL  87          1HG1      VAL  87   1.464   3.938  -0.869
  689   HG12  VAL  87          2HG1      VAL  87  -0.064   3.781  -1.733
  690   HG13  VAL  87          3HG1      VAL  87   1.313   4.558  -2.512
  691   HG21  VAL  87          3HG2      VAL  87   1.654   1.514  -0.464
  692   HG22  VAL  87          1HG2      VAL  87   1.434   0.375  -1.792
  693   HG23  VAL  87          2HG2      VAL  87   0.065   1.323  -1.203
  694    H    ILE  88           H        ILE  88  -1.097   3.359  -4.813
  695    HA   ILE  88           HA       ILE  88   0.636   5.176  -6.329
  696    HB   ILE  88           HB       ILE  88  -2.193   4.249  -6.797
  697   HG12  ILE  88          2HG1      ILE  88   0.316   3.914  -8.454
  698   HG13  ILE  88          1HG1      ILE  88  -0.335   2.688  -7.367
  699   HG21  ILE  88          1HG2      ILE  88  -0.593   6.253  -8.370
  700   HG22  ILE  88          2HG2      ILE  88  -2.032   6.587  -7.409
  701   HG23  ILE  88          3HG2      ILE  88  -2.149   5.581  -8.853
  702   HD11  ILE  88          3HD1      ILE  88  -0.931   2.229  -9.672
  703   HD12  ILE  88          1HD1      ILE  88  -1.724   3.800  -9.794
  704   HD13  ILE  88          2HD1      ILE  88  -2.366   2.569  -8.705
  705    H    PHE  89           H        PHE  89   0.409   7.338  -6.144
  706    HA   PHE  89           HA       PHE  89  -1.273   8.238  -3.931
  707    HB2  PHE  89           2HB      PHE  89   1.201   9.407  -5.194
  708    HB3  PHE  89           1HB      PHE  89   0.236  10.245  -3.985
  709    HD1  PHE  89           1HD      PHE  89  -0.260   8.953  -1.827
  710    HD2  PHE  89           2HD      PHE  89   2.896   7.992  -4.504
  711    HE1  PHE  89           1HE      PHE  89   0.862   7.698  -0.045
  712    HE2  PHE  89           2HE      PHE  89   4.028   6.736  -2.720
  713    HZ   PHE  89           HZ       PHE  89   2.988   6.589  -0.500
  714    H    ASP  90           H        ASP  90  -3.181   8.949  -4.647
  715    HA   ASP  90           HA       ASP  90  -3.533  10.101  -7.256
  716    HB2  ASP  90           2HB      ASP  90  -5.419   9.939  -4.890
  717    HB3  ASP  90           1HB      ASP  90  -5.872  10.519  -6.486
  718    H    GLU  91           H        GLU  91  -3.202  12.166  -7.789
  719    HA   GLU  91           HA       GLU  91  -2.395  13.956  -5.675
  720    HB2  GLU  91           2HB      GLU  91  -1.822  15.505  -7.555
  721    HB3  GLU  91           1HB      GLU  91  -0.995  13.957  -7.599
  722    HG2  GLU  91           2HG      GLU  91  -2.448  13.169  -9.341
  723    HG3  GLU  91           1HG      GLU  91  -3.435  14.626  -9.227
  724    H    GLU  92           H        GLU  92  -3.745  15.172  -4.642
  725    HA   GLU  92           HA       GLU  92  -6.133  16.170  -6.022
  726    HB2  GLU  92           2HB      GLU  92  -7.206  16.272  -3.779
  727    HB3  GLU  92           1HB      GLU  92  -6.796  14.639  -4.275
  728    HG2  GLU  92           2HG      GLU  92  -4.859  14.647  -2.831
  729    HG3  GLU  92           1HG      GLU  92  -5.165  16.325  -2.392
  Start of MODEL    3
    1    H1   GLY   1           1HT      GLY   1   5.473 -33.422 -11.370
    2    H2   GLY   1           2HT      GLY   1   5.950 -34.059 -12.860
    3    H3   GLY   1           3HT      GLY   1   4.487 -34.539 -12.166
    4    HA2  GLY   1           1HA      GLY   1   5.153 -31.846 -13.207
    5    HA3  GLY   1           2HA      GLY   1   4.039 -32.995 -13.931
    6    H    SER   2           H        SER   2   1.963 -32.878 -13.398
    7    HA   SER   2           HA       SER   2   0.031 -32.451 -12.305
    8    HB2  SER   2           2HB      SER   2   1.804 -31.872  -9.923
    9    HB3  SER   2           1HB      SER   2   0.047 -32.027  -9.869
   10    HG   SER   2           HG       SER   2   0.477 -34.182 -10.880
   11    H    ALA   3           H        ALA   3   2.445 -29.998 -11.312
   12    HA   ALA   3           HA       ALA   3   2.363 -27.729 -11.247
   13    HB1  ALA   3           1HB      ALA   3   1.211 -26.566 -13.048
   14    HB2  ALA   3           2HB      ALA   3   0.328 -28.036 -13.456
   15    HB3  ALA   3           3HB      ALA   3   2.076 -27.970 -13.671
   16    H    MET   4           H        MET   4   1.215 -28.549  -9.161
   17    HA   MET   4           HA       MET   4  -1.554 -27.669  -8.971
   18    HB2  MET   4           2HB      MET   4  -1.479 -28.535  -6.687
   19    HB3  MET   4           1HB      MET   4  -0.894 -29.741  -7.823
   20    HG2  MET   4           2HG      MET   4   1.390 -29.275  -7.206
   21    HG3  MET   4           1HG      MET   4   0.866 -27.965  -6.149
   22    HE1  MET   4           3HE      MET   4   2.320 -29.064  -4.178
   23    HE2  MET   4           1HE      MET   4   2.796 -30.373  -5.260
   24    HE3  MET   4           2HE      MET   4   2.142 -30.742  -3.663
   25    H    GLY   5           H        GLY   5   1.625 -26.532  -8.339
   26    HA2  GLY   5           2HA      GLY   5   0.624 -24.339  -6.665
   27    HA3  GLY   5           1HA      GLY   5   2.316 -24.735  -6.947
   28    H    HIS   6           H        HIS   6   3.332 -23.272  -8.112
   29    HA   HIS   6           HA       HIS   6   3.810 -21.681  -9.658
   30    HB2  HIS   6           2HB      HIS   6   3.341 -23.622 -11.156
   31    HB3  HIS   6           1HB      HIS   6   1.674 -23.083 -11.285
   32    HD1  HIS   6           1HD      HIS   6   1.157 -21.425 -13.078
   33    HD2  HIS   6           2HD      HIS   6   5.238 -21.756 -12.356
   34    HE1  HIS   6           1HE      HIS   6   2.273 -20.095 -14.892
   35    HE2  HIS   6           2HE      HIS   6   4.743 -20.373 -14.487
   36    H    MET   7           H        MET   7   2.334 -20.628  -7.742
   37    HA   MET   7           HA       MET   7  -0.109 -19.447  -8.624
   38    HB2  MET   7           2HB      MET   7   1.726 -18.653  -6.355
   39    HB3  MET   7           1HB      MET   7   0.117 -18.003  -6.622
   40    HG2  MET   7           2HG      MET   7  -0.740 -20.361  -6.413
   41    HG3  MET   7           1HG      MET   7   0.872 -20.805  -5.859
   42    HE1  MET   7           3HE      MET   7  -1.277 -17.533  -5.172
   43    HE2  MET   7           1HE      MET   7  -2.042 -17.992  -3.654
   44    HE3  MET   7           2HE      MET   7  -2.410 -18.881  -5.132
   45    HA   PRO   8           HA       PRO   8   1.784 -16.276 -11.200
   46    HB2  PRO   8           2HB      PRO   8  -0.951 -15.148 -10.982
   47    HB3  PRO   8           1HB      PRO   8   0.005 -15.506 -12.424
   48    HG2  PRO   8           2HG      PRO   8  -2.059 -17.047 -11.740
   49    HG3  PRO   8           1HG      PRO   8  -0.577 -17.751 -12.415
   50    HD2  PRO   8           2HD      PRO   8  -1.513 -17.667  -9.573
   51    HD3  PRO   8           1HD      PRO   8  -0.704 -18.980 -10.457
   52    H    ALA   9           H        ALA   9   2.348 -14.086 -10.907
   53    HA   ALA   9           HA       ALA   9   2.301 -13.283  -8.129
   54    HB1  ALA   9           1HB      ALA   9   3.877 -11.554  -8.793
   55    HB2  ALA   9           2HB      ALA   9   3.620 -11.952 -10.492
   56    HB3  ALA   9           3HB      ALA   9   4.382 -13.125  -9.419
   57    H    VAL  10           H        VAL  10   0.732 -12.135  -7.336
   58    HA   VAL  10           HA       VAL  10  -0.995 -10.607  -9.123
   59    HB   VAL  10           HB       VAL  10  -2.414 -10.381  -6.996
   60   HG11  VAL  10          1HG1      VAL  10  -3.368 -12.632  -7.297
   61   HG12  VAL  10          2HG1      VAL  10  -1.936 -13.105  -8.212
   62   HG13  VAL  10          3HG1      VAL  10  -3.012 -11.856  -8.839
   63   HG21  VAL  10          3HG2      VAL  10  -2.055 -11.992  -5.253
   64   HG22  VAL  10          1HG2      VAL  10  -0.602 -11.015  -5.450
   65   HG23  VAL  10          2HG2      VAL  10  -0.656 -12.654  -6.098
   66    H    ASP  11           H        ASP  11  -1.333  -8.479  -8.979
   67    HA   ASP  11           HA       ASP  11   0.405  -6.947  -7.163
   68    HB2  ASP  11           2HB      ASP  11  -0.920  -6.100  -9.755
   69    HB3  ASP  11           1HB      ASP  11   0.047  -5.050  -8.731
   70    H    VAL  12           H        VAL  12  -0.647  -6.159  -5.443
   71    HA   VAL  12           HA       VAL  12  -3.501  -5.525  -5.714
   72    HB   VAL  12           HB       VAL  12  -1.779  -5.473  -3.222
   73   HG11  VAL  12          1HG1      VAL  12  -3.920  -5.437  -2.025
   74   HG12  VAL  12          2HG1      VAL  12  -4.775  -5.361  -3.566
   75   HG13  VAL  12          3HG1      VAL  12  -3.733  -4.027  -3.069
   76   HG21  VAL  12          3HG2      VAL  12  -1.921  -7.735  -4.099
   77   HG22  VAL  12          1HG2      VAL  12  -3.677  -7.604  -4.206
   78   HG23  VAL  12          2HG2      VAL  12  -2.886  -7.586  -2.629
   79    H    GLU  13           H        GLU  13  -4.044  -3.485  -6.205
   80    HA   GLU  13           HA       GLU  13  -1.957  -1.457  -5.874
   81    HB2  GLU  13           2HB      GLU  13  -4.354  -1.426  -7.711
   82    HB3  GLU  13           1HB      GLU  13  -3.097  -0.198  -7.631
   83    HG2  GLU  13           2HG      GLU  13  -1.466  -2.051  -8.210
   84    HG3  GLU  13           1HG      GLU  13  -2.880  -3.024  -8.601
   85    H    ILE  14           H        ILE  14  -2.180  -0.270  -4.185
   86    HA   ILE  14           HA       ILE  14  -4.883   0.419  -3.255
   87    HB   ILE  14           HB       ILE  14  -2.468   0.898  -1.547
   88   HG12  ILE  14          2HG1      ILE  14  -3.844  -1.797  -1.760
   89   HG13  ILE  14          1HG1      ILE  14  -2.253  -1.448  -2.424
   90   HG21  ILE  14          1HG2      ILE  14  -4.669   1.678  -0.851
   91   HG22  ILE  14          2HG2      ILE  14  -4.071   0.424   0.236
   92   HG23  ILE  14          3HG2      ILE  14  -5.299   0.035  -0.968
   93   HD11  ILE  14          3HD1      ILE  14  -2.124  -2.625  -0.290
   94   HD12  ILE  14          1HD1      ILE  14  -2.997  -1.306   0.489
   95   HD13  ILE  14          2HD1      ILE  14  -1.396  -1.023  -0.194
   96    H    HIS  15           H        HIS  15  -5.495   2.500  -3.487
   97    HA   HIS  15           HA       HIS  15  -3.451   4.370  -4.452
   98    HB2  HIS  15           2HB      HIS  15  -6.455   4.381  -4.756
   99    HB3  HIS  15           1HB      HIS  15  -5.406   5.679  -5.313
  100    HD1  HIS  15           1HD      HIS  15  -6.420   2.162  -6.085
  101    HD2  HIS  15           2HD      HIS  15  -3.964   5.134  -7.645
  102    HE1  HIS  15           1HE      HIS  15  -5.782   1.376  -8.385
  103    HE2  HIS  15           2HE      HIS  15  -4.465   3.278  -9.377
  104    H    PHE  16           H        PHE  16  -2.670   5.700  -2.989
  105    HA   PHE  16           HA       PHE  16  -4.352   6.462  -0.709
  106    HB2  PHE  16           2HB      PHE  16  -1.368   6.602  -1.150
  107    HB3  PHE  16           1HB      PHE  16  -2.175   7.328   0.228
  108    HD1  PHE  16           2HD      PHE  16  -3.984   4.457  -0.428
  109    HD2  PHE  16           1HD      PHE  16  -0.220   5.711   1.102
  110    HE1  PHE  16           2HE      PHE  16  -3.791   2.353   0.827
  111    HE2  PHE  16           1HE      PHE  16  -0.021   3.606   2.349
  112    HZ   PHE  16           HZ       PHE  16  -1.810   1.927   2.216
  113    HA   PRO  17           HA       PRO  17  -4.728  10.538  -2.539
  114    HB2  PRO  17           2HB      PRO  17  -5.853  11.736  -0.366
  115    HB3  PRO  17           1HB      PRO  17  -6.768  10.736  -1.498
  116    HG2  PRO  17           2HG      PRO  17  -5.638  10.020   1.177
  117    HG3  PRO  17           1HG      PRO  17  -7.210   9.604   0.477
  118    HD2  PRO  17           2HD      PRO  17  -5.138   7.866   0.539
  119    HD3  PRO  17           1HD      PRO  17  -6.335   7.872  -0.771
  120    H    LEU  18           H        LEU  18  -2.888  11.584  -2.752
  121    HA   LEU  18           HA       LEU  18  -0.698  11.464  -1.092
  122    HB2  LEU  18           2HB      LEU  18  -0.710  12.115  -3.486
  123    HB3  LEU  18           1HB      LEU  18  -1.338  13.683  -3.032
  124    HG   LEU  18           HG       LEU  18   1.259  12.774  -1.857
  125   HD11  LEU  18          1HD1      LEU  18   1.490  12.325  -4.243
  126   HD12  LEU  18          2HD1      LEU  18   2.452  13.724  -3.771
  127   HD13  LEU  18          3HD1      LEU  18   0.920  13.951  -4.613
  128   HD21  LEU  18          3HD2      LEU  18   1.748  15.177  -1.954
  129   HD22  LEU  18          1HD2      LEU  18   0.267  14.849  -1.052
  130   HD23  LEU  18          2HD2      LEU  18   0.177  15.461  -2.704
  131    H    LYS  19           H        LYS  19  -3.252  13.891  -1.078
  132    HA   LYS  19           HA       LYS  19  -1.866  15.707   0.620
  133    HB2  LYS  19           2HB      LYS  19  -4.702  15.459  -0.297
  134    HB3  LYS  19           1HB      LYS  19  -4.318  16.547   1.026
  135    HG2  LYS  19           2HG      LYS  19  -4.361  17.822  -0.974
  136    HG3  LYS  19           1HG      LYS  19  -2.677  17.678  -0.475
  137    HD2  LYS  19           2HD      LYS  19  -2.247  16.034  -2.150
  138    HD3  LYS  19           1HD      LYS  19  -3.961  15.883  -2.528
  139    HE2  LYS  19           2HE      LYS  19  -3.088  17.190  -4.242
  140    HE3  LYS  19           1HE      LYS  19  -3.884  18.332  -3.166
  141    HZ1  LYS  19           3HZ      LYS  19  -1.703  18.819  -2.176
  142    HZ2  LYS  19           1HZ      LYS  19  -1.762  19.201  -3.822
  143    HZ3  LYS  19           2HZ      LYS  19  -0.966  17.802  -3.305
  144    H    ARG  20           H        ARG  20  -3.999  12.979   1.227
  145    HA   ARG  20           HA       ARG  20  -4.217  13.766   4.029
  146    HB2  ARG  20           2HB      ARG  20  -5.573  11.504   2.559
  147    HB3  ARG  20           1HB      ARG  20  -5.838  11.920   4.247
  148    HG2  ARG  20           2HG      ARG  20  -7.600  13.018   3.351
  149    HG3  ARG  20           1HG      ARG  20  -6.391  14.291   3.159
  150    HD2  ARG  20           2HD      ARG  20  -5.946  13.416   0.869
  151    HD3  ARG  20           1HD      ARG  20  -7.297  12.305   1.082
  152    HE   ARG  20           HE       ARG  20  -7.498  15.241   0.931
  153   HH11  ARG  20          1HH1      ARG  20  -9.073  12.114   0.908
  154   HH12  ARG  20          2HH1      ARG  20 -10.454  12.682   0.017
  155   HH21  ARG  20          1HH2      ARG  20  -9.330  15.993  -0.205
  156   HH22  ARG  20          2HH2      ARG  20 -10.614  14.894  -0.594
  157    H    ILE  21           H        ILE  21  -2.714  11.307   2.013
  158    HA   ILE  21           HA       ILE  21  -1.929   9.599   4.132
  159    HB   ILE  21           HB       ILE  21  -1.852   8.896   1.765
  160   HG12  ILE  21          2HG1      ILE  21   0.205   7.603   1.907
  161   HG13  ILE  21          1HG1      ILE  21   0.858   8.717   3.101
  162   HG21  ILE  21          1HG2      ILE  21   0.036   9.560   0.341
  163   HG22  ILE  21          2HG2      ILE  21   0.568  10.691   1.585
  164   HG23  ILE  21          3HG2      ILE  21  -0.977  10.940   0.771
  165   HD11  ILE  21          3HD1      ILE  21  -1.572   6.989   3.507
  166   HD12  ILE  21          1HD1      ILE  21  -0.789   8.015   4.710
  167   HD13  ILE  21          2HD1      ILE  21   0.055   6.605   4.069
  168    H    ALA  22           H        ALA  22  -0.734  12.613   2.932
  169    HA   ALA  22           HA       ALA  22   1.784  12.562   4.252
  170    HB1  ALA  22           1HB      ALA  22   0.129  14.917   3.352
  171    HB2  ALA  22           2HB      ALA  22   1.327  14.066   2.378
  172    HB3  ALA  22           3HB      ALA  22   1.831  14.963   3.811
  173    H    ALA  23           H        ALA  23  -1.471  13.440   5.147
  174    HA   ALA  23           HA       ALA  23  -0.770  14.864   7.532
  175    HB1  ALA  23           1HB      ALA  23  -3.183  14.826   7.981
  176    HB2  ALA  23           2HB      ALA  23  -3.411  13.707   6.636
  177    HB3  ALA  23           3HB      ALA  23  -2.839  15.348   6.332
  178    H    GLU  24           H        GLU  24  -1.049  14.167   9.677
  179    HA   GLU  24           HA       GLU  24  -0.491  11.346  10.032
  180    HB2  GLU  24           2HB      GLU  24   0.675  13.328  11.232
  181    HB3  GLU  24           1HB      GLU  24  -0.746  13.334  12.267
  182    HG2  GLU  24           2HG      GLU  24   1.088  12.064  13.252
  183    HG3  GLU  24           1HG      GLU  24  -0.313  11.043  12.924
  184    H    GLY  25           H        GLY  25  -3.104  13.546  10.364
  185    HA2  GLY  25           2HA      GLY  25  -4.744  11.644  11.842
  186    HA3  GLY  25           1HA      GLY  25  -5.243  13.232  11.266
  187    H    TYR  26           H        TYR  26  -3.834  10.440   9.607
  188    HA   TYR  26           HA       TYR  26  -5.430  10.899   7.296
  189    HB2  TYR  26           2HB      TYR  26  -4.306   8.951   6.362
  190    HB3  TYR  26           1HB      TYR  26  -3.148   9.998   7.164
  191    HD1  TYR  26           1HD      TYR  26  -5.067   6.843   7.565
  192    HD2  TYR  26           2HD      TYR  26  -1.755   9.167   8.878
  193    HE1  TYR  26           1HE      TYR  26  -4.237   4.919   8.838
  194    HE2  TYR  26           2HE      TYR  26  -0.918   7.244  10.163
  195    HH   TYR  26           HH       TYR  26  -1.694   5.174  11.126
  196    H    ALA  27           H        ALA  27  -6.039   9.265  10.178
  197    HA   ALA  27           HA       ALA  27  -7.608   7.099   9.210
  198    HB1  ALA  27           1HB      ALA  27  -8.333   6.840  11.515
  199    HB2  ALA  27           2HB      ALA  27  -7.665   8.421  11.919
  200    HB3  ALA  27           3HB      ALA  27  -6.592   7.106  11.440
  201    H    GLU  28           H        GLU  28  -8.174  10.417   9.330
  202    HA   GLU  28           HA       GLU  28 -11.058  10.184   9.620
  203    HB2  GLU  28           2HB      GLU  28  -9.299  12.594   9.132
  204    HB3  GLU  28           1HB      GLU  28 -11.035  12.649   9.410
  205    HG2  GLU  28           2HG      GLU  28 -10.715  11.694  11.630
  206    HG3  GLU  28           1HG      GLU  28  -8.974  11.632  11.353
  207    H    ASP  29           H        ASP  29  -8.874   9.767   7.171
  208    HA   ASP  29           HA       ASP  29 -10.522  10.975   5.091
  209    HB2  ASP  29           2HB      ASP  29  -8.103  11.262   4.895
  210    HB3  ASP  29           1HB      ASP  29  -7.881   9.513   4.903
  211    H    GLU  30           H        GLU  30 -12.224   9.861   4.484
  212    HA   GLU  30           HA       GLU  30 -12.617   7.137   5.026
  213    HB2  GLU  30           2HB      GLU  30 -14.502   8.633   4.793
  214    HB3  GLU  30           1HB      GLU  30 -14.065   8.984   3.125
  215    HG2  GLU  30           2HG      GLU  30 -14.543   6.692   2.492
  216    HG3  GLU  30           1HG      GLU  30 -14.916   6.289   4.166
  217    H    LEU  31           H        LEU  31 -11.354   8.810   2.218
  218    HA   LEU  31           HA       LEU  31 -11.577   6.776   0.326
  219    HB2  LEU  31           2HB      LEU  31  -9.981   9.210   0.682
  220    HB3  LEU  31           1HB      LEU  31  -9.177   7.976  -0.267
  221    HG   LEU  31           HG       LEU  31 -11.888   9.147  -0.879
  222   HD11  LEU  31          1HD1      LEU  31 -10.089  10.761  -1.203
  223   HD12  LEU  31          2HD1      LEU  31 -10.742  10.225  -2.751
  224   HD13  LEU  31          3HD1      LEU  31  -9.201   9.589  -2.177
  225   HD21  LEU  31          3HD2      LEU  31 -10.150   7.163  -2.332
  226   HD22  LEU  31          1HD2      LEU  31 -11.555   7.963  -3.040
  227   HD23  LEU  31          2HD2      LEU  31 -11.756   6.888  -1.659
  228    H    LEU  32           H        LEU  32  -9.072   7.464   2.718
  229    HA   LEU  32           HA       LEU  32  -7.312   5.472   1.746
  230    HB2  LEU  32           2HB      LEU  32  -6.633   7.527   2.935
  231    HB3  LEU  32           1HB      LEU  32  -7.407   6.925   4.388
  232    HG   LEU  32           HG       LEU  32  -5.854   5.057   4.440
  233   HD11  LEU  32          1HD1      LEU  32  -3.895   5.070   2.948
  234   HD12  LEU  32          2HD1      LEU  32  -4.613   6.415   2.059
  235   HD13  LEU  32          3HD1      LEU  32  -5.409   4.841   2.071
  236   HD21  LEU  32          3HD2      LEU  32  -5.344   7.144   5.636
  237   HD22  LEU  32          1HD2      LEU  32  -4.461   7.717   4.221
  238   HD23  LEU  32          2HD2      LEU  32  -3.885   6.306   5.108
  239    H    LEU  33           H        LEU  33  -9.666   5.715   4.319
  240    HA   LEU  33           HA       LEU  33  -8.993   3.263   5.566
  241    HB2  LEU  33           2HB      LEU  33 -10.261   5.346   6.461
  242    HB3  LEU  33           1HB      LEU  33 -11.680   4.556   5.803
  243    HG   LEU  33           HG       LEU  33 -11.267   2.604   7.225
  244   HD11  LEU  33          1HD1      LEU  33  -9.566   2.751   9.010
  245   HD12  LEU  33          2HD1      LEU  33  -8.951   4.231   8.273
  246   HD13  LEU  33          3HD1      LEU  33  -8.855   2.704   7.397
  247   HD21  LEU  33          3HD2      LEU  33 -11.800   3.655   9.373
  248   HD22  LEU  33          1HD2      LEU  33 -12.708   4.381   8.047
  249   HD23  LEU  33          2HD2      LEU  33 -11.311   5.220   8.722
  250    H    ASN  34           H        ASN  34 -11.529   4.179   3.224
  251    HA   ASN  34           HA       ASN  34 -12.755   1.599   3.346
  252    HB2  ASN  34           2HB      ASN  34 -14.337   2.363   1.859
  253    HB3  ASN  34           1HB      ASN  34 -13.779   3.885   2.536
  254   HD21  ASN  34          1HD2      ASN  34 -12.688   5.320   1.247
  255   HD22  ASN  34          2HD2      ASN  34 -12.545   5.123  -0.470
  256    H    GLN  35           H        GLN  35 -10.296   3.052   1.278
  257    HA   GLN  35           HA       GLN  35 -10.265   0.885  -0.578
  258    HB2  GLN  35           2HB      GLN  35  -8.156   2.941   0.090
  259    HB3  GLN  35           1HB      GLN  35  -8.018   1.779  -1.222
  260    HG2  GLN  35           2HG      GLN  35  -9.947   2.721  -2.319
  261    HG3  GLN  35           1HG      GLN  35 -10.218   3.816  -0.965
  262   HE21  GLN  35          1HE2      GLN  35  -8.799   5.527  -0.639
  263   HE22  GLN  35          2HE2      GLN  35  -7.759   6.114  -1.891
  264    H    MET  36           H        MET  36  -8.510   1.622   2.392
  265    HA   MET  36           HA       MET  36  -7.091  -0.898   2.288
  266    HB2  MET  36           2HB      MET  36  -7.205   1.267   4.387
  267    HB3  MET  36           1HB      MET  36  -6.289  -0.222   4.567
  268    HG2  MET  36           2HG      MET  36  -5.694   1.090   2.066
  269    HG3  MET  36           1HG      MET  36  -5.406   2.150   3.443
  270    HE1  MET  36           3HE      MET  36  -3.393  -1.981   2.936
  271    HE2  MET  36           1HE      MET  36  -4.638  -1.349   1.860
  272    HE3  MET  36           2HE      MET  36  -5.053  -1.820   3.507
  273    H    GLY  37           H        GLY  37 -10.197  -0.102   2.991
  274    HA2  GLY  37           2HA      GLY  37 -10.500  -2.373   4.814
  275    HA3  GLY  37           1HA      GLY  37 -11.788  -1.315   4.250
  276    H    LYS  38           H        LYS  38 -10.866  -1.480   1.485
  277    HA   LYS  38           HA       LYS  38 -12.322  -3.808   0.678
  278    HB2  LYS  38           2HB      LYS  38 -10.833  -1.679  -0.830
  279    HB3  LYS  38           1HB      LYS  38 -11.627  -3.024  -1.639
  280    HG2  LYS  38           2HG      LYS  38 -12.975  -0.966   0.100
  281    HG3  LYS  38           1HG      LYS  38 -13.017  -1.026  -1.662
  282    HD2  LYS  38           2HD      LYS  38 -14.047  -3.308  -1.460
  283    HD3  LYS  38           1HD      LYS  38 -14.182  -3.020   0.275
  284    HE2  LYS  38           2HE      LYS  38 -16.280  -2.495  -0.798
  285    HE3  LYS  38           1HE      LYS  38 -15.539  -1.014  -0.194
  286    HZ1  LYS  38           3HZ      LYS  38 -15.419  -1.957  -3.008
  287    HZ2  LYS  38           1HZ      LYS  38 -14.778  -0.509  -2.415
  288    HZ3  LYS  38           2HZ      LYS  38 -16.449  -0.749  -2.430
  289    H    VAL  39           H        VAL  39  -9.030  -2.750  -0.274
  290    HA   VAL  39           HA       VAL  39  -8.518  -5.476  -1.191
  291    HB   VAL  39           HB       VAL  39  -6.452  -4.553  -2.182
  292   HG11  VAL  39          1HG1      VAL  39  -8.505  -4.563  -3.482
  293   HG12  VAL  39          2HG1      VAL  39  -7.536  -3.140  -3.868
  294   HG13  VAL  39          3HG1      VAL  39  -8.949  -2.988  -2.824
  295   HG21  VAL  39          3HG2      VAL  39  -6.072  -2.128  -2.182
  296   HG22  VAL  39          1HG2      VAL  39  -5.973  -2.804  -0.556
  297   HG23  VAL  39          2HG2      VAL  39  -7.415  -1.921  -1.060
  298    H    ASN  40           H        ASN  40  -8.727  -5.142   1.552
  299    HA   ASN  40           HA       ASN  40  -6.017  -5.744   2.475
  300    HB2  ASN  40           2HB      ASN  40  -6.314  -3.413   2.944
  301    HB3  ASN  40           1HB      ASN  40  -7.902  -3.697   3.647
  302   HD21  ASN  40          1HD2      ASN  40  -4.488  -4.318   4.021
  303   HD22  ASN  40          2HD2      ASN  40  -4.506  -4.499   5.737
  304    H    ASP  41           H        ASP  41  -9.265  -6.518   2.351
  305    HA   ASP  41           HA       ASP  41  -9.579  -7.681   4.948
  306    HB2  ASP  41           2HB      ASP  41 -11.496  -6.945   3.518
  307    HB3  ASP  41           1HB      ASP  41 -11.137  -8.259   2.414
  308    H    THR  42           H        THR  42  -8.505  -8.718   1.809
  309    HA   THR  42           HA       THR  42  -7.598 -11.229   3.003
  310    HB   THR  42           HB       THR  42  -8.671 -11.273   0.206
  311    HG1  THR  42           1HG      THR  42 -10.144 -11.081   2.594
  312   HG21  THR  42          3HG2      THR  42  -7.407 -13.175   1.155
  313   HG22  THR  42          1HG2      THR  42  -9.070 -13.599   0.747
  314   HG23  THR  42          2HG2      THR  42  -8.622 -13.307   2.426
  315    HA   PRO  43           HA       PRO  43  -4.386  -9.173   0.362
  316    HB2  PRO  43           2HB      PRO  43  -2.685  -8.376   2.312
  317    HB3  PRO  43           1HB      PRO  43  -4.056  -7.403   1.776
  318    HG2  PRO  43           2HG      PRO  43  -3.682  -8.874   4.292
  319    HG3  PRO  43           1HG      PRO  43  -4.795  -7.555   3.916
  320    HD2  PRO  43           2HD      PRO  43  -5.344 -10.372   4.036
  321    HD3  PRO  43           1HD      PRO  43  -6.473  -9.048   3.705
  322    H    GLU  44           H        GLU  44  -4.652 -11.875   2.134
  323    HA   GLU  44           HA       GLU  44  -3.576 -13.863   2.146
  324    HB2  GLU  44           2HB      GLU  44  -2.887 -13.425  -0.163
  325    HB3  GLU  44           1HB      GLU  44  -1.496 -12.518   0.415
  326    HG2  GLU  44           2HG      GLU  44  -0.601 -14.532   1.453
  327    HG3  GLU  44           1HG      GLU  44  -2.002 -15.446   0.902
  328    H    GLU  45           H        GLU  45  -1.261 -11.195   2.487
  329    HA   GLU  45           HA       GLU  45   0.537 -12.594   4.141
  330    HB2  GLU  45           2HB      GLU  45   0.949 -10.440   2.846
  331    HB3  GLU  45           1HB      GLU  45   0.138  -9.604   4.163
  332    HG2  GLU  45           2HG      GLU  45   1.842 -10.891   5.645
  333    HG3  GLU  45           1HG      GLU  45   2.740 -11.022   4.135
  334    H    GLU  46           H        GLU  46  -1.476  -9.850   5.186
  335    HA   GLU  46           HA       GLU  46  -2.229 -11.347   7.589
  336    HB2  GLU  46           2HB      GLU  46  -1.217  -8.490   7.556
  337    HB3  GLU  46           1HB      GLU  46  -1.932  -9.285   8.949
  338    HG2  GLU  46           2HG      GLU  46  -0.086 -10.958   8.845
  339    HG3  GLU  46           1HG      GLU  46   0.656  -9.976   7.585
  340    H    GLY  47           H        GLY  47  -3.362  -8.496   8.334
  341    HA2  GLY  47           2HA      GLY  47  -5.130  -7.982   6.085
  342    HA3  GLY  47           1HA      GLY  47  -5.913  -8.433   7.593
  343    H    MET  48           H        MET  48  -6.003  -6.994   9.258
  344    HA   MET  48           HA       MET  48  -5.877  -4.284   8.804
  345    HB2  MET  48           2HB      MET  48  -7.047  -5.327  10.703
  346    HB3  MET  48           1HB      MET  48  -5.495  -5.655  11.463
  347    HG2  MET  48           2HG      MET  48  -5.225  -3.030  11.075
  348    HG3  MET  48           1HG      MET  48  -6.982  -3.116  11.197
  349    HE1  MET  48           3HE      MET  48  -3.560  -3.555  12.979
  350    HE2  MET  48           1HE      MET  48  -4.134  -5.221  12.968
  351    HE3  MET  48           2HE      MET  48  -4.003  -4.346  14.491
  352    HA   PRO  49           HA       PRO  49  -1.464  -4.100  10.764
  353    HB2  PRO  49           2HB      PRO  49  -0.263  -6.712  10.164
  354    HB3  PRO  49           1HB      PRO  49  -0.313  -5.832  11.694
  355    HG2  PRO  49           2HG      PRO  49  -1.751  -8.063  11.328
  356    HG3  PRO  49           1HG      PRO  49  -2.376  -6.711  12.286
  357    HD2  PRO  49           2HD      PRO  49  -2.928  -7.414   9.423
  358    HD3  PRO  49           1HD      PRO  49  -4.085  -7.018  10.702
  359    H    LEU  50           H        LEU  50  -2.063  -6.111   7.952
  360    HA   LEU  50           HA       LEU  50   0.067  -5.357   6.310
  361    HB2  LEU  50           2HB      LEU  50  -1.659  -7.118   5.832
  362    HB3  LEU  50           1HB      LEU  50  -2.823  -5.851   5.526
  363    HG   LEU  50           HG       LEU  50  -1.963  -6.895   3.473
  364   HD11  LEU  50          1HD1      LEU  50  -1.418  -4.858   2.243
  365   HD12  LEU  50          2HD1      LEU  50  -1.169  -4.008   3.772
  366   HD13  LEU  50          3HD1      LEU  50  -2.772  -4.615   3.348
  367   HD21  LEU  50          3HD2      LEU  50   0.278  -7.428   4.231
  368   HD22  LEU  50          1HD2      LEU  50   0.680  -5.712   4.277
  369   HD23  LEU  50          2HD2      LEU  50   0.315  -6.491   2.737
  370    H    ARG  51           H        ARG  51  -3.106  -3.896   6.853
  371    HA   ARG  51           HA       ARG  51  -2.808  -1.622   5.247
  372    HB2  ARG  51           2HB      ARG  51  -4.969  -1.826   5.952
  373    HB3  ARG  51           1HB      ARG  51  -4.517  -2.414   7.544
  374    HG2  ARG  51           2HG      ARG  51  -3.778  -0.026   8.031
  375    HG3  ARG  51           1HG      ARG  51  -4.646   0.419   6.563
  376    HD2  ARG  51           2HD      ARG  51  -6.715  -0.266   7.454
  377    HD3  ARG  51           1HD      ARG  51  -5.944  -1.152   8.771
  378    HE   ARG  51           HE       ARG  51  -5.240   1.563   8.957
  379   HH11  ARG  51          1HH1      ARG  51  -8.028  -0.522   9.386
  380   HH12  ARG  51          2HH1      ARG  51  -8.768   0.503  10.577
  381   HH21  ARG  51          1HH2      ARG  51  -6.204   2.894  10.545
  382   HH22  ARG  51          2HH2      ARG  51  -7.732   2.437  11.230
  383    H    ALA  52           H        ALA  52  -2.098  -2.130   8.667
  384    HA   ALA  52           HA       ALA  52  -1.366   0.470   9.307
  385    HB1  ALA  52           1HB      ALA  52  -0.344  -0.455  11.290
  386    HB2  ALA  52           2HB      ALA  52  -0.306  -2.059  10.558
  387    HB3  ALA  52           3HB      ALA  52  -1.851  -1.308  10.952
  388    H    TRP  53           H        TRP  53   0.741  -2.262   8.314
  389    HA   TRP  53           HA       TRP  53   3.063  -0.620   8.533
  390    HB2  TRP  53           2HB      TRP  53   4.355  -2.473   7.948
  391    HB3  TRP  53           1HB      TRP  53   2.998  -3.127   8.831
  392    HD1  TRP  53           HD       TRP  53   1.864  -5.152   7.813
  393    HE1  TRP  53           1HE      TRP  53   1.967  -6.376   5.549
  394    HE3  TRP  53           3HE      TRP  53   4.637  -1.767   5.179
  395    HZ2  TRP  53           2HZ      TRP  53   3.067  -5.950   2.994
  396    HZ3  TRP  53           3HZ      TRP  53   5.186  -2.258   2.840
  397    HH2  TRP  53           HH       TRP  53   4.408  -4.306   1.764
  398    H    VAL  54           H        VAL  54   1.012  -1.616   5.875
  399    HA   VAL  54           HA       VAL  54   2.618  -0.603   3.791
  400    HB   VAL  54           HB       VAL  54  -0.233  -1.362   4.094
  401   HG11  VAL  54          1HG1      VAL  54   0.806   0.010   1.614
  402   HG12  VAL  54          2HG1      VAL  54  -0.313   0.731   2.769
  403   HG13  VAL  54          3HG1      VAL  54  -0.803  -0.682   1.835
  404   HG21  VAL  54          3HG2      VAL  54   0.305  -2.865   2.244
  405   HG22  VAL  54          1HG2      VAL  54   1.423  -3.057   3.595
  406   HG23  VAL  54          2HG2      VAL  54   1.919  -2.165   2.155
  407    H    ILE  55           H        ILE  55  -0.205   0.838   5.466
  408    HA   ILE  55           HA       ILE  55  -0.040   3.363   4.283
  409    HB   ILE  55           HB       ILE  55  -1.074   2.522   6.987
  410   HG12  ILE  55          2HG1      ILE  55  -2.458   3.278   4.405
  411   HG13  ILE  55          1HG1      ILE  55  -2.272   1.647   5.039
  412   HG21  ILE  55          1HG2      ILE  55  -1.359   5.216   5.664
  413   HG22  ILE  55          2HG2      ILE  55  -0.430   4.863   7.122
  414   HG23  ILE  55          3HG2      ILE  55  -2.185   4.691   7.132
  415   HD11  ILE  55          3HD1      ILE  55  -4.500   2.491   5.426
  416   HD12  ILE  55          1HD1      ILE  55  -3.847   3.882   6.292
  417   HD13  ILE  55          2HD1      ILE  55  -3.655   2.261   6.959
  418    H    LYS  56           H        LYS  56   1.611   2.053   7.127
  419    HA   LYS  56           HA       LYS  56   2.805   4.466   7.960
  420    HB2  LYS  56           2HB      LYS  56   2.674   2.442   9.370
  421    HB3  LYS  56           1HB      LYS  56   3.825   1.643   8.313
  422    HG2  LYS  56           2HG      LYS  56   4.952   2.415  10.285
  423    HG3  LYS  56           1HG      LYS  56   5.507   3.347   8.894
  424    HD2  LYS  56           2HD      LYS  56   5.160   4.833  10.760
  425    HD3  LYS  56           1HD      LYS  56   3.934   5.153   9.534
  426    HE2  LYS  56           2HE      LYS  56   2.957   5.156  11.766
  427    HE3  LYS  56           1HE      LYS  56   2.316   3.827  10.802
  428    HZ1  LYS  56           3HZ      LYS  56   4.485   3.580  12.818
  429    HZ2  LYS  56           1HZ      LYS  56   3.791   2.312  11.939
  430    HZ3  LYS  56           2HZ      LYS  56   2.865   3.158  13.075
  431    H    CYS  57           H        CYS  57   4.066   1.830   5.920
  432    HA   CYS  57           HA       CYS  57   6.595   2.968   5.464
  433    HB2  CYS  57           2HB      CYS  57   6.079   0.603   5.004
  434    HB3  CYS  57           1HB      CYS  57   5.025   1.090   3.681
  435    HG   CYS  57           HG       CYS  57   8.071   2.363   3.339
  436    H    ALA  58           H        ALA  58   3.603   3.105   3.557
  437    HA   ALA  58           HA       ALA  58   4.609   4.689   1.462
  438    HB1  ALA  58           1HB      ALA  58   2.262   5.180   0.963
  439    HB2  ALA  58           2HB      ALA  58   1.791   4.515   2.527
  440    HB3  ALA  58           3HB      ALA  58   2.504   3.466   1.301
  441    H    HIS  59           H        HIS  59   3.175   5.502   4.575
  442    HA   HIS  59           HA       HIS  59   2.972   8.280   4.207
  443    HB2  HIS  59           2HB      HIS  59   2.011   6.826   6.097
  444    HB3  HIS  59           1HB      HIS  59   3.597   6.956   6.845
  445    HD1  HIS  59           1HD      HIS  59   1.348   8.061   8.432
  446    HD2  HIS  59           2HD      HIS  59   3.353  10.329   5.593
  447    HE1  HIS  59           1HE      HIS  59   0.910  10.449   9.045
  448    HE2  HIS  59           2HE      HIS  59   1.961  11.796   7.200
  449    H    GLU  60           H        GLU  60   5.583   6.261   5.525
  450    HA   GLU  60           HA       GLU  60   7.335   8.361   6.179
  451    HB2  GLU  60           2HB      GLU  60   8.018   5.530   5.363
  452    HB3  GLU  60           1HB      GLU  60   9.101   6.651   6.173
  453    HG2  GLU  60           2HG      GLU  60   7.615   6.684   8.114
  454    HG3  GLU  60           1HG      GLU  60   6.536   5.551   7.300
  455    H    ALA  61           H        ALA  61   7.066   6.375   3.245
  456    HA   ALA  61           HA       ALA  61   9.233   7.524   1.862
  457    HB1  ALA  61           1HB      ALA  61   8.198   5.397   1.211
  458    HB2  ALA  61           2HB      ALA  61   8.255   6.527  -0.140
  459    HB3  ALA  61           3HB      ALA  61   6.738   6.256   0.720
  460    H    LEU  62           H        LEU  62   5.800   8.329   1.930
  461    HA   LEU  62           HA       LEU  62   5.970  10.303  -0.133
  462    HB2  LEU  62           2HB      LEU  62   3.995   8.917   0.392
  463    HB3  LEU  62           1HB      LEU  62   3.804   9.775   1.904
  464    HG   LEU  62           HG       LEU  62   2.193  10.435   0.143
  465   HD11  LEU  62          1HD1      LEU  62   2.678  12.000   1.923
  466   HD12  LEU  62          2HD1      LEU  62   2.394  12.847   0.404
  467   HD13  LEU  62          3HD1      LEU  62   4.038  12.648   1.007
  468   HD21  LEU  62          3HD2      LEU  62   3.600  10.172  -1.793
  469   HD22  LEU  62          1HD2      LEU  62   4.614  11.517  -1.270
  470   HD23  LEU  62          2HD2      LEU  62   2.935  11.801  -1.724
  471    H    GLU  63           H        GLU  63   5.974  10.446   3.417
  472    HA   GLU  63           HA       GLU  63   5.830  13.329   3.323
  473    HB2  GLU  63           2HB      GLU  63   5.916  11.271   5.467
  474    HB3  GLU  63           1HB      GLU  63   6.541  12.864   5.877
  475    HG2  GLU  63           2HG      GLU  63   3.828  12.407   4.673
  476    HG3  GLU  63           1HG      GLU  63   4.132  12.497   6.409
  477    H    LYS  64           H        LYS  64   8.374  10.960   3.380
  478    HA   LYS  64           HA       LYS  64  10.368  12.900   4.224
  479    HB2  LYS  64           2HB      LYS  64  10.406  10.328   4.638
  480    HB3  LYS  64           1HB      LYS  64  10.970  10.223   2.979
  481    HG2  LYS  64           2HG      LYS  64  12.353  11.954   4.991
  482    HG3  LYS  64           1HG      LYS  64  12.709  10.235   4.849
  483    HD2  LYS  64           2HD      LYS  64  13.443  10.506   2.591
  484    HD3  LYS  64           1HD      LYS  64  12.866  12.174   2.547
  485    HE2  LYS  64           2HE      LYS  64  15.313  12.016   2.825
  486    HE3  LYS  64           1HE      LYS  64  14.522  12.835   4.171
  487    HZ1  LYS  64           3HZ      LYS  64  14.680  10.820   5.467
  488    HZ2  LYS  64           1HZ      LYS  64  16.213  11.265   4.910
  489    HZ3  LYS  64           2HZ      LYS  64  15.382   9.992   4.172
  490    H    ASN  65           H        ASN  65   9.200  11.291   1.369
  491    HA   ASN  65           HA       ASN  65  10.376  13.422  -0.261
  492    HB2  ASN  65           2HB      ASN  65  11.686  11.429  -0.704
  493    HB3  ASN  65           1HB      ASN  65  10.226  10.476  -0.940
  494   HD21  ASN  65          1HD2      ASN  65   8.926  10.899  -2.755
  495   HD22  ASN  65          2HD2      ASN  65   9.636  11.586  -4.195
  496    HA   PRO  66           HA       PRO  66   5.883  13.223  -0.950
  497    HB2  PRO  66           2HB      PRO  66   5.300  15.763  -0.550
  498    HB3  PRO  66           1HB      PRO  66   5.840  14.782   0.803
  499    HG2  PRO  66           2HG      PRO  66   7.430  16.708  -0.860
  500    HG3  PRO  66           1HG      PRO  66   7.365  16.551   0.906
  501    HD2  PRO  66           2HD      PRO  66   9.297  15.389  -0.705
  502    HD3  PRO  66           1HD      PRO  66   8.866  14.821   0.919
  503    H    LYS  67           H        LYS  67   8.063  13.337  -2.919
  504    HA   LYS  67           HA       LYS  67   6.752  14.949  -5.006
  505    HB2  LYS  67           2HB      LYS  67   9.673  14.235  -4.699
  506    HB3  LYS  67           1HB      LYS  67   8.991  15.028  -6.112
  507    HG2  LYS  67           2HG      LYS  67   8.327  16.930  -4.760
  508    HG3  LYS  67           1HG      LYS  67   8.933  16.130  -3.309
  509    HD2  LYS  67           2HD      LYS  67  10.655  16.793  -5.690
  510    HD3  LYS  67           1HD      LYS  67  10.465  17.860  -4.299
  511    HE2  LYS  67           2HE      LYS  67  11.336  16.100  -2.837
  512    HE3  LYS  67           1HE      LYS  67  11.517  15.034  -4.228
  513    HZ1  LYS  67           3HZ      LYS  67  13.606  16.092  -3.620
  514    HZ2  LYS  67           1HZ      LYS  67  12.926  17.623  -3.856
  515    HZ3  LYS  67           2HZ      LYS  67  13.117  16.568  -5.165
  516    H    ILE  68           H        ILE  68   6.788  11.951  -3.978
  517    HA   ILE  68           HA       ILE  68   7.080  10.670  -6.590
  518    HB   ILE  68           HB       ILE  68   6.354   8.597  -5.283
  519   HG12  ILE  68          2HG1      ILE  68   6.956  10.444  -2.965
  520   HG13  ILE  68          1HG1      ILE  68   5.390   9.745  -3.361
  521   HG21  ILE  68          1HG2      ILE  68   8.593   8.203  -4.420
  522   HG22  ILE  68          2HG2      ILE  68   8.941   9.924  -4.533
  523   HG23  ILE  68          3HG2      ILE  68   8.645   8.991  -5.997
  524   HD11  ILE  68          3HD1      ILE  68   7.840   8.221  -2.515
  525   HD12  ILE  68          1HD1      ILE  68   6.269   7.522  -2.904
  526   HD13  ILE  68          2HD1      ILE  68   6.438   8.585  -1.509
  527    H    ARG  69           H        ARG  69   5.294   9.189  -7.262
  528    HA   ARG  69           HA       ARG  69   2.671  10.157  -6.374
  529    HB2  ARG  69           2HB      ARG  69   1.802  10.121  -8.623
  530    HB3  ARG  69           1HB      ARG  69   3.205  11.172  -8.557
  531    HG2  ARG  69           2HG      ARG  69   4.568   9.462  -9.600
  532    HG3  ARG  69           1HG      ARG  69   3.197   8.349  -9.604
  533    HD2  ARG  69           2HD      ARG  69   1.953   9.913 -11.037
  534    HD3  ARG  69           1HD      ARG  69   3.347  10.990 -11.060
  535    HE   ARG  69           HE       ARG  69   4.272   8.554 -11.948
  536   HH11  ARG  69          1HH1      ARG  69   1.826  10.845 -12.962
  537   HH12  ARG  69          2HH1      ARG  69   1.962  10.436 -14.642
  538   HH21  ARG  69          1HH2      ARG  69   4.459   8.027 -14.163
  539   HH22  ARG  69          2HH2      ARG  69   3.470   8.848 -15.327
  540    H    GLU  70           H        GLU  70   4.713   7.553  -6.743
  541    HA   GLU  70           HA       GLU  70   2.725   5.839  -5.668
  542    HB2  GLU  70           2HB      GLU  70   2.801   4.100  -7.426
  543    HB3  GLU  70           1HB      GLU  70   2.043   5.598  -7.964
  544    HG2  GLU  70           2HG      GLU  70   4.080   6.228  -9.122
  545    HG3  GLU  70           1HG      GLU  70   4.883   4.771  -8.541
  546    H    VAL  71           H        VAL  71   3.598   3.790  -4.940
  547    HA   VAL  71           HA       VAL  71   6.514   3.515  -5.155
  548    HB   VAL  71           HB       VAL  71   6.604   2.793  -2.756
  549   HG11  VAL  71          1HG1      VAL  71   5.810   5.637  -3.340
  550   HG12  VAL  71          2HG1      VAL  71   7.438   4.959  -3.341
  551   HG13  VAL  71          3HG1      VAL  71   6.540   5.098  -1.829
  552   HG21  VAL  71          3HG2      VAL  71   4.273   2.315  -2.359
  553   HG22  VAL  71          1HG2      VAL  71   3.842   3.999  -2.666
  554   HG23  VAL  71          2HG2      VAL  71   4.811   3.582  -1.252
  555    H    TYR  72           H        TYR  72   7.305   1.380  -4.719
  556    HA   TYR  72           HA       TYR  72   5.281  -0.699  -5.221
  557    HB2  TYR  72           2HB      TYR  72   8.141  -0.411  -6.085
  558    HB3  TYR  72           1HB      TYR  72   7.412  -2.009  -5.969
  559    HD1  TYR  72           1HD      TYR  72   7.254   1.240  -7.720
  560    HD2  TYR  72           2HD      TYR  72   5.838  -2.768  -7.570
  561    HE1  TYR  72           1HE      TYR  72   6.276   1.503  -9.965
  562    HE2  TYR  72           2HE      TYR  72   4.863  -2.517  -9.807
  563    HH   TYR  72           HH       TYR  72   5.593   0.092 -11.853
  564    H    LEU  73           H        LEU  73   4.851  -1.959  -3.574
  565    HA   LEU  73           HA       LEU  73   6.870  -2.221  -1.456
  566    HB2  LEU  73           2HB      LEU  73   3.938  -1.882  -1.423
  567    HB3  LEU  73           1HB      LEU  73   4.601  -2.990  -0.236
  568    HG   LEU  73           HG       LEU  73   5.393  -0.095  -0.565
  569   HD11  LEU  73          1HD1      LEU  73   4.279   0.204   1.594
  570   HD12  LEU  73          2HD1      LEU  73   3.768  -1.485   1.566
  571   HD13  LEU  73          3HD1      LEU  73   3.151  -0.354   0.360
  572   HD21  LEU  73          3HD2      LEU  73   6.514  -0.602   1.678
  573   HD22  LEU  73          1HD2      LEU  73   7.294  -1.226   0.223
  574   HD23  LEU  73          2HD2      LEU  73   6.339  -2.304   1.237
  575    H    LYS  74           H        LYS  74   7.459  -4.128  -0.698
  576    HA   LYS  74           HA       LYS  74   6.162  -6.531  -1.794
  577    HB2  LYS  74           2HB      LYS  74   8.530  -6.181  -2.541
  578    HB3  LYS  74           1HB      LYS  74   9.028  -6.226  -0.859
  579    HG2  LYS  74           2HG      LYS  74   9.475  -8.356  -1.772
  580    HG3  LYS  74           1HG      LYS  74   8.065  -8.534  -0.729
  581    HD2  LYS  74           2HD      LYS  74   6.614  -8.390  -2.727
  582    HD3  LYS  74           1HD      LYS  74   8.053  -8.297  -3.739
  583    HE2  LYS  74           2HE      LYS  74   7.324 -10.582  -1.915
  584    HE3  LYS  74           1HE      LYS  74   7.132 -10.565  -3.667
  585    HZ1  LYS  74           3HZ      LYS  74   9.157 -11.719  -2.954
  586    HZ2  LYS  74           1HZ      LYS  74   9.736 -10.289  -2.257
  587    HZ3  LYS  74           2HZ      LYS  74   9.501 -10.384  -3.927
  588    HA   PRO  75           HA       PRO  75   4.514  -7.233   2.291
  589    HB2  PRO  75           2HB      PRO  75   5.229 -10.005   1.411
  590    HB3  PRO  75           1HB      PRO  75   3.759  -9.427   2.204
  591    HG2  PRO  75           2HG      PRO  75   3.845  -9.868  -0.431
  592    HG3  PRO  75           1HG      PRO  75   2.896  -8.547   0.260
  593    HD2  PRO  75           2HD      PRO  75   5.368  -8.437  -1.316
  594    HD3  PRO  75           1HD      PRO  75   4.168  -7.171  -1.027
  595    H    ARG  76           H        ARG  76   5.277  -7.557   4.296
  596    HA   ARG  76           HA       ARG  76   8.069  -7.758   4.783
  597    HB2  ARG  76           2HB      ARG  76   5.786  -8.199   6.710
  598    HB3  ARG  76           1HB      ARG  76   7.458  -7.888   7.146
  599    HG2  ARG  76           2HG      ARG  76   7.265  -5.668   6.025
  600    HG3  ARG  76           1HG      ARG  76   5.542  -5.986   5.818
  601    HD2  ARG  76           2HD      ARG  76   6.968  -5.966   8.473
  602    HD3  ARG  76           1HD      ARG  76   6.094  -4.590   7.807
  603    HE   ARG  76           HE       ARG  76   4.404  -6.851   7.880
  604   HH11  ARG  76          1HH1      ARG  76   5.947  -4.548  10.009
  605   HH12  ARG  76          2HH1      ARG  76   4.690  -4.605  11.201
  606   HH21  ARG  76          1HH2      ARG  76   2.710  -6.915   9.452
  607   HH22  ARG  76          2HH2      ARG  76   2.869  -5.955  10.893
  608    H    ALA  77           H        ALA  77   5.372  -9.967   4.740
  609    HA   ALA  77           HA       ALA  77   6.975 -12.258   5.424
  610    HB1  ALA  77           1HB      ALA  77   4.280 -12.183   4.068
  611    HB2  ALA  77           2HB      ALA  77   4.520 -12.181   5.814
  612    HB3  ALA  77           3HB      ALA  77   5.032 -13.570   4.856
  613    H    VAL  78           H        VAL  78   8.677 -11.719   3.946
  614    HA   VAL  78           HA       VAL  78   8.478 -11.481   1.182
  615    HB   VAL  78           HB       VAL  78  10.766 -12.765   2.685
  616   HG11  VAL  78          1HG1      VAL  78  10.965 -13.048   0.297
  617   HG12  VAL  78          2HG1      VAL  78  12.136 -11.851   0.849
  618   HG13  VAL  78          3HG1      VAL  78  10.658 -11.331   0.038
  619   HG21  VAL  78          3HG2      VAL  78  10.201 -10.640   3.710
  620   HG22  VAL  78          1HG2      VAL  78  10.233  -9.849   2.135
  621   HG23  VAL  78          2HG2      VAL  78  11.718 -10.505   2.822
  622    H    LYS  79           H        LYS  79   8.291 -14.272   3.200
  623    HA   LYS  79           HA       LYS  79   8.843 -16.353   1.444
  624    HB2  LYS  79           2HB      LYS  79   7.359 -17.706   2.902
  625    HB3  LYS  79           1HB      LYS  79   8.507 -16.730   3.811
  626    HG2  LYS  79           2HG      LYS  79   6.759 -15.084   4.258
  627    HG3  LYS  79           1HG      LYS  79   5.608 -16.058   3.344
  628    HD2  LYS  79           2HD      LYS  79   5.892 -17.891   4.933
  629    HD3  LYS  79           1HD      LYS  79   7.058 -16.927   5.841
  630    HE2  LYS  79           2HE      LYS  79   5.330 -15.260   6.296
  631    HE3  LYS  79           1HE      LYS  79   4.164 -16.210   5.378
  632    HZ1  LYS  79           3HZ      LYS  79   4.406 -17.995   6.986
  633    HZ2  LYS  79           1HZ      LYS  79   3.929 -16.563   7.749
  634    HZ3  LYS  79           2HZ      LYS  79   5.532 -17.087   7.865
  635    H    ASN  80           H        ASN  80   6.138 -14.192   1.500
  636    HA   ASN  80           HA       ASN  80   4.165 -15.811   0.314
  637    HB2  ASN  80           2HB      ASN  80   4.594 -12.830   0.363
  638    HB3  ASN  80           1HB      ASN  80   3.240 -13.563  -0.480
  639   HD21  ASN  80          1HD2      ASN  80   1.914 -12.339   0.904
  640   HD22  ASN  80          2HD2      ASN  80   1.565 -12.906   2.492
  641    H    SER  81           H        SER  81   6.671 -13.769  -1.050
  642    HA   SER  81           HA       SER  81   7.722 -13.770  -3.038
  643    HB2  SER  81           2HB      SER  81   6.260 -16.348  -3.614
  644    HB3  SER  81           1HB      SER  81   7.751 -15.779  -4.367
  645    HG   SER  81           HG       SER  81   7.423 -16.369  -1.604
  646    H    SER  82           H        SER  82   4.613 -15.235  -4.050
  647    HA   SER  82           HA       SER  82   4.770 -13.620  -6.451
  648    HB2  SER  82           2HB      SER  82   2.789 -15.782  -5.718
  649    HB3  SER  82           1HB      SER  82   3.075 -15.117  -7.326
  650    HG   SER  82           HG       SER  82   5.198 -15.952  -7.219
  651    H    VAL  83           H        VAL  83   4.047 -12.186  -4.038
  652    HA   VAL  83           HA       VAL  83   1.634 -10.981  -5.154
  653    HB   VAL  83           HB       VAL  83   0.784 -12.327  -3.300
  654   HG11  VAL  83          1HG1      VAL  83   1.488 -12.081  -1.042
  655   HG12  VAL  83          2HG1      VAL  83   2.525 -10.717  -1.461
  656   HG13  VAL  83          3HG1      VAL  83   2.936 -12.332  -2.025
  657   HG21  VAL  83          3HG2      VAL  83  -0.339 -10.222  -3.717
  658   HG22  VAL  83          1HG2      VAL  83   0.822  -9.374  -2.689
  659   HG23  VAL  83          2HG2      VAL  83  -0.293 -10.538  -1.978
  660    H    GLN  84           H        GLN  84   1.819  -8.849  -5.351
  661    HA   GLN  84           HA       GLN  84   3.889  -7.473  -3.767
  662    HB2  GLN  84           2HB      GLN  84   3.284  -7.087  -6.708
  663    HB3  GLN  84           1HB      GLN  84   4.332  -6.042  -5.765
  664    HG2  GLN  84           2HG      GLN  84   5.795  -7.443  -6.904
  665    HG3  GLN  84           1HG      GLN  84   5.707  -8.142  -5.289
  666   HE21  GLN  84          1HE2      GLN  84   6.358 -10.154  -6.030
  667   HE22  GLN  84          2HE2      GLN  84   5.327 -11.179  -6.955
  668    H    PHE  85           H        PHE  85   3.474  -5.283  -3.290
  669    HA   PHE  85           HA       PHE  85   0.667  -4.498  -3.685
  670    HB2  PHE  85           2HB      PHE  85   2.563  -3.901  -1.418
  671    HB3  PHE  85           1HB      PHE  85   1.073  -2.996  -1.671
  672    HD1  PHE  85           1HD      PHE  85  -1.112  -4.190  -1.572
  673    HD2  PHE  85           2HD      PHE  85   2.538  -6.030  -0.393
  674    HE1  PHE  85           1HE      PHE  85  -2.379  -5.903  -0.341
  675    HE2  PHE  85           2HE      PHE  85   1.273  -7.745   0.841
  676    HZ   PHE  85           HZ       PHE  85  -1.183  -7.684   0.865
  677    H    HIS  86           H        HIS  86   0.301  -2.822  -4.910
  678    HA   HIS  86           HA       HIS  86   2.548  -1.021  -5.542
  679    HB2  HIS  86           2HB      HIS  86   1.708  -2.401  -7.436
  680    HB3  HIS  86           1HB      HIS  86   0.119  -1.687  -7.219
  681    HD1  HIS  86           1HD      HIS  86  -0.054  -0.489  -9.435
  682    HD2  HIS  86           2HD      HIS  86   3.427   0.448  -7.344
  683    HE1  HIS  86           1HE      HIS  86   1.022   1.393 -10.705
  684    HE2  HIS  86           2HE      HIS  86   3.132   1.943  -9.445
  685    H    VAL  87           H        VAL  87   2.292   0.688  -4.215
  686    HA   VAL  87           HA       VAL  87  -0.419   1.663  -3.709
  687    HB   VAL  87           HB       VAL  87   2.194   2.392  -2.381
  688   HG11  VAL  87          1HG1      VAL  87   0.689   4.311  -2.430
  689   HG12  VAL  87          2HG1      VAL  87   0.847   3.674  -0.793
  690   HG13  VAL  87          3HG1      VAL  87  -0.600   3.325  -1.741
  691   HG21  VAL  87          3HG2      VAL  87   1.243   1.267  -0.428
  692   HG22  VAL  87          1HG2      VAL  87   1.391   0.167  -1.799
  693   HG23  VAL  87          2HG2      VAL  87  -0.182   0.839  -1.373
  694    H    ILE  88           H        ILE  88  -1.166   3.131  -5.011
  695    HA   ILE  88           HA       ILE  88   0.690   4.958  -6.359
  696    HB   ILE  88           HB       ILE  88  -2.173   4.224  -6.988
  697   HG12  ILE  88          2HG1      ILE  88   0.394   3.715  -8.506
  698   HG13  ILE  88          1HG1      ILE  88  -0.448   2.522  -7.521
  699   HG21  ILE  88          1HG2      ILE  88  -1.913   5.595  -9.007
  700   HG22  ILE  88          2HG2      ILE  88  -0.334   6.130  -8.429
  701   HG23  ILE  88          3HG2      ILE  88  -1.791   6.562  -7.534
  702   HD11  ILE  88          3HD1      ILE  88  -1.532   3.856  -9.990
  703   HD12  ILE  88          1HD1      ILE  88  -2.379   2.666  -9.002
  704   HD13  ILE  88          2HD1      ILE  88  -0.917   2.206  -9.876
  705    H    PHE  89           H        PHE  89   0.461   7.152  -6.190
  706    HA   PHE  89           HA       PHE  89  -1.164   8.024  -3.916
  707    HB2  PHE  89           2HB      PHE  89   1.338   9.114  -5.173
  708    HB3  PHE  89           1HB      PHE  89   0.387  10.028  -4.007
  709    HD1  PHE  89           2HD      PHE  89  -0.183   8.824  -1.810
  710    HD2  PHE  89           1HD      PHE  89   2.975   7.679  -4.414
  711    HE1  PHE  89           2HE      PHE  89   0.886   7.601   0.030
  712    HE2  PHE  89           1HE      PHE  89   4.046   6.445  -2.577
  713    HZ   PHE  89           HZ       PHE  89   2.983   6.412  -0.366
  714    H    ASP  90           H        ASP  90  -3.086   8.759  -4.627
  715    HA   ASP  90           HA       ASP  90  -3.203  10.452  -7.014
  716    HB2  ASP  90           2HB      ASP  90  -5.397   9.367  -5.229
  717    HB3  ASP  90           1HB      ASP  90  -5.676  10.408  -6.618
  718    H    GLU  91           H        GLU  91  -2.965  12.617  -6.746
  719    HA   GLU  91           HA       GLU  91  -3.129  13.609  -4.021
  720    HB2  GLU  91           2HB      GLU  91  -2.080  15.663  -4.908
  721    HB3  GLU  91           1HB      GLU  91  -1.134  14.217  -5.204
  722    HG2  GLU  91           2HG      GLU  91  -1.835  14.182  -7.511
  723    HG3  GLU  91           1HG      GLU  91  -2.896  15.566  -7.234
  724    H    GLU  92           H        GLU  92  -4.940  14.327  -3.288
  725    HA   GLU  92           HA       GLU  92  -6.556  16.144  -4.901
  726    HB2  GLU  92           2HB      GLU  92  -7.697  13.842  -3.293
  727    HB3  GLU  92           1HB      GLU  92  -8.628  15.054  -4.164
  728    HG2  GLU  92           2HG      GLU  92  -7.493  14.252  -6.259
  729    HG3  GLU  92           1HG      GLU  92  -6.859  12.913  -5.308
  Start of MODEL    4
    1    H1   GLY   1           1HT      GLY   1   2.195 -24.644 -20.700
    2    H2   GLY   1           2HT      GLY   1   1.701 -26.188 -20.236
    3    H3   GLY   1           3HT      GLY   1   3.056 -25.999 -21.229
    4    HA2  GLY   1           1HA      GLY   1   3.742 -26.501 -18.982
    5    HA3  GLY   1           2HA      GLY   1   4.249 -24.887 -19.457
    6    H    SER   2           H        SER   2   2.408 -23.191 -18.983
    7    HA   SER   2           HA       SER   2   2.067 -23.306 -16.125
    8    HB2  SER   2           2HB      SER   2   1.294 -21.131 -18.085
    9    HB3  SER   2           1HB      SER   2   1.383 -20.969 -16.330
   10    HG   SER   2           HG       SER   2   3.442 -21.167 -18.221
   11    H    ALA   3           H        ALA   3   0.550 -25.198 -16.432
   12    HA   ALA   3           HA       ALA   3  -2.094 -24.723 -17.403
   13    HB1  ALA   3           1HB      ALA   3  -2.620 -26.894 -16.400
   14    HB2  ALA   3           2HB      ALA   3  -1.055 -26.898 -15.586
   15    HB3  ALA   3           3HB      ALA   3  -1.136 -26.968 -17.348
   16    H    MET   4           H        MET   4  -0.702 -25.047 -14.160
   17    HA   MET   4           HA       MET   4  -3.028 -23.616 -13.054
   18    HB2  MET   4           2HB      MET   4  -0.870 -25.190 -11.626
   19    HB3  MET   4           1HB      MET   4  -2.241 -24.407 -10.856
   20    HG2  MET   4           2HG      MET   4  -3.764 -25.901 -12.029
   21    HG3  MET   4           1HG      MET   4  -2.396 -26.676 -12.828
   22    HE1  MET   4           3HE      MET   4  -3.144 -29.077 -11.998
   23    HE2  MET   4           1HE      MET   4  -4.562 -28.344 -11.245
   24    HE3  MET   4           2HE      MET   4  -3.544 -29.447 -10.321
   25    H    GLY   5           H        GLY   5  -0.291 -22.882 -14.423
   26    HA2  GLY   5           2HA      GLY   5   0.842 -20.820 -14.337
   27    HA3  GLY   5           1HA      GLY   5   0.268 -20.601 -12.688
   28    H    HIS   6           H        HIS   6   2.871 -20.086 -13.168
   29    HA   HIS   6           HA       HIS   6   4.109 -22.154 -11.526
   30    HB2  HIS   6           2HB      HIS   6   4.654 -22.612 -13.969
   31    HB3  HIS   6           1HB      HIS   6   5.544 -21.095 -13.964
   32    HD1  HIS   6           1HD      HIS   6   7.957 -21.692 -13.919
   33    HD2  HIS   6           2HD      HIS   6   5.712 -24.087 -11.366
   34    HE1  HIS   6           1HE      HIS   6   9.616 -23.180 -12.753
   35    HE2  HIS   6           2HE      HIS   6   8.231 -24.667 -11.261
   36    H    MET   7           H        MET   7   4.129 -18.953 -12.918
   37    HA   MET   7           HA       MET   7   5.383 -17.976 -10.447
   38    HB2  MET   7           2HB      MET   7   5.842 -16.916 -13.246
   39    HB3  MET   7           1HB      MET   7   6.397 -16.126 -11.777
   40    HG2  MET   7           2HG      MET   7   7.240 -18.853 -12.728
   41    HG3  MET   7           1HG      MET   7   8.176 -17.371 -12.891
   42    HE1  MET   7           3HE      MET   7   7.654 -15.917 -10.109
   43    HE2  MET   7           1HE      MET   7   9.246 -16.058 -10.854
   44    HE3  MET   7           2HE      MET   7   9.020 -16.513  -9.165
   45    HA   PRO   8           HA       PRO   8   1.255 -16.019 -11.281
   46    HB2  PRO   8           2HB      PRO   8   0.404 -16.844  -8.658
   47    HB3  PRO   8           1HB      PRO   8  -0.200 -17.391 -10.222
   48    HG2  PRO   8           2HG      PRO   8   1.197 -18.981  -8.475
   49    HG3  PRO   8           1HG      PRO   8   1.128 -19.247 -10.226
   50    HD2  PRO   8           2HD      PRO   8   3.274 -17.951  -8.587
   51    HD3  PRO   8           1HD      PRO   8   3.425 -19.071  -9.959
   52    H    ALA   9           H        ALA   9   2.734 -14.139 -11.032
   53    HA   ALA   9           HA       ALA   9   3.080 -13.094  -8.357
   54    HB1  ALA   9           1HB      ALA   9   4.863 -12.831 -10.018
   55    HB2  ALA   9           2HB      ALA   9   4.278 -11.268  -9.443
   56    HB3  ALA   9           3HB      ALA   9   3.780 -11.869 -11.025
   57    H    VAL  10           H        VAL  10   1.403 -12.208  -7.397
   58    HA   VAL  10           HA       VAL  10  -0.573 -10.730  -8.985
   59    HB   VAL  10           HB       VAL  10  -0.748 -11.629  -6.101
   60   HG11  VAL  10          1HG1      VAL  10  -2.839 -10.535  -7.977
   61   HG12  VAL  10          2HG1      VAL  10  -2.160  -9.720  -6.566
   62   HG13  VAL  10          3HG1      VAL  10  -3.149 -11.166  -6.360
   63   HG21  VAL  10          3HG2      VAL  10  -0.636 -13.553  -7.582
   64   HG22  VAL  10          1HG2      VAL  10  -1.935 -12.887  -8.569
   65   HG23  VAL  10          2HG2      VAL  10  -2.256 -13.380  -6.907
   66    H    ASP  11           H        ASP  11  -0.354  -8.577  -9.034
   67    HA   ASP  11           HA       ASP  11   0.854  -7.308  -6.677
   68    HB2  ASP  11           2HB      ASP  11   1.772  -5.592  -8.048
   69    HB3  ASP  11           1HB      ASP  11   2.171  -7.122  -8.810
   70    H    VAL  12           H        VAL  12  -0.391  -6.124  -5.506
   71    HA   VAL  12           HA       VAL  12  -3.081  -5.463  -6.421
   72    HB   VAL  12           HB       VAL  12  -1.788  -5.304  -3.692
   73   HG11  VAL  12          1HG1      VAL  12  -3.556  -3.612  -3.987
   74   HG12  VAL  12          2HG1      VAL  12  -3.977  -4.843  -2.797
   75   HG13  VAL  12          3HG1      VAL  12  -4.685  -4.900  -4.413
   76   HG21  VAL  12          3HG2      VAL  12  -3.819  -7.230  -4.811
   77   HG22  VAL  12          1HG2      VAL  12  -3.224  -7.209  -3.151
   78   HG23  VAL  12          2HG2      VAL  12  -2.124  -7.585  -4.479
   79    H    GLU  13           H        GLU  13  -3.855  -3.370  -6.630
   80    HA   GLU  13           HA       GLU  13  -1.845  -1.257  -6.326
   81    HB2  GLU  13           2HB      GLU  13  -3.274   0.074  -7.878
   82    HB3  GLU  13           1HB      GLU  13  -2.601  -1.379  -8.598
   83    HG2  GLU  13           2HG      GLU  13  -4.730  -2.513  -8.366
   84    HG3  GLU  13           1HG      GLU  13  -5.412  -1.102  -7.558
   85    H    ILE  14           H        ILE  14  -2.019  -0.188  -4.518
   86    HA   ILE  14           HA       ILE  14  -4.679   0.300  -3.369
   87    HB   ILE  14           HB       ILE  14  -1.959   0.689  -2.077
   88   HG12  ILE  14          2HG1      ILE  14  -3.989  -1.548  -1.811
   89   HG13  ILE  14          1HG1      ILE  14  -2.342  -1.681  -2.417
   90   HG21  ILE  14          1HG2      ILE  14  -3.669   2.162  -1.160
   91   HG22  ILE  14          2HG2      ILE  14  -3.225   0.920   0.010
   92   HG23  ILE  14          3HG2      ILE  14  -4.735   0.784  -0.891
   93   HD11  ILE  14          3HD1      ILE  14  -2.506  -2.575  -0.172
   94   HD12  ILE  14          1HD1      ILE  14  -3.156  -1.045   0.417
   95   HD13  ILE  14          2HD1      ILE  14  -1.496  -1.131  -0.176
   96    H    HIS  15           H        HIS  15  -5.207   2.510  -2.724
   97    HA   HIS  15           HA       HIS  15  -3.516   4.547  -4.012
   98    HB2  HIS  15           2HB      HIS  15  -6.540   4.493  -4.100
   99    HB3  HIS  15           1HB      HIS  15  -5.496   5.706  -4.831
  100    HD1  HIS  15           1HD      HIS  15  -6.950   2.365  -5.383
  101    HD2  HIS  15           2HD      HIS  15  -4.058   4.781  -7.136
  102    HE1  HIS  15           1HE      HIS  15  -6.496   1.345  -7.634
  103    HE2  HIS  15           2HE      HIS  15  -4.908   2.947  -8.753
  104    H    PHE  16           H        PHE  16  -3.302   6.455  -2.924
  105    HA   PHE  16           HA       PHE  16  -5.040   6.985  -0.628
  106    HB2  PHE  16           2HB      PHE  16  -2.014   7.013  -0.555
  107    HB3  PHE  16           1HB      PHE  16  -3.037   7.701   0.692
  108    HD1  PHE  16           2HD      PHE  16  -4.965   5.894   1.443
  109    HD2  PHE  16           1HD      PHE  16  -1.070   5.022  -0.017
  110    HE1  PHE  16           2HE      PHE  16  -5.025   3.723   2.595
  111    HE2  PHE  16           1HE      PHE  16  -1.122   2.848   1.128
  112    HZ   PHE  16           HZ       PHE  16  -3.101   2.198   2.439
  113    HA   PRO  17           HA       PRO  17  -4.984  11.093  -2.512
  114    HB2  PRO  17           2HB      PRO  17  -5.787  12.413  -0.213
  115    HB3  PRO  17           1HB      PRO  17  -6.885  11.679  -1.385
  116    HG2  PRO  17           2HG      PRO  17  -5.865  10.574   1.204
  117    HG3  PRO  17           1HG      PRO  17  -7.504  10.507   0.525
  118    HD2  PRO  17           2HD      PRO  17  -5.914   8.385   0.392
  119    HD3  PRO  17           1HD      PRO  17  -6.938   8.831  -0.983
  120    H    LEU  18           H        LEU  18  -3.114  11.934  -2.854
  121    HA   LEU  18           HA       LEU  18  -0.756  11.794  -1.535
  122    HB2  LEU  18           2HB      LEU  18  -1.320  12.709  -3.847
  123    HB3  LEU  18           1HB      LEU  18  -1.649  14.234  -3.068
  124    HG   LEU  18           HG       LEU  18   0.518  14.255  -4.143
  125   HD11  LEU  18          1HD1      LEU  18   0.808  14.252  -1.152
  126   HD12  LEU  18          2HD1      LEU  18   0.314  15.614  -2.159
  127   HD13  LEU  18          3HD1      LEU  18   1.946  14.958  -2.299
  128   HD21  LEU  18          3HD2      LEU  18   1.153  11.997  -4.186
  129   HD22  LEU  18          1HD2      LEU  18   1.104  11.871  -2.427
  130   HD23  LEU  18          2HD2      LEU  18   2.358  12.832  -3.206
  131    H    LYS  19           H        LYS  19  -3.078  14.469  -1.215
  132    HA   LYS  19           HA       LYS  19  -1.401  15.849   0.636
  133    HB2  LYS  19           2HB      LYS  19  -3.609  17.252   0.894
  134    HB3  LYS  19           1HB      LYS  19  -2.587  17.397  -0.523
  135    HG2  LYS  19           2HG      LYS  19  -4.722  17.297  -1.401
  136    HG3  LYS  19           1HG      LYS  19  -4.150  15.642  -1.566
  137    HD2  LYS  19           2HD      LYS  19  -5.391  14.992   0.415
  138    HD3  LYS  19           1HD      LYS  19  -5.925  16.661   0.653
  139    HE2  LYS  19           2HE      LYS  19  -6.943  16.519  -1.647
  140    HE3  LYS  19           1HE      LYS  19  -6.576  14.798  -1.604
  141    HZ1  LYS  19           3HZ      LYS  19  -7.995  14.558   0.315
  142    HZ2  LYS  19           1HZ      LYS  19  -8.857  15.258  -0.959
  143    HZ3  LYS  19           2HZ      LYS  19  -8.321  16.217   0.326
  144    H    ARG  20           H        ARG  20  -3.733  13.383   1.074
  145    HA   ARG  20           HA       ARG  20  -4.233  14.296   3.815
  146    HB2  ARG  20           2HB      ARG  20  -6.017  13.364   1.977
  147    HB3  ARG  20           1HB      ARG  20  -5.679  11.909   2.906
  148    HG2  ARG  20           2HG      ARG  20  -6.495  12.807   4.880
  149    HG3  ARG  20           1HG      ARG  20  -6.328  14.469   4.309
  150    HD2  ARG  20           2HD      ARG  20  -8.154  14.146   2.755
  151    HD3  ARG  20           1HD      ARG  20  -8.289  12.455   3.224
  152    HE   ARG  20           HE       ARG  20  -8.580  14.129   5.489
  153   HH11  ARG  20          1HH1      ARG  20 -10.260  13.051   2.622
  154   HH12  ARG  20          2HH1      ARG  20 -11.842  13.308   3.287
  155   HH21  ARG  20          1HH2      ARG  20 -10.665  14.426   6.406
  156   HH22  ARG  20          2HH2      ARG  20 -12.072  14.076   5.445
  157    H    ILE  21           H        ILE  21  -2.927  11.538   2.017
  158    HA   ILE  21           HA       ILE  21  -2.394   9.952   4.332
  159    HB   ILE  21           HB       ILE  21  -2.441   8.933   2.120
  160   HG12  ILE  21          2HG1      ILE  21  -0.398   7.573   2.256
  161   HG13  ILE  21          1HG1      ILE  21   0.325   8.760   3.335
  162   HG21  ILE  21          1HG2      ILE  21  -1.556  10.737   0.784
  163   HG22  ILE  21          2HG2      ILE  21  -0.600   9.278   0.519
  164   HG23  ILE  21          3HG2      ILE  21   0.021  10.566   1.550
  165   HD11  ILE  21          3HD1      ILE  21  -2.139   7.145   3.943
  166   HD12  ILE  21          1HD1      ILE  21  -1.317   8.264   5.030
  167   HD13  ILE  21          2HD1      ILE  21  -0.509   6.785   4.514
  168    H    ALA  22           H        ALA  22  -0.834  12.631   2.801
  169    HA   ALA  22           HA       ALA  22   1.691  12.324   4.131
  170    HB1  ALA  22           1HB      ALA  22   0.526  14.739   2.750
  171    HB2  ALA  22           2HB      ALA  22   1.475  13.476   1.968
  172    HB3  ALA  22           3HB      ALA  22   2.215  14.499   3.197
  173    H    ALA  23           H        ALA  23  -1.351  13.336   5.106
  174    HA   ALA  23           HA       ALA  23  -0.465  15.413   6.915
  175    HB1  ALA  23           1HB      ALA  23  -2.804  15.638   7.517
  176    HB2  ALA  23           2HB      ALA  23  -3.200  14.186   6.598
  177    HB3  ALA  23           3HB      ALA  23  -2.620  15.626   5.764
  178    H    GLU  24           H        GLU  24  -1.378  15.252   9.231
  179    HA   GLU  24           HA       GLU  24  -0.098  13.013  10.453
  180    HB2  GLU  24           2HB      GLU  24  -1.833  15.161  11.693
  181    HB3  GLU  24           1HB      GLU  24  -0.860  14.008  12.587
  182    HG2  GLU  24           2HG      GLU  24   0.279  16.103  12.542
  183    HG3  GLU  24           1HG      GLU  24   1.166  14.963  11.533
  184    H    GLY  25           H        GLY  25  -3.440  14.163  10.351
  185    HA2  GLY  25           2HA      GLY  25  -4.436  11.695  11.479
  186    HA3  GLY  25           1HA      GLY  25  -5.396  13.072  10.963
  187    H    TYR  26           H        TYR  26  -3.391  10.450   9.645
  188    HA   TYR  26           HA       TYR  26  -4.476  10.595   7.045
  189    HB2  TYR  26           2HB      TYR  26  -3.551   8.212   6.842
  190    HB3  TYR  26           1HB      TYR  26  -2.403   9.495   7.200
  191    HD1  TYR  26           1HD      TYR  26  -4.258   6.645   8.667
  192    HD2  TYR  26           2HD      TYR  26  -1.140   9.487   9.215
  193    HE1  TYR  26           1HE      TYR  26  -3.460   5.386  10.624
  194    HE2  TYR  26           2HE      TYR  26  -0.336   8.237  11.171
  195    HH   TYR  26           HH       TYR  26  -1.266   6.642  12.849
  196    H    ALA  27           H        ALA  27  -5.461   8.861   9.933
  197    HA   ALA  27           HA       ALA  27  -7.363   7.204   8.558
  198    HB1  ALA  27           1HB      ALA  27  -6.264   6.483  10.639
  199    HB2  ALA  27           2HB      ALA  27  -8.024   6.438  10.753
  200    HB3  ALA  27           3HB      ALA  27  -7.125   7.752  11.511
  201    H    GLU  28           H        GLU  28  -7.383  10.398   9.015
  202    HA   GLU  28           HA       GLU  28 -10.141  10.748   9.806
  203    HB2  GLU  28           2HB      GLU  28  -8.043  12.366  10.016
  204    HB3  GLU  28           1HB      GLU  28  -8.551  12.867   8.413
  205    HG2  GLU  28           2HG      GLU  28 -10.436  12.852  10.741
  206    HG3  GLU  28           1HG      GLU  28  -9.376  14.215  10.405
  207    H    ASP  29           H        ASP  29  -8.299  10.218   6.951
  208    HA   ASP  29           HA       ASP  29 -10.237  11.173   5.067
  209    HB2  ASP  29           2HB      ASP  29  -7.853  11.045   4.493
  210    HB3  ASP  29           1HB      ASP  29  -7.891   9.302   4.688
  211    H    GLU  30           H        GLU  30 -12.094  10.215   4.677
  212    HA   GLU  30           HA       GLU  30 -12.812   7.726   5.788
  213    HB2  GLU  30           2HB      GLU  30 -14.295   9.746   5.114
  214    HB3  GLU  30           1HB      GLU  30 -14.273   9.036   3.506
  215    HG2  GLU  30           2HG      GLU  30 -16.265   8.368   4.680
  216    HG3  GLU  30           1HG      GLU  30 -15.222   6.968   4.424
  217    H    LEU  31           H        LEU  31 -11.708   8.764   2.656
  218    HA   LEU  31           HA       LEU  31 -12.256   6.460   1.164
  219    HB2  LEU  31           2HB      LEU  31 -11.548   8.692   0.275
  220    HB3  LEU  31           1HB      LEU  31  -9.922   8.334   0.842
  221    HG   LEU  31           HG       LEU  31  -9.894   6.347  -0.656
  222   HD11  LEU  31          1HD1      LEU  31 -12.277   5.971  -0.853
  223   HD12  LEU  31          2HD1      LEU  31 -11.557   6.212  -2.443
  224   HD13  LEU  31          3HD1      LEU  31 -12.470   7.514  -1.683
  225   HD21  LEU  31          3HD2      LEU  31  -9.520   7.584  -2.685
  226   HD22  LEU  31          1HD2      LEU  31  -8.897   8.484  -1.304
  227   HD23  LEU  31          2HD2      LEU  31 -10.424   8.959  -2.046
  228    H    LEU  32           H        LEU  32  -9.482   7.392   3.145
  229    HA   LEU  32           HA       LEU  32  -7.726   5.328   2.569
  230    HB2  LEU  32           2HB      LEU  32  -7.911   7.431   4.350
  231    HB3  LEU  32           1HB      LEU  32  -7.846   6.027   5.388
  232    HG   LEU  32           HG       LEU  32  -5.789   5.441   3.808
  233   HD11  LEU  32          1HD1      LEU  32  -6.103   7.411   2.392
  234   HD12  LEU  32          2HD1      LEU  32  -4.539   7.429   3.209
  235   HD13  LEU  32          3HD1      LEU  32  -5.854   8.449   3.795
  236   HD21  LEU  32          3HD2      LEU  32  -5.714   5.635   6.234
  237   HD22  LEU  32          1HD2      LEU  32  -5.667   7.392   6.095
  238   HD23  LEU  32          2HD2      LEU  32  -4.324   6.422   5.488
  239    H    LEU  33           H        LEU  33 -10.359   5.534   4.868
  240    HA   LEU  33           HA       LEU  33 -10.087   3.007   6.057
  241    HB2  LEU  33           2HB      LEU  33 -12.061   5.143   5.925
  242    HB3  LEU  33           1HB      LEU  33 -12.722   3.560   6.254
  243    HG   LEU  33           HG       LEU  33 -12.267   4.838   8.298
  244   HD11  LEU  33          1HD1      LEU  33 -12.187   2.402   8.358
  245   HD12  LEU  33          2HD1      LEU  33 -11.063   3.123   9.506
  246   HD13  LEU  33          3HD1      LEU  33 -10.464   2.454   7.990
  247   HD21  LEU  33          3HD2      LEU  33  -9.961   5.275   8.993
  248   HD22  LEU  33          1HD2      LEU  33 -10.380   6.158   7.525
  249   HD23  LEU  33          2HD2      LEU  33  -9.389   4.703   7.425
  250    H    ASN  34           H        ASN  34 -12.133   4.142   3.387
  251    HA   ASN  34           HA       ASN  34 -13.428   1.660   2.955
  252    HB2  ASN  34           2HB      ASN  34 -13.067   4.064   1.164
  253    HB3  ASN  34           1HB      ASN  34 -13.996   2.649   0.686
  254   HD21  ASN  34          1HD2      ASN  34 -13.884   5.469   2.668
  255   HD22  ASN  34          2HD2      ASN  34 -15.526   5.407   3.215
  256    H    GLN  35           H        GLN  35 -10.580   3.159   1.540
  257    HA   GLN  35           HA       GLN  35 -10.223   1.274  -0.540
  258    HB2  GLN  35           2HB      GLN  35  -8.439   3.286   0.765
  259    HB3  GLN  35           1HB      GLN  35  -7.808   2.185  -0.448
  260    HG2  GLN  35           2HG      GLN  35  -9.234   3.033  -2.120
  261    HG3  GLN  35           1HG      GLN  35 -10.212   3.909  -0.948
  262   HE21  GLN  35          1HE2      GLN  35  -8.190   5.124   0.547
  263   HE22  GLN  35          2HE2      GLN  35  -7.361   6.254  -0.456
  264    H    MET  36           H        MET  36  -8.839   1.534   2.716
  265    HA   MET  36           HA       MET  36  -7.361  -0.931   2.329
  266    HB2  MET  36           2HB      MET  36  -7.542   0.930   4.696
  267    HB3  MET  36           1HB      MET  36  -6.575  -0.538   4.672
  268    HG2  MET  36           2HG      MET  36  -6.216   1.964   3.065
  269    HG3  MET  36           1HG      MET  36  -5.087   1.199   4.180
  270    HE1  MET  36           3HE      MET  36  -5.324  -1.826   3.384
  271    HE2  MET  36           1HE      MET  36  -3.716  -1.123   3.544
  272    HE3  MET  36           2HE      MET  36  -4.133  -2.052   2.103
  273    H    GLY  37           H        GLY  37 -10.486  -0.161   3.221
  274    HA2  GLY  37           2HA      GLY  37 -10.817  -2.682   4.669
  275    HA3  GLY  37           1HA      GLY  37 -12.094  -1.537   4.254
  276    H    LYS  38           H        LYS  38 -11.091  -1.293   1.547
  277    HA   LYS  38           HA       LYS  38 -12.599  -3.237   0.196
  278    HB2  LYS  38           2HB      LYS  38 -12.137  -0.993  -0.673
  279    HB3  LYS  38           1HB      LYS  38 -10.424  -1.373  -0.766
  280    HG2  LYS  38           2HG      LYS  38 -10.921  -3.077  -2.467
  281    HG3  LYS  38           1HG      LYS  38 -12.626  -2.619  -2.400
  282    HD2  LYS  38           2HD      LYS  38 -12.003  -0.317  -3.035
  283    HD3  LYS  38           1HD      LYS  38 -10.320  -0.825  -3.167
  284    HE2  LYS  38           2HE      LYS  38 -11.339  -0.764  -5.358
  285    HE3  LYS  38           1HE      LYS  38 -10.963  -2.426  -4.916
  286    HZ1  LYS  38           3HZ      LYS  38 -13.638  -1.156  -4.711
  287    HZ2  LYS  38           1HZ      LYS  38 -13.270  -2.761  -4.323
  288    HZ3  LYS  38           2HZ      LYS  38 -13.149  -2.231  -5.921
  289    H    VAL  39           H        VAL  39  -9.075  -2.699  -0.033
  290    HA   VAL  39           HA       VAL  39  -8.828  -5.586  -0.537
  291    HB   VAL  39           HB       VAL  39  -8.078  -4.315  -2.446
  292   HG11  VAL  39          1HG1      VAL  39  -7.555  -2.194  -1.381
  293   HG12  VAL  39          2HG1      VAL  39  -6.187  -2.763  -2.339
  294   HG13  VAL  39          3HG1      VAL  39  -6.159  -2.921  -0.581
  295   HG21  VAL  39          3HG2      VAL  39  -5.700  -5.405  -0.952
  296   HG22  VAL  39          1HG2      VAL  39  -5.863  -5.232  -2.699
  297   HG23  VAL  39          2HG2      VAL  39  -6.885  -6.376  -1.828
  298    H    ASN  40           H        ASN  40  -8.478  -6.486   1.389
  299    HA   ASN  40           HA       ASN  40  -6.115  -6.071   2.866
  300    HB2  ASN  40           2HB      ASN  40  -7.397  -3.927   3.295
  301    HB3  ASN  40           1HB      ASN  40  -8.553  -4.908   4.191
  302   HD21  ASN  40          1HD2      ASN  40  -5.197  -3.965   4.007
  303   HD22  ASN  40          2HD2      ASN  40  -4.842  -4.204   5.681
  304    H    ASP  41           H        ASP  41  -9.360  -7.239   2.631
  305    HA   ASP  41           HA       ASP  41  -9.524  -8.696   5.024
  306    HB2  ASP  41           2HB      ASP  41 -11.465  -8.139   3.581
  307    HB3  ASP  41           1HB      ASP  41 -10.874  -9.289   2.386
  308    H    THR  42           H        THR  42  -8.493  -9.641   1.779
  309    HA   THR  42           HA       THR  42  -6.896 -11.759   2.962
  310    HB   THR  42           HB       THR  42  -8.889 -12.972   2.456
  311    HG1  THR  42           1HG      THR  42  -7.204 -14.232   1.905
  312   HG21  THR  42          3HG2      THR  42  -8.745 -11.813  -0.323
  313   HG22  THR  42          1HG2      THR  42  -9.959 -11.449   0.901
  314   HG23  THR  42          2HG2      THR  42  -9.870 -13.065   0.201
  315    HA   PRO  43           HA       PRO  43  -4.782  -9.585  -0.475
  316    HB2  PRO  43           2HB      PRO  43  -2.912  -8.277   0.901
  317    HB3  PRO  43           1HB      PRO  43  -4.582  -7.701   0.872
  318    HG2  PRO  43           2HG      PRO  43  -3.105  -9.126   3.027
  319    HG3  PRO  43           1HG      PRO  43  -4.370  -7.893   3.155
  320    HD2  PRO  43           2HD      PRO  43  -4.700 -10.695   3.374
  321    HD3  PRO  43           1HD      PRO  43  -5.986  -9.479   3.263
  322    H    GLU  44           H        GLU  44  -4.326 -12.250   1.029
  323    HA   GLU  44           HA       GLU  44  -2.980 -14.033   0.782
  324    HB2  GLU  44           2HB      GLU  44  -2.677 -13.138  -1.541
  325    HB3  GLU  44           1HB      GLU  44  -1.206 -12.354  -0.982
  326    HG2  GLU  44           2HG      GLU  44  -0.107 -14.382  -0.647
  327    HG3  GLU  44           1HG      GLU  44  -1.611 -15.300  -0.649
  328    H    GLU  45           H        GLU  45  -1.275 -11.015   1.446
  329    HA   GLU  45           HA       GLU  45   0.815 -12.382   2.893
  330    HB2  GLU  45           2HB      GLU  45   1.465 -10.406   1.736
  331    HB3  GLU  45           1HB      GLU  45   0.182  -9.469   2.476
  332    HG2  GLU  45           2HG      GLU  45   2.323  -8.886   3.429
  333    HG3  GLU  45           1HG      GLU  45   1.298  -9.643   4.641
  334    H    GLU  46           H        GLU  46  -0.681  -9.556   4.320
  335    HA   GLU  46           HA       GLU  46  -1.381 -11.253   6.594
  336    HB2  GLU  46           2HB      GLU  46  -0.045  -8.537   6.540
  337    HB3  GLU  46           1HB      GLU  46  -1.007  -9.055   7.938
  338    HG2  GLU  46           2HG      GLU  46   0.405 -11.086   8.082
  339    HG3  GLU  46           1HG      GLU  46   1.401 -10.426   6.788
  340    H    GLY  47           H        GLY  47  -2.346  -7.983   6.990
  341    HA2  GLY  47           2HA      GLY  47  -4.590  -7.755   5.397
  342    HA3  GLY  47           1HA      GLY  47  -5.108  -8.691   6.787
  343    H    MET  48           H        MET  48  -5.758  -7.614   8.542
  344    HA   MET  48           HA       MET  48  -6.068  -4.909   8.749
  345    HB2  MET  48           2HB      MET  48  -7.216  -6.396  10.244
  346    HB3  MET  48           1HB      MET  48  -5.697  -6.967  10.915
  347    HG2  MET  48           2HG      MET  48  -6.799  -5.478  12.444
  348    HG3  MET  48           1HG      MET  48  -5.276  -4.792  11.885
  349    HE1  MET  48           3HE      MET  48  -6.528  -2.648  13.163
  350    HE2  MET  48           1HE      MET  48  -6.694  -1.405  11.923
  351    HE3  MET  48           2HE      MET  48  -5.265  -2.441  11.952
  352    HA   PRO  49           HA       PRO  49  -1.783  -4.580  11.042
  353    HB2  PRO  49           2HB      PRO  49   0.028  -6.463  10.210
  354    HB3  PRO  49           1HB      PRO  49  -0.895  -6.589  11.713
  355    HG2  PRO  49           2HG      PRO  49  -1.455  -7.805   9.047
  356    HG3  PRO  49           1HG      PRO  49  -1.535  -8.562  10.645
  357    HD2  PRO  49           2HD      PRO  49  -3.736  -7.758   9.398
  358    HD3  PRO  49           1HD      PRO  49  -3.556  -7.529  11.153
  359    H    LEU  50           H        LEU  50  -2.133  -6.002   7.797
  360    HA   LEU  50           HA       LEU  50  -0.061  -4.597   6.564
  361    HB2  LEU  50           2HB      LEU  50  -2.573  -5.660   5.357
  362    HB3  LEU  50           1HB      LEU  50  -1.348  -4.793   4.450
  363    HG   LEU  50           HG       LEU  50  -1.265  -7.535   5.557
  364   HD11  LEU  50          1HD1      LEU  50  -0.306  -6.177   3.054
  365   HD12  LEU  50          2HD1      LEU  50  -1.703  -7.243   3.229
  366   HD13  LEU  50          3HD1      LEU  50  -0.071  -7.883   3.414
  367   HD21  LEU  50          3HD2      LEU  50   0.621  -6.544   6.708
  368   HD22  LEU  50          1HD2      LEU  50   1.170  -5.782   5.214
  369   HD23  LEU  50          2HD2      LEU  50   1.209  -7.537   5.374
  370    H    ARG  51           H        ARG  51  -3.495  -3.630   6.988
  371    HA   ARG  51           HA       ARG  51  -3.157  -1.289   5.453
  372    HB2  ARG  51           2HB      ARG  51  -5.181  -0.400   6.563
  373    HB3  ARG  51           1HB      ARG  51  -5.380  -1.990   5.868
  374    HG2  ARG  51           2HG      ARG  51  -4.989  -2.900   8.200
  375    HG3  ARG  51           1HG      ARG  51  -5.170  -1.237   8.757
  376    HD2  ARG  51           2HD      ARG  51  -7.224  -2.721   7.126
  377    HD3  ARG  51           1HD      ARG  51  -7.255  -2.592   8.883
  378    HE   ARG  51           HE       ARG  51  -7.162  -0.016   8.126
  379   HH11  ARG  51          1HH1      ARG  51  -9.193  -2.688   7.151
  380   HH12  ARG  51          2HH1      ARG  51 -10.559  -1.687   6.788
  381   HH21  ARG  51          1HH2      ARG  51  -8.962   1.311   7.656
  382   HH22  ARG  51          2HH2      ARG  51 -10.432   0.586   7.071
  383    H    ALA  52           H        ALA  52  -2.735  -1.881   8.922
  384    HA   ALA  52           HA       ALA  52  -1.875   0.753   9.532
  385    HB1  ALA  52           1HB      ALA  52  -2.393  -0.885  11.271
  386    HB2  ALA  52           2HB      ALA  52  -0.762  -0.245  11.473
  387    HB3  ALA  52           3HB      ALA  52  -1.000  -1.852  10.785
  388    H    TRP  53           H        TRP  53  -0.199  -2.094   8.410
  389    HA   TRP  53           HA       TRP  53   2.450  -1.244   8.529
  390    HB2  TRP  53           2HB      TRP  53   2.229  -3.487   8.417
  391    HB3  TRP  53           1HB      TRP  53   0.805  -3.383   7.451
  392    HD1  TRP  53           HD       TRP  53   4.296  -4.234   7.367
  393    HE1  TRP  53           1HE      TRP  53   5.055  -4.973   5.031
  394    HE3  TRP  53           3HE      TRP  53   0.168  -2.940   4.773
  395    HZ2  TRP  53           2HZ      TRP  53   4.022  -4.923   2.422
  396    HZ3  TRP  53           3HZ      TRP  53   0.115  -3.349   2.352
  397    HH2  TRP  53           HH       TRP  53   2.031  -4.331   1.210
  398    H    VAL  54           H        VAL  54   0.279  -1.334   5.676
  399    HA   VAL  54           HA       VAL  54   2.203  -0.069   4.011
  400    HB   VAL  54           HB       VAL  54  -0.075  -1.501   3.514
  401   HG11  VAL  54          1HG1      VAL  54  -0.603   1.326   2.621
  402   HG12  VAL  54          2HG1      VAL  54  -1.561   0.383   3.764
  403   HG13  VAL  54          3HG1      VAL  54  -1.483  -0.099   2.068
  404   HG21  VAL  54          3HG2      VAL  54   1.707   0.143   1.733
  405   HG22  VAL  54          1HG2      VAL  54   0.491  -0.974   1.103
  406   HG23  VAL  54          2HG2      VAL  54   1.815  -1.589   2.103
  407    H    ILE  55           H        ILE  55  -0.740   1.156   5.677
  408    HA   ILE  55           HA       ILE  55  -0.598   3.736   4.611
  409    HB   ILE  55           HB       ILE  55  -1.641   2.806   7.282
  410   HG12  ILE  55          2HG1      ILE  55  -3.033   3.672   4.737
  411   HG13  ILE  55          1HG1      ILE  55  -2.780   2.001   5.235
  412   HG21  ILE  55          1HG2      ILE  55  -1.928   5.539   6.028
  413   HG22  ILE  55          2HG2      ILE  55  -1.015   5.149   7.488
  414   HG23  ILE  55          3HG2      ILE  55  -2.768   4.968   7.473
  415   HD11  ILE  55          3HD1      ILE  55  -4.404   4.044   6.734
  416   HD12  ILE  55          1HD1      ILE  55  -4.196   2.349   7.172
  417   HD13  ILE  55          2HD1      ILE  55  -5.050   2.778   5.690
  418    H    LYS  56           H        LYS  56   1.072   2.355   7.422
  419    HA   LYS  56           HA       LYS  56   2.439   4.761   8.073
  420    HB2  LYS  56           2HB      LYS  56   3.004   1.873   8.707
  421    HB3  LYS  56           1HB      LYS  56   4.071   3.167   9.227
  422    HG2  LYS  56           2HG      LYS  56   1.164   2.873   9.965
  423    HG3  LYS  56           1HG      LYS  56   2.541   2.498  10.999
  424    HD2  LYS  56           2HD      LYS  56   1.819   5.217   9.905
  425    HD3  LYS  56           1HD      LYS  56   1.594   4.671  11.564
  426    HE2  LYS  56           2HE      LYS  56   4.237   4.989  10.140
  427    HE3  LYS  56           1HE      LYS  56   3.579   6.075  11.360
  428    HZ1  LYS  56           3HZ      LYS  56   3.669   4.260  12.962
  429    HZ2  LYS  56           1HZ      LYS  56   5.197   4.587  12.319
  430    HZ3  LYS  56           2HZ      LYS  56   4.333   3.238  11.790
  431    H    CYS  57           H        CYS  57   3.385   1.894   6.154
  432    HA   CYS  57           HA       CYS  57   5.989   2.756   5.597
  433    HB2  CYS  57           2HB      CYS  57   5.201   0.436   5.210
  434    HB3  CYS  57           1HB      CYS  57   4.255   0.979   3.820
  435    HG   CYS  57           HG       CYS  57   7.336  -0.019   3.891
  436    H    ALA  58           H        ALA  58   2.992   3.247   3.774
  437    HA   ALA  58           HA       ALA  58   4.128   4.710   1.646
  438    HB1  ALA  58           1HB      ALA  58   1.891   3.676   1.590
  439    HB2  ALA  58           2HB      ALA  58   1.862   5.379   1.135
  440    HB3  ALA  58           3HB      ALA  58   1.324   4.886   2.741
  441    H    HIS  59           H        HIS  59   2.739   5.709   4.744
  442    HA   HIS  59           HA       HIS  59   2.767   8.483   4.304
  443    HB2  HIS  59           2HB      HIS  59   1.612   7.211   6.180
  444    HB3  HIS  59           1HB      HIS  59   3.178   7.121   6.975
  445    HD1  HIS  59           1HD      HIS  59   1.538   8.453   8.795
  446    HD2  HIS  59           2HD      HIS  59   2.924  10.553   5.497
  447    HE1  HIS  59           1HE      HIS  59   1.236  10.878   9.371
  448    HE2  HIS  59           2HE      HIS  59   1.997  12.133   7.328
  449    H    GLU  60           H        GLU  60   5.162   6.355   5.835
  450    HA   GLU  60           HA       GLU  60   7.060   8.363   6.419
  451    HB2  GLU  60           2HB      GLU  60   7.547   5.429   5.867
  452    HB3  GLU  60           1HB      GLU  60   8.636   6.519   6.710
  453    HG2  GLU  60           2HG      GLU  60   5.883   5.778   7.668
  454    HG3  GLU  60           1HG      GLU  60   7.374   5.005   8.202
  455    H    ALA  61           H        ALA  61   6.639   6.196   3.662
  456    HA   ALA  61           HA       ALA  61   9.023   6.855   2.316
  457    HB1  ALA  61           1HB      ALA  61   6.429   5.850   1.149
  458    HB2  ALA  61           2HB      ALA  61   7.711   4.844   1.825
  459    HB3  ALA  61           3HB      ALA  61   8.012   5.798   0.372
  460    H    LEU  62           H        LEU  62   5.737   8.160   2.076
  461    HA   LEU  62           HA       LEU  62   6.300   9.829  -0.143
  462    HB2  LEU  62           2HB      LEU  62   4.029   9.117   0.423
  463    HB3  LEU  62           1HB      LEU  62   4.106  10.037   1.913
  464    HG   LEU  62           HG       LEU  62   4.483  11.466  -0.689
  465   HD11  LEU  62          1HD1      LEU  62   2.048  11.839  -0.764
  466   HD12  LEU  62          2HD1      LEU  62   1.849  10.607   0.482
  467   HD13  LEU  62          3HD1      LEU  62   2.508  10.170  -1.096
  468   HD21  LEU  62          3HD2      LEU  62   4.830  12.682   1.399
  469   HD22  LEU  62          1HD2      LEU  62   3.214  12.229   1.939
  470   HD23  LEU  62          2HD2      LEU  62   3.413  13.290   0.542
  471    H    GLU  63           H        GLU  63   6.128  10.488   3.357
  472    HA   GLU  63           HA       GLU  63   6.542  13.264   3.082
  473    HB2  GLU  63           2HB      GLU  63   6.804  11.343   5.371
  474    HB3  GLU  63           1HB      GLU  63   7.349  13.005   5.553
  475    HG2  GLU  63           2HG      GLU  63   4.567  12.178   4.739
  476    HG3  GLU  63           1HG      GLU  63   5.056  12.659   6.365
  477    H    LYS  64           H        LYS  64   8.728  10.593   3.016
  478    HA   LYS  64           HA       LYS  64  11.102  12.054   3.643
  479    HB2  LYS  64           2HB      LYS  64  10.950   9.607   3.877
  480    HB3  LYS  64           1HB      LYS  64  10.755   9.455   2.136
  481    HG2  LYS  64           2HG      LYS  64  12.997  10.461   1.840
  482    HG3  LYS  64           1HG      LYS  64  13.187  10.469   3.595
  483    HD2  LYS  64           2HD      LYS  64  12.718   8.023   1.896
  484    HD3  LYS  64           1HD      LYS  64  14.275   8.529   2.549
  485    HE2  LYS  64           2HE      LYS  64  13.384   8.302   4.823
  486    HE3  LYS  64           1HE      LYS  64  11.838   7.775   4.158
  487    HZ1  LYS  64           3HZ      LYS  64  14.432   6.377   3.808
  488    HZ2  LYS  64           1HZ      LYS  64  12.944   5.869   3.182
  489    HZ3  LYS  64           2HZ      LYS  64  13.193   5.904   4.851
  490    H    ASN  65           H        ASN  65   9.287  11.360   0.755
  491    HA   ASN  65           HA       ASN  65  10.795  13.339  -0.719
  492    HB2  ASN  65           2HB      ASN  65  10.973  11.712  -2.702
  493    HB3  ASN  65           1HB      ASN  65  12.129  11.518  -1.392
  494   HD21  ASN  65          1HD2      ASN  65   9.265  10.215  -2.892
  495   HD22  ASN  65          2HD2      ASN  65   9.395   8.622  -2.238
  496    HA   PRO  66           HA       PRO  66   6.205  13.112  -1.168
  497    HB2  PRO  66           2HB      PRO  66   5.620  15.640  -0.532
  498    HB3  PRO  66           1HB      PRO  66   6.102  14.477   0.702
  499    HG2  PRO  66           2HG      PRO  66   7.753  16.582  -0.652
  500    HG3  PRO  66           1HG      PRO  66   7.659  16.175   1.073
  501    HD2  PRO  66           2HD      PRO  66   9.636  15.273  -0.591
  502    HD3  PRO  66           1HD      PRO  66   9.096  14.400   0.853
  503    H    LYS  67           H        LYS  67   8.158  13.542  -3.334
  504    HA   LYS  67           HA       LYS  67   6.468  15.196  -5.089
  505    HB2  LYS  67           2HB      LYS  67   9.465  14.791  -5.275
  506    HB3  LYS  67           1HB      LYS  67   8.485  15.721  -6.403
  507    HG2  LYS  67           2HG      LYS  67   7.919  17.298  -4.656
  508    HG3  LYS  67           1HG      LYS  67   8.823  16.348  -3.478
  509    HD2  LYS  67           2HD      LYS  67  10.879  16.750  -4.770
  510    HD3  LYS  67           1HD      LYS  67   9.958  17.745  -5.900
  511    HE2  LYS  67           2HE      LYS  67  10.267  18.273  -2.944
  512    HE3  LYS  67           1HE      LYS  67  11.153  19.098  -4.228
  513    HZ1  LYS  67           3HZ      LYS  67   9.023  19.908  -5.092
  514    HZ2  LYS  67           1HZ      LYS  67   9.290  20.424  -3.505
  515    HZ3  LYS  67           2HZ      LYS  67   8.214  19.161  -3.811
  516    H    ILE  68           H        ILE  68   6.668  12.270  -4.302
  517    HA   ILE  68           HA       ILE  68   7.176  11.058  -6.910
  518    HB   ILE  68           HB       ILE  68   6.689   8.895  -5.701
  519   HG12  ILE  68          2HG1      ILE  68   7.061  10.536  -3.183
  520   HG13  ILE  68          1HG1      ILE  68   5.474  10.058  -3.787
  521   HG21  ILE  68          1HG2      ILE  68   8.928   9.541  -6.228
  522   HG22  ILE  68          2HG2      ILE  68   8.908   8.857  -4.603
  523   HG23  ILE  68          3HG2      ILE  68   9.002  10.604  -4.825
  524   HD11  ILE  68          3HD1      ILE  68   7.698   8.196  -2.984
  525   HD12  ILE  68          1HD1      ILE  68   6.113   7.710  -3.585
  526   HD13  ILE  68          2HD1      ILE  68   6.248   8.560  -2.045
  527    H    ARG  69           H        ARG  69   5.492   8.995  -6.986
  528    HA   ARG  69           HA       ARG  69   2.817  10.222  -6.994
  529    HB2  ARG  69           2HB      ARG  69   3.908  10.352  -9.245
  530    HB3  ARG  69           1HB      ARG  69   3.969   8.596  -9.264
  531    HG2  ARG  69           2HG      ARG  69   1.498   8.555  -9.087
  532    HG3  ARG  69           1HG      ARG  69   1.501  10.316  -9.211
  533    HD2  ARG  69           2HD      ARG  69   1.055   9.333 -11.379
  534    HD3  ARG  69           1HD      ARG  69   2.621  10.143 -11.391
  535    HE   ARG  69           HE       ARG  69   2.807   7.347 -10.758
  536   HH11  ARG  69          1HH1      ARG  69   2.624   9.664 -13.383
  537   HH12  ARG  69          2HH1      ARG  69   3.381   8.603 -14.529
  538   HH21  ARG  69          1HH2      ARG  69   3.786   5.966 -12.259
  539   HH22  ARG  69          2HH2      ARG  69   4.015   6.489 -13.899
  540    H    GLU  70           H        GLU  70   4.809   7.375  -6.792
  541    HA   GLU  70           HA       GLU  70   2.876   6.087  -5.160
  542    HB2  GLU  70           2HB      GLU  70   2.497   4.101  -6.492
  543    HB3  GLU  70           1HB      GLU  70   1.944   5.525  -7.366
  544    HG2  GLU  70           2HG      GLU  70   4.654   4.329  -7.859
  545    HG3  GLU  70           1HG      GLU  70   3.210   3.700  -8.647
  546    H    VAL  71           H        VAL  71   3.660   3.863  -4.514
  547    HA   VAL  71           HA       VAL  71   6.540   3.470  -4.800
  548    HB   VAL  71           HB       VAL  71   6.170   4.870  -2.749
  549   HG11  VAL  71          1HG1      VAL  71   4.710   2.442  -1.741
  550   HG12  VAL  71          2HG1      VAL  71   4.021   4.036  -2.049
  551   HG13  VAL  71          3HG1      VAL  71   5.202   3.821  -0.756
  552   HG21  VAL  71          3HG2      VAL  71   7.255   2.099  -2.278
  553   HG22  VAL  71          1HG2      VAL  71   7.565   3.502  -1.257
  554   HG23  VAL  71          2HG2      VAL  71   8.144   3.478  -2.921
  555    H    TYR  72           H        TYR  72   7.134   1.232  -4.245
  556    HA   TYR  72           HA       TYR  72   4.751  -0.475  -4.310
  557    HB2  TYR  72           2HB      TYR  72   6.279  -2.212  -5.354
  558    HB3  TYR  72           1HB      TYR  72   5.851  -0.832  -6.352
  559    HD1  TYR  72           2HD      TYR  72   7.528   0.881  -6.883
  560    HD2  TYR  72           1HD      TYR  72   8.553  -2.609  -4.675
  561    HE1  TYR  72           2HE      TYR  72   9.903   1.286  -7.361
  562    HE2  TYR  72           1HE      TYR  72  10.931  -2.215  -5.150
  563    HH   TYR  72           HH       TYR  72  12.110   0.703  -6.377
  564    H    LEU  73           H        LEU  73   4.434  -1.956  -2.889
  565    HA   LEU  73           HA       LEU  73   6.407  -2.272  -0.733
  566    HB2  LEU  73           2HB      LEU  73   3.481  -2.033  -0.815
  567    HB3  LEU  73           1HB      LEU  73   4.060  -3.329   0.211
  568    HG   LEU  73           HG       LEU  73   3.718  -1.398   1.561
  569   HD11  LEU  73          1HD1      LEU  73   5.909  -1.095   2.535
  570   HD12  LEU  73          2HD1      LEU  73   6.672  -1.720   1.075
  571   HD13  LEU  73          3HD1      LEU  73   5.675  -2.780   2.072
  572   HD21  LEU  73          3HD2      LEU  73   3.808   0.289  -0.212
  573   HD22  LEU  73          1HD2      LEU  73   5.561   0.099  -0.293
  574   HD23  LEU  73          2HD2      LEU  73   4.807   0.728   1.175
  575    H    LYS  74           H        LYS  74   7.013  -4.270  -0.077
  576    HA   LYS  74           HA       LYS  74   5.745  -6.581  -1.357
  577    HB2  LYS  74           2HB      LYS  74   8.182  -5.791  -2.142
  578    HB3  LYS  74           1HB      LYS  74   8.654  -6.717  -0.726
  579    HG2  LYS  74           2HG      LYS  74   6.882  -7.868  -2.854
  580    HG3  LYS  74           1HG      LYS  74   8.640  -7.917  -2.969
  581    HD2  LYS  74           2HD      LYS  74   8.819  -9.276  -1.043
  582    HD3  LYS  74           1HD      LYS  74   7.141  -8.977  -0.584
  583    HE2  LYS  74           2HE      LYS  74   7.504 -11.225  -1.566
  584    HE3  LYS  74           1HE      LYS  74   6.345 -10.250  -2.465
  585    HZ1  LYS  74           3HZ      LYS  74   9.197 -10.653  -3.201
  586    HZ2  LYS  74           1HZ      LYS  74   8.075  -9.735  -4.069
  587    HZ3  LYS  74           2HZ      LYS  74   7.874 -11.405  -3.940
  588    HA   PRO  75           HA       PRO  75   4.545  -7.778   2.715
  589    HB2  PRO  75           2HB      PRO  75   5.493 -10.294   1.370
  590    HB3  PRO  75           1HB      PRO  75   4.133 -10.082   2.483
  591    HG2  PRO  75           2HG      PRO  75   3.676 -10.064  -0.095
  592    HG3  PRO  75           1HG      PRO  75   2.895  -8.858   0.937
  593    HD2  PRO  75           2HD      PRO  75   5.080  -8.538  -1.016
  594    HD3  PRO  75           1HD      PRO  75   3.902  -7.346  -0.440
  595    H    ARG  76           H        ARG  76   5.424  -8.007   4.595
  596    HA   ARG  76           HA       ARG  76   8.157  -7.987   5.167
  597    HB2  ARG  76           2HB      ARG  76   6.057  -9.145   6.984
  598    HB3  ARG  76           1HB      ARG  76   7.520  -8.286   7.439
  599    HG2  ARG  76           2HG      ARG  76   6.626  -6.209   6.908
  600    HG3  ARG  76           1HG      ARG  76   5.370  -6.902   5.883
  601    HD2  ARG  76           2HD      ARG  76   4.305  -6.160   7.874
  602    HD3  ARG  76           1HD      ARG  76   4.379  -7.919   7.946
  603    HE   ARG  76           HE       ARG  76   6.586  -6.639   9.262
  604   HH11  ARG  76          1HH1      ARG  76   3.301  -7.807   9.591
  605   HH12  ARG  76          2HH1      ARG  76   3.346  -7.833  11.329
  606   HH21  ARG  76          1HH2      ARG  76   6.663  -6.676  11.554
  607   HH22  ARG  76          2HH2      ARG  76   5.270  -7.190  12.448
  608    H    ALA  77           H        ALA  77   5.788 -10.575   4.933
  609    HA   ALA  77           HA       ALA  77   7.766 -12.630   5.420
  610    HB1  ALA  77           1HB      ALA  77   4.901 -12.835   4.490
  611    HB2  ALA  77           2HB      ALA  77   5.466 -12.987   6.155
  612    HB3  ALA  77           3HB      ALA  77   5.934 -14.188   4.952
  613    H    VAL  78           H        VAL  78   9.231 -12.028   3.780
  614    HA   VAL  78           HA       VAL  78   8.726 -11.946   1.039
  615    HB   VAL  78           HB       VAL  78  11.100 -12.568   0.718
  616   HG11  VAL  78          1HG1      VAL  78  10.601 -10.577   2.930
  617   HG12  VAL  78          2HG1      VAL  78  10.509 -10.258   1.198
  618   HG13  VAL  78          3HG1      VAL  78  12.056 -10.665   1.938
  619   HG21  VAL  78          3HG2      VAL  78  11.093 -12.976   3.709
  620   HG22  VAL  78          1HG2      VAL  78  12.523 -12.961   2.679
  621   HG23  VAL  78          2HG2      VAL  78  11.313 -14.229   2.487
  622    H    LYS  79           H        LYS  79   8.459 -14.550   3.141
  623    HA   LYS  79           HA       LYS  79   8.980 -16.803   1.582
  624    HB2  LYS  79           2HB      LYS  79   6.658 -16.528   3.489
  625    HB3  LYS  79           1HB      LYS  79   7.567 -17.981   3.104
  626    HG2  LYS  79           2HG      LYS  79   9.402 -17.312   4.383
  627    HG3  LYS  79           1HG      LYS  79   8.858 -15.634   4.447
  628    HD2  LYS  79           2HD      LYS  79   6.880 -16.411   5.764
  629    HD3  LYS  79           1HD      LYS  79   7.616 -18.014   5.819
  630    HE2  LYS  79           2HE      LYS  79   9.503 -17.175   7.030
  631    HE3  LYS  79           1HE      LYS  79   8.961 -15.513   6.815
  632    HZ1  LYS  79           3HZ      LYS  79   7.574 -17.608   8.398
  633    HZ2  LYS  79           1HZ      LYS  79   7.010 -16.031   8.169
  634    HZ3  LYS  79           2HZ      LYS  79   8.443 -16.300   9.024
  635    H    ASN  80           H        ASN  80   6.346 -14.518   1.553
  636    HA   ASN  80           HA       ASN  80   4.338 -16.135   0.424
  637    HB2  ASN  80           2HB      ASN  80   4.431 -13.603   1.430
  638    HB3  ASN  80           1HB      ASN  80   4.290 -13.274  -0.295
  639   HD21  ASN  80          1HD2      ASN  80   2.418 -12.739   1.795
  640   HD22  ASN  80          2HD2      ASN  80   0.967 -13.608   1.387
  641    H    SER  81           H        SER  81   6.762 -14.033  -0.982
  642    HA   SER  81           HA       SER  81   7.820 -14.063  -2.972
  643    HB2  SER  81           2HB      SER  81   6.255 -16.586  -3.534
  644    HB3  SER  81           1HB      SER  81   7.702 -16.039  -4.379
  645    HG   SER  81           HG       SER  81   7.463 -16.896  -1.681
  646    H    SER  82           H        SER  82   4.431 -15.068  -3.556
  647    HA   SER  82           HA       SER  82   4.535 -14.050  -6.231
  648    HB2  SER  82           2HB      SER  82   2.004 -14.734  -6.033
  649    HB3  SER  82           1HB      SER  82   3.268 -15.963  -6.095
  650    HG   SER  82           HG       SER  82   1.641 -15.162  -3.961
  651    H    VAL  83           H        VAL  83   3.176 -12.838  -3.210
  652    HA   VAL  83           HA       VAL  83   1.488 -10.998  -4.693
  653    HB   VAL  83           HB       VAL  83   0.621 -12.236  -2.699
  654   HG11  VAL  83          1HG1      VAL  83   1.165 -11.580  -0.492
  655   HG12  VAL  83          2HG1      VAL  83   2.190 -10.273  -1.078
  656   HG13  VAL  83          3HG1      VAL  83   2.678 -11.949  -1.325
  657   HG21  VAL  83          3HG2      VAL  83   0.507  -9.225  -2.602
  658   HG22  VAL  83          1HG2      VAL  83  -0.606 -10.310  -1.768
  659   HG23  VAL  83          2HG2      VAL  83  -0.547 -10.291  -3.531
  660    H    GLN  84           H        GLN  84   1.816  -8.929  -4.998
  661    HA   GLN  84           HA       GLN  84   3.826  -7.491  -3.394
  662    HB2  GLN  84           2HB      GLN  84   3.504  -7.504  -6.387
  663    HB3  GLN  84           1HB      GLN  84   4.161  -6.098  -5.569
  664    HG2  GLN  84           2HG      GLN  84   6.020  -7.302  -6.275
  665    HG3  GLN  84           1HG      GLN  84   5.874  -7.673  -4.562
  666   HE21  GLN  84          1HE2      GLN  84   3.845  -9.044  -7.063
  667   HE22  GLN  84          2HE2      GLN  84   4.425 -10.661  -6.900
  668    H    PHE  85           H        PHE  85   3.471  -5.137  -3.380
  669    HA   PHE  85           HA       PHE  85   0.682  -4.398  -3.978
  670    HB2  PHE  85           2HB      PHE  85   2.296  -3.603  -1.544
  671    HB3  PHE  85           1HB      PHE  85   0.720  -2.945  -1.960
  672    HD1  PHE  85           1HD      PHE  85  -1.292  -4.262  -1.669
  673    HD2  PHE  85           2HD      PHE  85   2.533  -5.830  -0.666
  674    HE1  PHE  85           1HE      PHE  85  -2.370  -6.056  -0.372
  675    HE2  PHE  85           2HE      PHE  85   1.462  -7.624   0.628
  676    HZ   PHE  85           HZ       PHE  85  -0.988  -7.738   0.786
  677    H    HIS  86           H        HIS  86   0.441  -2.551  -5.081
  678    HA   HIS  86           HA       HIS  86   2.748  -0.723  -5.262
  679    HB2  HIS  86           2HB      HIS  86   0.424  -1.129  -7.163
  680    HB3  HIS  86           1HB      HIS  86   1.577   0.191  -7.301
  681    HD1  HIS  86           1HD      HIS  86   3.664  -0.271  -8.597
  682    HD2  HIS  86           2HD      HIS  86   1.613  -3.734  -7.578
  683    HE1  HIS  86           1HE      HIS  86   4.838  -2.128  -9.812
  684    HE2  HIS  86           2HE      HIS  86   3.427  -4.167  -9.370
  685    H    VAL  87           H        VAL  87   2.497   0.916  -3.855
  686    HA   VAL  87           HA       VAL  87  -0.218   1.735  -3.151
  687    HB   VAL  87           HB       VAL  87   2.449   2.619  -2.028
  688   HG11  VAL  87          1HG1      VAL  87   0.767   4.365  -1.835
  689   HG12  VAL  87          2HG1      VAL  87   1.125   3.671  -0.256
  690   HG13  VAL  87          3HG1      VAL  87  -0.355   3.221  -1.100
  691   HG21  VAL  87          3HG2      VAL  87   1.936   0.297  -1.500
  692   HG22  VAL  87          1HG2      VAL  87   0.349   0.773  -0.895
  693   HG23  VAL  87          2HG2      VAL  87   1.808   1.308  -0.061
  694    H    ILE  88           H        ILE  88  -1.098   3.148  -4.436
  695    HA   ILE  88           HA       ILE  88   0.603   4.984  -5.943
  696    HB   ILE  88           HB       ILE  88  -2.254   4.113  -6.371
  697   HG12  ILE  88          2HG1      ILE  88   0.264   3.561  -7.960
  698   HG13  ILE  88          1HG1      ILE  88  -0.528   2.414  -6.882
  699   HG21  ILE  88          1HG2      ILE  88  -2.135   5.345  -8.487
  700   HG22  ILE  88          2HG2      ILE  88  -0.551   5.968  -8.021
  701   HG23  ILE  88          3HG2      ILE  88  -1.981   6.405  -7.086
  702   HD11  ILE  88          3HD1      ILE  88  -1.055   1.956  -9.205
  703   HD12  ILE  88          1HD1      ILE  88  -1.711   3.581  -9.390
  704   HD13  ILE  88          2HD1      ILE  88  -2.500   2.428  -8.312
  705    H    PHE  89           H        PHE  89   0.409   7.134  -5.774
  706    HA   PHE  89           HA       PHE  89  -1.290   8.070  -3.592
  707    HB2  PHE  89           2HB      PHE  89   1.191   9.228  -4.848
  708    HB3  PHE  89           1HB      PHE  89   0.214  10.066  -3.649
  709    HD1  PHE  89           1HD      PHE  89  -0.420   8.528  -1.581
  710    HD2  PHE  89           2HD      PHE  89   3.017   8.086  -4.046
  711    HE1  PHE  89           1HE      PHE  89   0.699   7.291   0.217
  712    HE2  PHE  89           2HE      PHE  89   4.148   6.847  -2.247
  713    HZ   PHE  89           HZ       PHE  89   2.968   6.451  -0.130
  714    H    ASP  90           H        ASP  90  -3.162   8.858  -4.268
  715    HA   ASP  90           HA       ASP  90  -3.552   9.921  -6.914
  716    HB2  ASP  90           2HB      ASP  90  -5.320   8.722  -5.549
  717    HB3  ASP  90           1HB      ASP  90  -5.413  10.157  -4.545
  718    H    GLU  91           H        GLU  91  -2.838  11.903  -7.425
  719    HA   GLU  91           HA       GLU  91  -2.549  13.842  -5.292
  720    HB2  GLU  91           2HB      GLU  91  -1.522  15.256  -7.129
  721    HB3  GLU  91           1HB      GLU  91  -0.663  13.782  -6.707
  722    HG2  GLU  91           2HG      GLU  91  -1.509  12.669  -8.660
  723    HG3  GLU  91           1HG      GLU  91  -2.526  14.055  -9.053
  724    H    GLU  92           H        GLU  92  -4.323  14.794  -4.741
  725    HA   GLU  92           HA       GLU  92  -6.124  15.885  -6.754
  726    HB2  GLU  92           2HB      GLU  92  -6.233  15.875  -3.734
  727    HB3  GLU  92           1HB      GLU  92  -7.433  16.657  -4.753
  728    HG2  GLU  92           2HG      GLU  92  -7.939  14.474  -5.776
  729    HG3  GLU  92           1HG      GLU  92  -6.791  13.718  -4.670
  Start of MODEL    5
    1    H1   GLY   1           1HT      GLY   1   3.558 -22.928 -25.221
    2    H2   GLY   1           2HT      GLY   1   3.172 -21.981 -23.875
    3    H3   GLY   1           3HT      GLY   1   3.314 -23.656 -23.715
    4    HA2  GLY   1           1HA      GLY   1   5.670 -23.522 -24.275
    5    HA3  GLY   1           2HA      GLY   1   5.504 -21.776 -24.370
    6    H    SER   2           H        SER   2   6.982 -21.404 -22.712
    7    HA   SER   2           HA       SER   2   6.652 -22.678 -20.154
    8    HB2  SER   2           2HB      SER   2   8.470 -20.391 -20.940
    9    HB3  SER   2           1HB      SER   2   8.598 -21.379 -19.486
   10    HG   SER   2           HG       SER   2   8.625 -23.153 -21.281
   11    H    ALA   3           H        ALA   3   6.741 -19.212 -21.059
   12    HA   ALA   3           HA       ALA   3   4.712 -18.750 -18.985
   13    HB1  ALA   3           1HB      ALA   3   6.941 -18.268 -18.068
   14    HB2  ALA   3           2HB      ALA   3   5.924 -16.831 -18.155
   15    HB3  ALA   3           3HB      ALA   3   7.195 -17.085 -19.350
   16    H    MET   4           H        MET   4   6.589 -16.649 -21.157
   17    HA   MET   4           HA       MET   4   5.977 -14.964 -22.543
   18    HB2  MET   4           2HB      MET   4   3.640 -16.815 -23.009
   19    HB3  MET   4           1HB      MET   4   3.884 -15.330 -23.916
   20    HG2  MET   4           2HG      MET   4   5.797 -17.649 -23.808
   21    HG3  MET   4           1HG      MET   4   4.679 -17.294 -25.126
   22    HE1  MET   4           3HE      MET   4   7.763 -17.750 -25.624
   23    HE2  MET   4           1HE      MET   4   8.132 -16.428 -26.733
   24    HE3  MET   4           2HE      MET   4   6.629 -17.333 -26.908
   25    H    GLY   5           H        GLY   5   5.757 -13.873 -20.362
   26    HA2  GLY   5           2HA      GLY   5   4.715 -12.127 -19.273
   27    HA3  GLY   5           1HA      GLY   5   3.403 -12.245 -20.436
   28    H    HIS   6           H        HIS   6   4.584 -14.792 -18.308
   29    HA   HIS   6           HA       HIS   6   2.160 -14.609 -16.690
   30    HB2  HIS   6           2HB      HIS   6   2.952 -17.029 -18.315
   31    HB3  HIS   6           1HB      HIS   6   1.832 -17.112 -16.960
   32    HD1  HIS   6           1HD      HIS   6   1.974 -16.466 -20.537
   33    HD2  HIS   6           2HD      HIS   6  -0.564 -15.478 -17.398
   34    HE1  HIS   6           1HE      HIS   6  -0.181 -15.735 -21.612
   35    HE2  HIS   6           2HE      HIS   6  -1.658 -15.034 -19.696
   36    H    MET   7           H        MET   7   2.844 -14.546 -14.687
   37    HA   MET   7           HA       MET   7   4.665 -16.551 -13.667
   38    HB2  MET   7           2HB      MET   7   6.269 -14.960 -12.741
   39    HB3  MET   7           1HB      MET   7   6.213 -14.814 -14.490
   40    HG2  MET   7           2HG      MET   7   4.742 -12.848 -14.240
   41    HG3  MET   7           1HG      MET   7   4.919 -12.973 -12.493
   42    HE1  MET   7           3HE      MET   7   8.777 -12.312 -12.051
   43    HE2  MET   7           1HE      MET   7   8.015 -13.881 -12.293
   44    HE3  MET   7           2HE      MET   7   7.265 -12.695 -11.228
   45    HA   PRO   8           HA       PRO   8   2.086 -15.985 -10.142
   46    HB2  PRO   8           2HB      PRO   8   3.649 -16.799  -8.106
   47    HB3  PRO   8           1HB      PRO   8   3.060 -17.917  -9.343
   48    HG2  PRO   8           2HG      PRO   8   5.735 -16.592  -9.106
   49    HG3  PRO   8           1HG      PRO   8   5.354 -18.276  -9.514
   50    HD2  PRO   8           2HD      PRO   8   5.973 -16.396 -11.381
   51    HD3  PRO   8           1HD      PRO   8   4.898 -17.769 -11.710
   52    H    ALA   9           H        ALA   9   3.265 -13.531 -10.936
   53    HA   ALA   9           HA       ALA   9   3.888 -12.264  -8.352
   54    HB1  ALA   9           1HB      ALA   9   4.861 -10.426  -9.644
   55    HB2  ALA   9           2HB      ALA   9   4.452 -11.262 -11.143
   56    HB3  ALA   9           3HB      ALA   9   5.633 -11.964 -10.037
   57    H    VAL  10           H        VAL  10   2.247 -11.230  -7.456
   58    HA   VAL  10           HA       VAL  10   0.066 -10.307  -9.213
   59    HB   VAL  10           HB       VAL  10  -0.135 -11.220  -6.337
   60   HG11  VAL  10          1HG1      VAL  10  -2.287 -10.435  -8.296
   61   HG12  VAL  10          2HG1      VAL  10  -1.773  -9.504  -6.890
   62   HG13  VAL  10          3HG1      VAL  10  -2.553 -11.070  -6.674
   63   HG21  VAL  10          3HG2      VAL  10  -1.013 -12.584  -8.880
   64   HG22  VAL  10          1HG2      VAL  10  -1.351 -13.150  -7.244
   65   HG23  VAL  10          2HG2      VAL  10   0.310 -13.088  -7.831
   66    H    ASP  11           H        ASP  11  -0.091  -8.176  -9.336
   67    HA   ASP  11           HA       ASP  11   0.986  -6.505  -7.192
   68    HB2  ASP  11           2HB      ASP  11  -0.202  -5.629  -9.837
   69    HB3  ASP  11           1HB      ASP  11   0.730  -4.640  -8.723
   70    H    VAL  12           H        VAL  12  -0.356  -5.940  -5.602
   71    HA   VAL  12           HA       VAL  12  -3.195  -5.496  -6.253
   72    HB   VAL  12           HB       VAL  12  -1.947  -5.739  -3.507
   73   HG11  VAL  12          1HG1      VAL  12  -4.806  -5.659  -4.452
   74   HG12  VAL  12          2HG1      VAL  12  -3.981  -4.485  -3.421
   75   HG13  VAL  12          3HG1      VAL  12  -4.318  -6.110  -2.820
   76   HG21  VAL  12          3HG2      VAL  12  -2.928  -7.985  -3.421
   77   HG22  VAL  12          1HG2      VAL  12  -1.725  -7.851  -4.704
   78   HG23  VAL  12          2HG2      VAL  12  -3.444  -7.821  -5.099
   79    H    GLU  13           H        GLU  13  -3.885  -3.412  -6.361
   80    HA   GLU  13           HA       GLU  13  -1.800  -1.431  -5.828
   81    HB2  GLU  13           2HB      GLU  13  -4.229  -1.086  -7.579
   82    HB3  GLU  13           1HB      GLU  13  -2.792  -0.074  -7.524
   83    HG2  GLU  13           2HG      GLU  13  -1.485  -2.066  -8.313
   84    HG3  GLU  13           1HG      GLU  13  -3.028  -2.870  -8.579
   85    H    ILE  14           H        ILE  14  -2.014  -0.218  -4.138
   86    HA   ILE  14           HA       ILE  14  -4.697   0.305  -3.079
   87    HB   ILE  14           HB       ILE  14  -2.067   0.980  -1.743
   88   HG12  ILE  14          2HG1      ILE  14  -3.807  -1.478  -1.367
   89   HG13  ILE  14          1HG1      ILE  14  -2.194  -1.460  -2.068
   90   HG21  ILE  14          1HG2      ILE  14  -4.875   0.731  -0.679
   91   HG22  ILE  14          2HG2      ILE  14  -4.003   2.234  -0.969
   92   HG23  ILE  14          3HG2      ILE  14  -3.444   1.117   0.275
   93   HD11  ILE  14          3HD1      ILE  14  -2.916  -0.811   0.790
   94   HD12  ILE  14          1HD1      ILE  14  -1.293  -0.700   0.101
   95   HD13  ILE  14          2HD1      ILE  14  -2.103  -2.264   0.204
   96    H    HIS  15           H        HIS  15  -5.541   2.350  -3.165
   97    HA   HIS  15           HA       HIS  15  -3.805   4.424  -4.328
   98    HB2  HIS  15           2HB      HIS  15  -6.773   3.971  -4.620
   99    HB3  HIS  15           1HB      HIS  15  -5.978   5.459  -5.115
  100    HD1  HIS  15           1HD      HIS  15  -6.727   2.048  -6.233
  101    HD2  HIS  15           2HD      HIS  15  -4.122   5.105  -7.307
  102    HE1  HIS  15           1HE      HIS  15  -5.894   1.451  -8.526
  103    HE2  HIS  15           2HE      HIS  15  -4.413   3.371  -9.207
  104    H    PHE  16           H        PHE  16  -3.184   5.835  -2.876
  105    HA   PHE  16           HA       PHE  16  -5.008   6.514  -0.665
  106    HB2  PHE  16           2HB      PHE  16  -2.023   6.764  -0.954
  107    HB3  PHE  16           1HB      PHE  16  -2.913   7.459   0.388
  108    HD1  PHE  16           1HD      PHE  16  -4.794   5.355   1.085
  109    HD2  PHE  16           2HD      PHE  16  -0.721   5.082  -0.108
  110    HE1  PHE  16           1HE      PHE  16  -4.569   3.256   2.345
  111    HE2  PHE  16           2HE      PHE  16  -0.489   2.980   1.146
  112    HZ   PHE  16           HZ       PHE  16  -2.415   2.065   2.378
  113    HA   PRO  17           HA       PRO  17  -5.281  10.599  -2.363
  114    HB2  PRO  17           2HB      PRO  17  -6.103  12.009  -0.243
  115    HB3  PRO  17           1HB      PRO  17  -7.129  10.765  -0.967
  116    HG2  PRO  17           2HG      PRO  17  -5.421  10.621   1.482
  117    HG3  PRO  17           1HG      PRO  17  -7.060   9.999   1.221
  118    HD2  PRO  17           2HD      PRO  17  -4.773   8.474   1.071
  119    HD3  PRO  17           1HD      PRO  17  -6.295   8.071   0.257
  120    H    LEU  18           H        LEU  18  -3.533  11.730  -2.927
  121    HA   LEU  18           HA       LEU  18  -1.058  11.587  -1.820
  122    HB2  LEU  18           2HB      LEU  18  -1.648  12.447  -4.077
  123    HB3  LEU  18           1HB      LEU  18  -2.134  13.958  -3.347
  124    HG   LEU  18           HG       LEU  18   0.144  13.882  -4.487
  125   HD11  LEU  18          1HD1      LEU  18  -0.472  15.731  -3.068
  126   HD12  LEU  18          2HD1      LEU  18   1.216  15.300  -2.796
  127   HD13  LEU  18          3HD1      LEU  18  -0.015  14.816  -1.630
  128   HD21  LEU  18          3HD2      LEU  18   0.848  12.359  -1.987
  129   HD22  LEU  18          1HD2      LEU  18   2.009  13.068  -3.108
  130   HD23  LEU  18          2HD2      LEU  18   0.945  11.772  -3.649
  131    H    LYS  19           H        LYS  19  -3.414  14.197  -1.161
  132    HA   LYS  19           HA       LYS  19  -1.482  15.661   0.384
  133    HB2  LYS  19           2HB      LYS  19  -4.437  16.018  -0.056
  134    HB3  LYS  19           1HB      LYS  19  -3.531  17.042   1.044
  135    HG2  LYS  19           2HG      LYS  19  -3.687  18.238  -0.965
  136    HG3  LYS  19           1HG      LYS  19  -2.041  17.609  -0.921
  137    HD2  LYS  19           2HD      LYS  19  -2.532  15.949  -2.528
  138    HD3  LYS  19           1HD      LYS  19  -4.269  16.182  -2.349
  139    HE2  LYS  19           2HE      LYS  19  -2.369  18.249  -3.428
  140    HE3  LYS  19           1HE      LYS  19  -3.298  17.128  -4.421
  141    HZ1  LYS  19           3HZ      LYS  19  -5.337  18.063  -3.536
  142    HZ2  LYS  19           1HZ      LYS  19  -4.387  19.292  -4.217
  143    HZ3  LYS  19           2HZ      LYS  19  -4.456  19.109  -2.538
  144    H    ARG  20           H        ARG  20  -3.942  13.286   1.143
  145    HA   ARG  20           HA       ARG  20  -3.844  14.100   3.950
  146    HB2  ARG  20           2HB      ARG  20  -6.009  13.559   2.490
  147    HB3  ARG  20           1HB      ARG  20  -5.682  11.938   3.089
  148    HG2  ARG  20           2HG      ARG  20  -6.040  12.528   5.295
  149    HG3  ARG  20           1HG      ARG  20  -5.743  14.239   4.993
  150    HD2  ARG  20           2HD      ARG  20  -8.156  12.654   4.111
  151    HD3  ARG  20           1HD      ARG  20  -8.103  13.847   5.409
  152    HE   ARG  20           HE       ARG  20  -7.406  14.685   2.690
  153   HH11  ARG  20          1HH1      ARG  20  -9.655  14.784   5.376
  154   HH12  ARG  20          2HH1      ARG  20 -10.550  16.124   4.733
  155   HH21  ARG  20          1HH2      ARG  20  -8.581  16.445   1.853
  156   HH22  ARG  20          2HH2      ARG  20  -9.942  17.066   2.736
  157    H    ILE  21           H        ILE  21  -2.769  11.513   1.876
  158    HA   ILE  21           HA       ILE  21  -2.165   9.714   4.028
  159    HB   ILE  21           HB       ILE  21  -2.276   8.820   1.779
  160   HG12  ILE  21          2HG1      ILE  21  -0.122   7.581   1.708
  161   HG13  ILE  21          1HG1      ILE  21   0.534   8.696   2.900
  162   HG21  ILE  21          1HG2      ILE  21  -0.376   9.337   0.174
  163   HG22  ILE  21          2HG2      ILE  21  -0.043  10.736   1.197
  164   HG23  ILE  21          3HG2      ILE  21  -1.602  10.586   0.391
  165   HD11  ILE  21          3HD1      ILE  21  -1.761   6.793   3.304
  166   HD12  ILE  21          1HD1      ILE  21  -1.156   7.936   4.505
  167   HD13  ILE  21          2HD1      ILE  21  -0.125   6.625   3.941
  168    H    ALA  22           H        ALA  22  -0.632  12.488   2.597
  169    HA   ALA  22           HA       ALA  22   1.875  12.174   3.964
  170    HB1  ALA  22           1HB      ALA  22   2.344  14.437   3.191
  171    HB2  ALA  22           2HB      ALA  22   0.662  14.631   2.695
  172    HB3  ALA  22           3HB      ALA  22   1.695  13.460   1.875
  173    H    ALA  23           H        ALA  23  -1.191  12.905   4.951
  174    HA   ALA  23           HA       ALA  23  -0.488  14.955   6.883
  175    HB1  ALA  23           1HB      ALA  23  -2.575  15.152   5.620
  176    HB2  ALA  23           2HB      ALA  23  -2.874  15.035   7.352
  177    HB3  ALA  23           3HB      ALA  23  -3.139  13.633   6.316
  178    H    GLU  24           H        GLU  24  -0.984  14.738   9.101
  179    HA   GLU  24           HA       GLU  24  -0.161  12.176  10.151
  180    HB2  GLU  24           2HB      GLU  24  -0.166  13.463  12.334
  181    HB3  GLU  24           1HB      GLU  24   0.932  14.054  11.094
  182    HG2  GLU  24           2HG      GLU  24  -0.838  15.725  10.474
  183    HG3  GLU  24           1HG      GLU  24  -1.711  15.219  11.917
  184    H    GLY  25           H        GLY  25  -3.066  13.846   9.616
  185    HA2  GLY  25           2HA      GLY  25  -4.532  12.110  11.482
  186    HA3  GLY  25           1HA      GLY  25  -5.192  13.516  10.655
  187    H    TYR  26           H        TYR  26  -3.333  10.791   9.392
  188    HA   TYR  26           HA       TYR  26  -4.818  10.574   7.036
  189    HB2  TYR  26           2HB      TYR  26  -3.665   8.383   6.743
  190    HB3  TYR  26           1HB      TYR  26  -2.569   9.700   7.151
  191    HD1  TYR  26           2HD      TYR  26  -4.224   6.665   8.449
  192    HD2  TYR  26           1HD      TYR  26  -1.290   9.661   9.171
  193    HE1  TYR  26           2HE      TYR  26  -3.343   5.339  10.321
  194    HE2  TYR  26           1HE      TYR  26  -0.398   8.340  11.044
  195    HH   TYR  26           HH       TYR  26  -1.371   5.081  11.630
  196    H    ALA  27           H        ALA  27  -5.369   9.224  10.182
  197    HA   ALA  27           HA       ALA  27  -7.024   7.055   9.413
  198    HB1  ALA  27           1HB      ALA  27  -5.910   7.163  11.586
  199    HB2  ALA  27           2HB      ALA  27  -7.652   6.951  11.765
  200    HB3  ALA  27           3HB      ALA  27  -6.922   8.534  12.038
  201    H    GLU  28           H        GLU  28  -7.558  10.401   9.435
  202    HA   GLU  28           HA       GLU  28 -10.401  10.303   9.944
  203    HB2  GLU  28           2HB      GLU  28  -8.981  12.275  10.517
  204    HB3  GLU  28           1HB      GLU  28  -8.722  12.545   8.802
  205    HG2  GLU  28           2HG      GLU  28 -11.325  12.613   8.709
  206    HG3  GLU  28           1HG      GLU  28 -11.177  12.945  10.435
  207    H    ASP  29           H        ASP  29  -8.366   9.754   7.272
  208    HA   ASP  29           HA       ASP  29 -10.197  10.828   5.301
  209    HB2  ASP  29           2HB      ASP  29  -7.743  11.016   5.016
  210    HB3  ASP  29           1HB      ASP  29  -7.652   9.264   4.878
  211    H    GLU  30           H        GLU  30 -11.947   9.727   4.801
  212    HA   GLU  30           HA       GLU  30 -12.353   7.000   5.382
  213    HB2  GLU  30           2HB      GLU  30 -14.097   8.849   5.101
  214    HB3  GLU  30           1HB      GLU  30 -13.894   8.611   3.366
  215    HG2  GLU  30           2HG      GLU  30 -15.805   7.368   4.064
  216    HG3  GLU  30           1HG      GLU  30 -14.514   6.228   3.682
  217    H    LEU  31           H        LEU  31 -11.181   8.707   2.610
  218    HA   LEU  31           HA       LEU  31 -11.596   6.760   0.641
  219    HB2  LEU  31           2HB      LEU  31 -11.132   9.220   0.369
  220    HB3  LEU  31           1HB      LEU  31  -9.479   8.912   0.838
  221    HG   LEU  31           HG       LEU  31 -10.037   9.208  -1.649
  222   HD11  LEU  31          1HD1      LEU  31  -8.346   7.435  -2.218
  223   HD12  LEU  31          2HD1      LEU  31  -8.386   6.995  -0.507
  224   HD13  LEU  31          3HD1      LEU  31  -7.878   8.610  -0.992
  225   HD21  LEU  31          3HD2      LEU  31 -11.927   7.694  -1.777
  226   HD22  LEU  31          1HD2      LEU  31 -10.914   6.349  -1.254
  227   HD23  LEU  31          2HD2      LEU  31 -10.620   7.120  -2.812
  228    H    LEU  32           H        LEU  32  -8.972   7.501   2.881
  229    HA   LEU  32           HA       LEU  32  -7.116   5.541   2.150
  230    HB2  LEU  32           2HB      LEU  32  -7.160   7.565   3.889
  231    HB3  LEU  32           1HB      LEU  32  -7.574   6.281   5.007
  232    HG   LEU  32           HG       LEU  32  -5.450   5.166   3.905
  233   HD11  LEU  32          1HD1      LEU  32  -4.920   8.114   3.669
  234   HD12  LEU  32          2HD1      LEU  32  -5.045   6.965   2.336
  235   HD13  LEU  32          3HD1      LEU  32  -3.719   6.836   3.491
  236   HD21  LEU  32          3HD2      LEU  32  -5.391   7.263   6.063
  237   HD22  LEU  32          1HD2      LEU  32  -4.133   6.060   5.780
  238   HD23  LEU  32          2HD2      LEU  32  -5.747   5.548   6.275
  239    H    LEU  33           H        LEU  33  -9.818   5.585   4.377
  240    HA   LEU  33           HA       LEU  33  -9.536   3.017   5.483
  241    HB2  LEU  33           2HB      LEU  33 -10.924   5.042   6.235
  242    HB3  LEU  33           1HB      LEU  33 -12.140   4.473   5.117
  243    HG   LEU  33           HG       LEU  33 -11.093   2.695   7.295
  244   HD11  LEU  33          1HD1      LEU  33 -11.870   4.744   8.363
  245   HD12  LEU  33          2HD1      LEU  33 -12.970   3.403   8.682
  246   HD13  LEU  33          3HD1      LEU  33 -13.394   4.627   7.484
  247   HD21  LEU  33          3HD2      LEU  33 -12.384   1.662   5.484
  248   HD22  LEU  33          1HD2      LEU  33 -13.713   2.774   5.812
  249   HD23  LEU  33          2HD2      LEU  33 -13.238   1.586   7.026
  250    H    ASN  34           H        ASN  34 -11.459   4.219   2.754
  251    HA   ASN  34           HA       ASN  34 -12.801   1.846   2.158
  252    HB2  ASN  34           2HB      ASN  34 -12.063   4.248   0.527
  253    HB3  ASN  34           1HB      ASN  34 -12.759   2.841  -0.270
  254   HD21  ASN  34          1HD2      ASN  34 -13.318   5.454   1.942
  255   HD22  ASN  34          2HD2      ASN  34 -15.036   5.299   2.006
  256    H    GLN  35           H        GLN  35  -9.640   3.012   1.017
  257    HA   GLN  35           HA       GLN  35  -9.224   0.798  -0.724
  258    HB2  GLN  35           2HB      GLN  35  -7.544   2.974   0.386
  259    HB3  GLN  35           1HB      GLN  35  -6.712   1.551  -0.223
  260    HG2  GLN  35           2HG      GLN  35  -6.885   3.269  -1.910
  261    HG3  GLN  35           1HG      GLN  35  -7.775   1.828  -2.385
  262   HE21  GLN  35          1HE2      GLN  35  -7.961   5.162  -1.438
  263   HE22  GLN  35          2HE2      GLN  35  -9.635   5.375  -1.836
  264    H    MET  36           H        MET  36  -8.226   1.458   2.611
  265    HA   MET  36           HA       MET  36  -6.968  -1.158   2.742
  266    HB2  MET  36           2HB      MET  36  -7.138   1.021   4.824
  267    HB3  MET  36           1HB      MET  36  -6.240  -0.482   4.994
  268    HG2  MET  36           2HG      MET  36  -5.685   1.849   3.212
  269    HG3  MET  36           1HG      MET  36  -4.626   1.067   4.383
  270    HE1  MET  36           3HE      MET  36  -3.926  -2.364   2.485
  271    HE2  MET  36           1HE      MET  36  -5.052  -1.956   3.778
  272    HE3  MET  36           2HE      MET  36  -3.381  -1.392   3.847
  273    H    GLY  37           H        GLY  37 -10.003  -0.273   2.835
  274    HA2  GLY  37           2HA      GLY  37 -10.735  -2.268   4.851
  275    HA3  GLY  37           1HA      GLY  37 -11.853  -1.243   3.949
  276    H    LYS  38           H        LYS  38 -10.821  -1.605   1.402
  277    HA   LYS  38           HA       LYS  38 -11.961  -4.028   0.556
  278    HB2  LYS  38           2HB      LYS  38 -11.836  -2.216  -0.991
  279    HB3  LYS  38           1HB      LYS  38 -10.095  -2.086  -0.792
  280    HG2  LYS  38           2HG      LYS  38 -10.749  -3.098  -2.940
  281    HG3  LYS  38           1HG      LYS  38  -9.750  -4.164  -1.952
  282    HD2  LYS  38           2HD      LYS  38 -11.847  -5.281  -1.175
  283    HD3  LYS  38           1HD      LYS  38 -12.735  -4.306  -2.346
  284    HE2  LYS  38           2HE      LYS  38 -11.500  -5.290  -4.168
  285    HE3  LYS  38           1HE      LYS  38 -10.470  -6.169  -3.040
  286    HZ1  LYS  38           3HZ      LYS  38 -13.393  -6.569  -3.385
  287    HZ2  LYS  38           1HZ      LYS  38 -12.407  -7.408  -2.297
  288    HZ3  LYS  38           2HZ      LYS  38 -12.180  -7.596  -3.961
  289    H    VAL  39           H        VAL  39  -8.488  -3.123   0.376
  290    HA   VAL  39           HA       VAL  39  -7.893  -5.974   0.211
  291    HB   VAL  39           HB       VAL  39  -6.819  -4.623  -1.467
  292   HG11  VAL  39          1HG1      VAL  39  -5.524  -3.090   0.780
  293   HG12  VAL  39          2HG1      VAL  39  -6.756  -2.482  -0.329
  294   HG13  VAL  39          3HG1      VAL  39  -5.159  -2.917  -0.938
  295   HG21  VAL  39          3HG2      VAL  39  -5.572  -6.542  -0.751
  296   HG22  VAL  39          1HG2      VAL  39  -4.871  -5.638   0.592
  297   HG23  VAL  39          2HG2      VAL  39  -4.448  -5.218  -1.066
  298    H    ASN  40           H        ASN  40  -8.660  -6.117   2.481
  299    HA   ASN  40           HA       ASN  40  -6.388  -6.061   4.265
  300    HB2  ASN  40           2HB      ASN  40  -8.077  -3.853   4.190
  301    HB3  ASN  40           1HB      ASN  40  -8.573  -4.751   5.624
  302   HD21  ASN  40          1HD2      ASN  40  -5.404  -4.414   4.116
  303   HD22  ASN  40          2HD2      ASN  40  -4.636  -3.710   5.497
  304    H    ASP  41           H        ASP  41  -8.888  -7.696   3.140
  305    HA   ASP  41           HA       ASP  41  -9.413  -8.977   5.739
  306    HB2  ASP  41           2HB      ASP  41 -11.571  -9.709   4.912
  307    HB3  ASP  41           1HB      ASP  41 -11.442  -7.968   4.699
  308    H    THR  42           H        THR  42  -8.728  -9.452   2.327
  309    HA   THR  42           HA       THR  42  -7.546 -12.044   2.971
  310    HB   THR  42           HB       THR  42  -8.515 -12.806   0.661
  311    HG1  THR  42           1HG      THR  42 -10.604 -11.044   1.469
  312   HG21  THR  42          3HG2      THR  42 -10.509 -13.730   1.785
  313   HG22  THR  42          1HG2      THR  42 -10.218 -12.650   3.149
  314   HG23  THR  42          2HG2      THR  42  -9.050 -13.911   2.758
  315    HA   PRO  43           HA       PRO  43  -5.111  -9.441  -0.038
  316    HB2  PRO  43           2HB      PRO  43  -3.395  -8.168   1.541
  317    HB3  PRO  43           1HB      PRO  43  -5.078  -7.641   1.434
  318    HG2  PRO  43           2HG      PRO  43  -3.692  -9.118   3.607
  319    HG3  PRO  43           1HG      PRO  43  -5.040  -7.978   3.709
  320    HD2  PRO  43           2HD      PRO  43  -5.172 -10.825   3.694
  321    HD3  PRO  43           1HD      PRO  43  -6.529  -9.683   3.667
  322    H    GLU  44           H        GLU  44  -4.687 -12.242   1.034
  323    HA   GLU  44           HA       GLU  44  -3.170 -13.902   0.672
  324    HB2  GLU  44           2HB      GLU  44  -2.409 -12.562  -1.287
  325    HB3  GLU  44           1HB      GLU  44  -1.256 -11.745  -0.242
  326    HG2  GLU  44           2HG      GLU  44  -0.030 -13.387  -1.371
  327    HG3  GLU  44           1HG      GLU  44  -0.290 -14.032   0.250
  328    H    GLU  45           H        GLU  45  -1.684 -11.009   2.054
  329    HA   GLU  45           HA       GLU  45   0.062 -12.487   3.768
  330    HB2  GLU  45           2HB      GLU  45  -0.433  -9.706   3.065
  331    HB3  GLU  45           1HB      GLU  45   0.001  -9.921   4.755
  332    HG2  GLU  45           2HG      GLU  45   1.608 -11.111   2.526
  333    HG3  GLU  45           1HG      GLU  45   1.862  -9.465   3.102
  334    H    GLU  46           H        GLU  46  -1.850  -9.869   5.102
  335    HA   GLU  46           HA       GLU  46  -3.024 -11.761   7.026
  336    HB2  GLU  46           2HB      GLU  46  -1.630  -9.157   7.659
  337    HB3  GLU  46           1HB      GLU  46  -2.590 -10.065   8.816
  338    HG2  GLU  46           2HG      GLU  46  -0.350 -11.431   7.413
  339    HG3  GLU  46           1HG      GLU  46   0.010 -10.309   8.724
  340    H    GLY  47           H        GLY  47  -3.222  -8.277   7.304
  341    HA2  GLY  47           2HA      GLY  47  -5.425  -7.651   5.798
  342    HA3  GLY  47           1HA      GLY  47  -6.081  -8.372   7.258
  343    H    MET  48           H        MET  48  -6.203  -7.171   9.088
  344    HA   MET  48           HA       MET  48  -6.200  -4.413   8.908
  345    HB2  MET  48           2HB      MET  48  -7.351  -5.802  10.658
  346    HB3  MET  48           1HB      MET  48  -5.801  -5.917  11.486
  347    HG2  MET  48           2HG      MET  48  -5.930  -3.262  11.188
  348    HG3  MET  48           1HG      MET  48  -7.651  -3.631  11.235
  349    HE1  MET  48           3HE      MET  48  -4.620  -4.349  14.623
  350    HE2  MET  48           1HE      MET  48  -4.300  -3.458  13.134
  351    HE3  MET  48           2HE      MET  48  -4.504  -5.211  13.090
  352    HA   PRO  49           HA       PRO  49  -1.801  -4.372  11.074
  353    HB2  PRO  49           2HB      PRO  49  -0.252  -6.514  10.294
  354    HB3  PRO  49           1HB      PRO  49  -1.068  -6.393  11.854
  355    HG2  PRO  49           2HG      PRO  49  -1.907  -7.847   9.385
  356    HG3  PRO  49           1HG      PRO  49  -2.037  -8.347  11.077
  357    HD2  PRO  49           2HD      PRO  49  -4.146  -7.422   9.722
  358    HD3  PRO  49           1HD      PRO  49  -3.921  -7.071  11.445
  359    H    LEU  50           H        LEU  50  -2.488  -5.884   7.985
  360    HA   LEU  50           HA       LEU  50  -0.321  -4.929   6.488
  361    HB2  LEU  50           2HB      LEU  50  -3.161  -5.482   5.699
  362    HB3  LEU  50           1HB      LEU  50  -1.930  -5.005   4.553
  363    HG   LEU  50           HG       LEU  50  -2.570  -7.606   5.521
  364   HD11  LEU  50          1HD1      LEU  50  -2.171  -6.822   3.228
  365   HD12  LEU  50          2HD1      LEU  50  -1.175  -8.212   3.661
  366   HD13  LEU  50          3HD1      LEU  50  -0.464  -6.598   3.628
  367   HD21  LEU  50          3HD2      LEU  50   0.322  -6.836   5.931
  368   HD22  LEU  50          1HD2      LEU  50  -0.368  -8.450   6.068
  369   HD23  LEU  50          2HD2      LEU  50  -0.815  -7.198   7.225
  370    H    ARG  51           H        ARG  51  -3.492  -3.558   7.137
  371    HA   ARG  51           HA       ARG  51  -3.156  -1.181   5.688
  372    HB2  ARG  51           2HB      ARG  51  -5.310  -1.672   6.342
  373    HB3  ARG  51           1HB      ARG  51  -4.864  -1.980   8.015
  374    HG2  ARG  51           2HG      ARG  51  -4.325   0.529   8.100
  375    HG3  ARG  51           1HG      ARG  51  -5.254   0.633   6.605
  376    HD2  ARG  51           2HD      ARG  51  -6.214  -0.371   9.281
  377    HD3  ARG  51           1HD      ARG  51  -6.693   1.119   8.473
  378    HE   ARG  51           HE       ARG  51  -7.277  -1.149   6.857
  379   HH11  ARG  51          1HH1      ARG  51  -8.387   0.613   9.669
  380   HH12  ARG  51          2HH1      ARG  51 -10.036   0.100   9.499
  381   HH21  ARG  51          1HH2      ARG  51  -9.452  -1.823   6.624
  382   HH22  ARG  51          2HH2      ARG  51 -10.642  -1.296   7.777
  383    H    ALA  52           H        ALA  52  -2.550  -1.882   9.101
  384    HA   ALA  52           HA       ALA  52  -1.641   0.652   9.812
  385    HB1  ALA  52           1HB      ALA  52  -0.758  -1.984  10.989
  386    HB2  ALA  52           2HB      ALA  52  -2.250  -1.143  11.409
  387    HB3  ALA  52           3HB      ALA  52  -0.688  -0.402  11.767
  388    H    TRP  53           H        TRP  53   0.249  -2.205   8.689
  389    HA   TRP  53           HA       TRP  53   2.703  -0.770   8.951
  390    HB2  TRP  53           2HB      TRP  53   3.812  -2.712   8.394
  391    HB3  TRP  53           1HB      TRP  53   2.292  -3.351   8.985
  392    HD1  TRP  53           HD       TRP  53   1.090  -5.003   7.550
  393    HE1  TRP  53           1HE      TRP  53   1.330  -5.881   5.144
  394    HE3  TRP  53           3HE      TRP  53   4.690  -1.799   5.851
  395    HZ2  TRP  53           2HZ      TRP  53   2.844  -5.322   2.854
  396    HZ3  TRP  53           3HZ      TRP  53   5.491  -2.058   3.543
  397    HH2  TRP  53           HH       TRP  53   4.582  -3.784   2.075
  398    H    VAL  54           H        VAL  54   0.555  -1.479   6.247
  399    HA   VAL  54           HA       VAL  54   2.382  -0.569   4.275
  400    HB   VAL  54           HB       VAL  54   0.232  -2.091   4.078
  401   HG11  VAL  54          1HG1      VAL  54  -1.615  -0.921   2.961
  402   HG12  VAL  54          2HG1      VAL  54  -0.843   0.619   3.338
  403   HG13  VAL  54          3HG1      VAL  54  -1.410  -0.425   4.641
  404   HG21  VAL  54          3HG2      VAL  54   1.861  -1.813   2.329
  405   HG22  VAL  54          1HG2      VAL  54   1.201  -0.228   1.918
  406   HG23  VAL  54          2HG2      VAL  54   0.239  -1.682   1.646
  407    H    ILE  55           H        ILE  55  -0.401   0.965   5.900
  408    HA   ILE  55           HA       ILE  55  -0.210   3.424   4.555
  409    HB   ILE  55           HB       ILE  55  -1.288   2.732   7.279
  410   HG12  ILE  55          2HG1      ILE  55  -2.630   3.390   4.650
  411   HG13  ILE  55          1HG1      ILE  55  -2.434   1.774   5.328
  412   HG21  ILE  55          1HG2      ILE  55  -1.539   5.361   5.817
  413   HG22  ILE  55          2HG2      ILE  55  -0.623   5.077   7.298
  414   HG23  ILE  55          3HG2      ILE  55  -2.378   4.911   7.304
  415   HD11  ILE  55          3HD1      ILE  55  -3.832   2.394   7.217
  416   HD12  ILE  55          1HD1      ILE  55  -4.676   2.634   5.684
  417   HD13  ILE  55          2HD1      ILE  55  -4.015   4.019   6.553
  418    H    LYS  56           H        LYS  56   1.298   2.351   7.617
  419    HA   LYS  56           HA       LYS  56   2.493   4.866   8.134
  420    HB2  LYS  56           2HB      LYS  56   3.084   2.100   9.152
  421    HB3  LYS  56           1HB      LYS  56   4.015   3.503   9.661
  422    HG2  LYS  56           2HG      LYS  56   1.939   4.559  10.464
  423    HG3  LYS  56           1HG      LYS  56   1.051   3.102  10.014
  424    HD2  LYS  56           2HD      LYS  56   2.326   1.791  11.593
  425    HD3  LYS  56           1HD      LYS  56   3.335   3.188  11.984
  426    HE2  LYS  56           2HE      LYS  56   1.356   4.361  12.836
  427    HE3  LYS  56           1HE      LYS  56   0.367   2.952  12.464
  428    HZ1  LYS  56           3HZ      LYS  56   1.043   3.089  14.810
  429    HZ2  LYS  56           1HZ      LYS  56   2.659   2.931  14.343
  430    HZ3  LYS  56           2HZ      LYS  56   1.573   1.668  14.060
  431    H    CYS  57           H        CYS  57   3.715   1.959   6.490
  432    HA   CYS  57           HA       CYS  57   6.336   2.968   6.130
  433    HB2  CYS  57           2HB      CYS  57   4.826   0.886   4.541
  434    HB3  CYS  57           1HB      CYS  57   6.548   1.212   4.380
  435    HG   CYS  57           HG       CYS  57   4.897  -0.236   6.974
  436    H    ALA  58           H        ALA  58   3.467   2.997   4.019
  437    HA   ALA  58           HA       ALA  58   4.673   4.394   1.887
  438    HB1  ALA  58           1HB      ALA  58   2.406   4.863   1.131
  439    HB2  ALA  58           2HB      ALA  58   1.767   4.377   2.701
  440    HB3  ALA  58           3HB      ALA  58   2.550   3.187   1.661
  441    H    HIS  59           H        HIS  59   3.061   5.471   4.824
  442    HA   HIS  59           HA       HIS  59   2.899   8.211   4.291
  443    HB2  HIS  59           2HB      HIS  59   1.918   6.922   6.260
  444    HB3  HIS  59           1HB      HIS  59   3.511   7.002   6.994
  445    HD1  HIS  59           1HD      HIS  59   1.791   8.257   8.809
  446    HD2  HIS  59           2HD      HIS  59   2.951  10.349   5.412
  447    HE1  HIS  59           1HE      HIS  59   1.292  10.670   9.299
  448    HE2  HIS  59           2HE      HIS  59   2.151  11.931   7.299
  449    H    GLU  60           H        GLU  60   5.476   6.339   5.872
  450    HA   GLU  60           HA       GLU  60   7.258   8.494   6.221
  451    HB2  GLU  60           2HB      GLU  60   7.764   5.525   6.005
  452    HB3  GLU  60           1HB      GLU  60   8.990   6.698   6.463
  453    HG2  GLU  60           2HG      GLU  60   6.430   6.179   7.956
  454    HG3  GLU  60           1HG      GLU  60   8.019   5.558   8.396
  455    H    ALA  61           H        ALA  61   6.860   6.146   3.615
  456    HA   ALA  61           HA       ALA  61   9.156   6.854   2.138
  457    HB1  ALA  61           1HB      ALA  61   6.575   5.652   1.137
  458    HB2  ALA  61           2HB      ALA  61   7.943   4.753   1.795
  459    HB3  ALA  61           3HB      ALA  61   8.119   5.652   0.288
  460    H    LEU  62           H        LEU  62   5.822   8.013   2.043
  461    HA   LEU  62           HA       LEU  62   6.154   9.634  -0.262
  462    HB2  LEU  62           2HB      LEU  62   3.965   8.861   0.518
  463    HB3  LEU  62           1HB      LEU  62   4.131   9.839   1.963
  464    HG   LEU  62           HG       LEU  62   4.338  11.831   0.321
  465   HD11  LEU  62          1HD1      LEU  62   4.571  10.407  -1.688
  466   HD12  LEU  62          2HD1      LEU  62   3.239  11.558  -1.792
  467   HD13  LEU  62          3HD1      LEU  62   2.909   9.859  -1.448
  468   HD21  LEU  62          3HD2      LEU  62   2.476  11.509   1.828
  469   HD22  LEU  62          1HD2      LEU  62   1.748  10.358   0.708
  470   HD23  LEU  62          2HD2      LEU  62   1.903  12.055   0.250
  471    H    GLU  63           H        GLU  63   6.205  10.359   3.226
  472    HA   GLU  63           HA       GLU  63   6.535  13.151   2.889
  473    HB2  GLU  63           2HB      GLU  63   7.227  11.383   5.238
  474    HB3  GLU  63           1HB      GLU  63   7.271  13.138   5.277
  475    HG2  GLU  63           2HG      GLU  63   4.822  13.064   4.610
  476    HG3  GLU  63           1HG      GLU  63   4.888  11.341   4.981
  477    H    LYS  64           H        LYS  64   8.785  10.506   2.848
  478    HA   LYS  64           HA       LYS  64  11.183  11.903   3.303
  479    HB2  LYS  64           2HB      LYS  64  10.987   9.430   3.211
  480    HB3  LYS  64           1HB      LYS  64  10.713   9.537   1.479
  481    HG2  LYS  64           2HG      LYS  64  12.991   8.915   1.869
  482    HG3  LYS  64           1HG      LYS  64  12.953  10.558   1.224
  483    HD2  LYS  64           2HD      LYS  64  14.554  10.433   3.032
  484    HD3  LYS  64           1HD      LYS  64  13.181  11.427   3.528
  485    HE2  LYS  64           2HE      LYS  64  12.233   9.480   4.706
  486    HE3  LYS  64           1HE      LYS  64  13.652   8.537   4.255
  487    HZ1  LYS  64           3HZ      LYS  64  13.836   9.395   6.496
  488    HZ2  LYS  64           1HZ      LYS  64  13.663  10.982   5.940
  489    HZ3  LYS  64           2HZ      LYS  64  15.026  10.077   5.508
  490    H    ASN  65           H        ASN  65   9.293  11.325   0.407
  491    HA   ASN  65           HA       ASN  65  10.624  13.562  -0.892
  492    HB2  ASN  65           2HB      ASN  65  10.630  12.174  -3.056
  493    HB3  ASN  65           1HB      ASN  65  11.879  11.833  -1.870
  494   HD21  ASN  65          1HD2      ASN  65   8.489  10.793  -2.064
  495   HD22  ASN  65          2HD2      ASN  65   8.835   9.096  -2.100
  496    HA   PRO  66           HA       PRO  66   6.014  13.548  -0.996
  497    HB2  PRO  66           2HB      PRO  66   5.639  16.096  -0.227
  498    HB3  PRO  66           1HB      PRO  66   6.035  14.822   0.928
  499    HG2  PRO  66           2HG      PRO  66   7.841  16.854  -0.331
  500    HG3  PRO  66           1HG      PRO  66   7.747  16.344   1.365
  501    HD2  PRO  66           2HD      PRO  66   9.618  15.390  -0.361
  502    HD3  PRO  66           1HD      PRO  66   8.980  14.440   0.993
  503    H    LYS  67           H        LYS  67   7.488  13.646  -3.304
  504    HA   LYS  67           HA       LYS  67   5.958  15.571  -4.891
  505    HB2  LYS  67           2HB      LYS  67   8.935  15.082  -5.092
  506    HB3  LYS  67           1HB      LYS  67   7.999  15.918  -6.326
  507    HG2  LYS  67           2HG      LYS  67   7.383  17.632  -4.674
  508    HG3  LYS  67           1HG      LYS  67   8.362  16.802  -3.467
  509    HD2  LYS  67           2HD      LYS  67   9.405  17.937  -6.062
  510    HD3  LYS  67           1HD      LYS  67   9.523  18.729  -4.490
  511    HE2  LYS  67           2HE      LYS  67  10.814  16.795  -3.653
  512    HE3  LYS  67           1HE      LYS  67  10.757  16.090  -5.267
  513    HZ1  LYS  67           3HZ      LYS  67  11.926  18.048  -6.104
  514    HZ2  LYS  67           1HZ      LYS  67  12.832  17.239  -4.927
  515    HZ3  LYS  67           2HZ      LYS  67  12.024  18.670  -4.537
  516    H    ILE  68           H        ILE  68   6.605  12.495  -4.200
  517    HA   ILE  68           HA       ILE  68   6.794  11.429  -6.887
  518    HB   ILE  68           HB       ILE  68   6.632   9.217  -5.809
  519   HG12  ILE  68          2HG1      ILE  68   6.705  10.660  -3.155
  520   HG13  ILE  68          1HG1      ILE  68   5.203  10.093  -3.883
  521   HG21  ILE  68          1HG2      ILE  68   8.787   9.306  -4.637
  522   HG22  ILE  68          2HG2      ILE  68   8.682  11.067  -4.610
  523   HG23  ILE  68          3HG2      ILE  68   8.804  10.215  -6.150
  524   HD11  ILE  68          3HD1      ILE  68   6.016   7.812  -3.826
  525   HD12  ILE  68          1HD1      ILE  68   6.070   8.536  -2.219
  526   HD13  ILE  68          2HD1      ILE  68   7.553   8.361  -3.158
  527    H    ARG  69           H        ARG  69   5.210   9.361  -7.058
  528    HA   ARG  69           HA       ARG  69   2.487  10.369  -6.620
  529    HB2  ARG  69           2HB      ARG  69   3.634   9.471  -9.258
  530    HB3  ARG  69           1HB      ARG  69   1.914   9.659  -8.959
  531    HG2  ARG  69           2HG      ARG  69   2.305  12.038  -8.424
  532    HG3  ARG  69           1HG      ARG  69   4.004  11.821  -8.851
  533    HD2  ARG  69           2HD      ARG  69   3.295  11.092 -11.105
  534    HD3  ARG  69           1HD      ARG  69   1.626  11.441 -10.662
  535    HE   ARG  69           HE       ARG  69   2.976  13.766 -10.167
  536   HH11  ARG  69          1HH1      ARG  69   2.470  11.691 -12.935
  537   HH12  ARG  69          2HH1      ARG  69   2.649  12.969 -14.094
  538   HH21  ARG  69          1HH2      ARG  69   3.215  15.463 -11.690
  539   HH22  ARG  69          2HH2      ARG  69   3.094  15.113 -13.384
  540    H    GLU  70           H        GLU  70   4.648   7.691  -6.880
  541    HA   GLU  70           HA       GLU  70   2.753   6.014  -5.591
  542    HB2  GLU  70           2HB      GLU  70   2.687   4.250  -7.343
  543    HB3  GLU  70           1HB      GLU  70   1.849   5.738  -7.781
  544    HG2  GLU  70           2HG      GLU  70   3.671   6.398  -9.207
  545    HG3  GLU  70           1HG      GLU  70   4.637   5.021  -8.678
  546    H    VAL  71           H        VAL  71   3.611   3.975  -4.949
  547    HA   VAL  71           HA       VAL  71   6.549   3.807  -5.039
  548    HB   VAL  71           HB       VAL  71   4.754   3.328  -2.641
  549   HG11  VAL  71          1HG1      VAL  71   6.815   2.989  -1.377
  550   HG12  VAL  71          2HG1      VAL  71   7.753   3.140  -2.864
  551   HG13  VAL  71          3HG1      VAL  71   6.637   1.789  -2.657
  552   HG21  VAL  71          3HG2      VAL  71   6.836   5.460  -3.066
  553   HG22  VAL  71          1HG2      VAL  71   5.816   5.252  -1.645
  554   HG23  VAL  71          2HG2      VAL  71   5.097   5.705  -3.191
  555    H    TYR  72           H        TYR  72   7.388   1.663  -4.899
  556    HA   TYR  72           HA       TYR  72   5.410  -0.454  -5.452
  557    HB2  TYR  72           2HB      TYR  72   8.364  -0.502  -6.129
  558    HB3  TYR  72           1HB      TYR  72   7.124  -1.620  -6.689
  559    HD1  TYR  72           1HD      TYR  72   5.486  -0.896  -8.395
  560    HD2  TYR  72           2HD      TYR  72   8.712   1.607  -7.200
  561    HE1  TYR  72           1HE      TYR  72   5.143   0.496 -10.392
  562    HE2  TYR  72           2HE      TYR  72   8.378   3.003  -9.194
  563    HH   TYR  72           HH       TYR  72   5.610   2.808 -11.129
  564    H    LEU  73           H        LEU  73   5.085  -1.821  -3.935
  565    HA   LEU  73           HA       LEU  73   7.074  -1.968  -1.778
  566    HB2  LEU  73           2HB      LEU  73   5.226  -0.361  -1.365
  567    HB3  LEU  73           1HB      LEU  73   4.086  -1.677  -1.521
  568    HG   LEU  73           HG       LEU  73   4.985  -2.735   0.428
  569   HD11  LEU  73          1HD1      LEU  73   6.666  -1.595   1.833
  570   HD12  LEU  73          2HD1      LEU  73   6.884  -0.401   0.554
  571   HD13  LEU  73          3HD1      LEU  73   7.312  -2.088   0.267
  572   HD21  LEU  73          3HD2      LEU  73   3.200  -1.085   0.689
  573   HD22  LEU  73          1HD2      LEU  73   4.406   0.185   0.891
  574   HD23  LEU  73          2HD2      LEU  73   4.266  -1.096   2.095
  575    H    LYS  74           H        LYS  74   7.277  -3.930  -0.740
  576    HA   LYS  74           HA       LYS  74   5.571  -6.129  -1.697
  577    HB2  LYS  74           2HB      LYS  74   7.907  -6.040  -2.722
  578    HB3  LYS  74           1HB      LYS  74   8.530  -6.383  -1.116
  579    HG2  LYS  74           2HG      LYS  74   6.508  -8.197  -2.368
  580    HG3  LYS  74           1HG      LYS  74   8.214  -8.318  -2.802
  581    HD2  LYS  74           2HD      LYS  74   8.828  -9.062  -0.729
  582    HD3  LYS  74           1HD      LYS  74   7.484  -8.253   0.081
  583    HE2  LYS  74           2HE      LYS  74   5.953  -9.912  -0.903
  584    HE3  LYS  74           1HE      LYS  74   7.340 -10.733  -1.623
  585    HZ1  LYS  74           3HZ      LYS  74   8.183 -11.260   0.498
  586    HZ2  LYS  74           1HZ      LYS  74   6.540 -11.665   0.538
  587    HZ3  LYS  74           2HZ      LYS  74   7.083 -10.244   1.286
  588    HA   PRO  75           HA       PRO  75   4.671  -6.402   2.604
  589    HB2  PRO  75           2HB      PRO  75   3.597  -8.926   2.608
  590    HB3  PRO  75           1HB      PRO  75   2.730  -7.457   2.161
  591    HG2  PRO  75           2HG      PRO  75   3.962  -9.537   0.427
  592    HG3  PRO  75           1HG      PRO  75   2.478  -8.604   0.182
  593    HD2  PRO  75           2HD      PRO  75   4.788  -8.048  -1.118
  594    HD3  PRO  75           1HD      PRO  75   3.599  -6.806  -0.692
  595    H    ARG  76           H        ARG  76   4.825  -8.038   4.459
  596    HA   ARG  76           HA       ARG  76   7.620  -8.234   4.839
  597    HB2  ARG  76           2HB      ARG  76   5.802  -9.626   6.717
  598    HB3  ARG  76           1HB      ARG  76   7.145  -8.539   7.050
  599    HG2  ARG  76           2HG      ARG  76   5.647  -6.680   6.146
  600    HG3  ARG  76           1HG      ARG  76   4.328  -7.839   6.296
  601    HD2  ARG  76           2HD      ARG  76   4.362  -6.516   8.275
  602    HD3  ARG  76           1HD      ARG  76   4.962  -8.121   8.698
  603    HE   ARG  76           HE       ARG  76   7.245  -7.099   8.497
  604   HH11  ARG  76          1HH1      ARG  76   4.441  -5.174   9.333
  605   HH12  ARG  76          2HH1      ARG  76   5.372  -3.932  10.107
  606   HH21  ARG  76          1HH2      ARG  76   8.469  -5.467   9.518
  607   HH22  ARG  76          2HH2      ARG  76   7.657  -4.090  10.199
  608    H    ALA  77           H        ALA  77   5.104 -10.762   4.973
  609    HA   ALA  77           HA       ALA  77   6.843 -12.881   5.452
  610    HB1  ALA  77           1HB      ALA  77   4.194 -12.973   4.025
  611    HB2  ALA  77           2HB      ALA  77   4.429 -13.024   5.771
  612    HB3  ALA  77           3HB      ALA  77   5.027 -14.343   4.763
  613    H    VAL  78           H        VAL  78   8.404 -13.630   4.272
  614    HA   VAL  78           HA       VAL  78   8.640 -13.149   1.464
  615    HB   VAL  78           HB       VAL  78  10.233 -15.110   3.127
  616   HG11  VAL  78          1HG1      VAL  78  10.524 -15.369   0.715
  617   HG12  VAL  78          2HG1      VAL  78  11.988 -14.744   1.470
  618   HG13  VAL  78          3HG1      VAL  78  10.928 -13.658   0.577
  619   HG21  VAL  78          3HG2      VAL  78  10.277 -12.917   4.179
  620   HG22  VAL  78          1HG2      VAL  78  10.744 -12.178   2.650
  621   HG23  VAL  78          2HG2      VAL  78  11.843 -13.294   3.462
  622    H    LYS  79           H        LYS  79   6.887 -15.347   3.255
  623    HA   LYS  79           HA       LYS  79   7.066 -17.745   1.851
  624    HB2  LYS  79           2HB      LYS  79   4.713 -16.517   3.289
  625    HB3  LYS  79           1HB      LYS  79   4.771 -18.183   2.732
  626    HG2  LYS  79           2HG      LYS  79   6.647 -18.634   4.205
  627    HG3  LYS  79           1HG      LYS  79   6.661 -16.949   4.726
  628    HD2  LYS  79           2HD      LYS  79   5.547 -18.394   6.363
  629    HD3  LYS  79           1HD      LYS  79   4.438 -17.204   5.680
  630    HE2  LYS  79           2HE      LYS  79   3.398 -19.413   5.865
  631    HE3  LYS  79           1HE      LYS  79   3.520 -18.889   4.187
  632    HZ1  LYS  79           3HZ      LYS  79   5.346 -20.796   5.544
  633    HZ2  LYS  79           1HZ      LYS  79   5.473 -20.291   3.938
  634    HZ3  LYS  79           2HZ      LYS  79   4.140 -21.201   4.434
  635    H    ASN  80           H        ASN  80   5.083 -14.880   1.183
  636    HA   ASN  80           HA       ASN  80   3.617 -16.140  -0.902
  637    HB2  ASN  80           2HB      ASN  80   3.064 -13.690  -1.521
  638    HB3  ASN  80           1HB      ASN  80   2.427 -14.382  -0.030
  639   HD21  ASN  80          1HD2      ASN  80   2.912 -13.494   1.824
  640   HD22  ASN  80          2HD2      ASN  80   4.021 -12.198   2.030
  641    H    SER  81           H        SER  81   6.581 -14.334  -0.747
  642    HA   SER  81           HA       SER  81   8.347 -14.367  -2.153
  643    HB2  SER  81           2HB      SER  81   6.626 -16.005  -4.025
  644    HB3  SER  81           1HB      SER  81   8.372 -15.785  -4.136
  645    HG   SER  81           HG       SER  81   6.903 -17.457  -2.532
  646    H    SER  82           H        SER  82   5.462 -14.124  -4.297
  647    HA   SER  82           HA       SER  82   6.753 -11.724  -5.407
  648    HB2  SER  82           2HB      SER  82   5.390 -13.904  -6.995
  649    HB3  SER  82           1HB      SER  82   6.122 -12.441  -7.657
  650    HG   SER  82           HG       SER  82   7.935 -13.602  -6.113
  651    H    VAL  83           H        VAL  83   4.358 -12.090  -3.523
  652    HA   VAL  83           HA       VAL  83   2.398 -10.651  -5.134
  653    HB   VAL  83           HB       VAL  83   1.637 -12.243  -3.298
  654   HG11  VAL  83          1HG1      VAL  83   1.599 -11.427  -1.015
  655   HG12  VAL  83          2HG1      VAL  83   2.513  -9.998  -1.496
  656   HG13  VAL  83          3HG1      VAL  83   3.259 -11.591  -1.590
  657   HG21  VAL  83          3HG2      VAL  83  -0.199 -10.792  -2.568
  658   HG22  VAL  83          1HG2      VAL  83   0.132 -10.601  -4.289
  659   HG23  VAL  83          2HG2      VAL  83   0.691  -9.381  -3.142
  660    H    GLN  84           H        GLN  84   2.141  -8.462  -5.090
  661    HA   GLN  84           HA       GLN  84   3.920  -6.955  -3.312
  662    HB2  GLN  84           2HB      GLN  84   3.675  -6.575  -6.296
  663    HB3  GLN  84           1HB      GLN  84   4.533  -5.489  -5.212
  664    HG2  GLN  84           2HG      GLN  84   6.071  -7.280  -4.618
  665    HG3  GLN  84           1HG      GLN  84   5.207  -8.382  -5.691
  666   HE21  GLN  84          1HE2      GLN  84   6.995  -8.755  -6.953
  667   HE22  GLN  84          2HE2      GLN  84   7.625  -7.574  -8.044
  668    H    PHE  85           H        PHE  85   3.304  -4.831  -2.902
  669    HA   PHE  85           HA       PHE  85   0.528  -4.226  -3.627
  670    HB2  PHE  85           2HB      PHE  85   2.159  -3.334  -1.246
  671    HB3  PHE  85           1HB      PHE  85   0.598  -2.639  -1.679
  672    HD1  PHE  85           2HD      PHE  85  -1.338  -4.377  -2.008
  673    HD2  PHE  85           1HD      PHE  85   2.194  -5.099   0.251
  674    HE1  PHE  85           2HE      PHE  85  -2.493  -6.168  -0.781
  675    HE2  PHE  85           1HE      PHE  85   1.042  -6.891   1.478
  676    HZ   PHE  85           HZ       PHE  85  -1.304  -7.426   0.969
  677    H    HIS  86           H        HIS  86   0.270  -2.757  -5.059
  678    HA   HIS  86           HA       HIS  86   2.480  -0.960  -5.729
  679    HB2  HIS  86           2HB      HIS  86   1.267  -2.343  -7.490
  680    HB3  HIS  86           1HB      HIS  86  -0.144  -1.340  -7.189
  681    HD1  HIS  86           1HD      HIS  86  -0.037  -0.572  -9.689
  682    HD2  HIS  86           2HD      HIS  86   3.247   0.520  -7.375
  683    HE1  HIS  86           1HE      HIS  86   1.218   1.128 -11.044
  684    HE2  HIS  86           2HE      HIS  86   3.077   1.925  -9.548
  685    H    VAL  87           H        VAL  87   2.450   0.771  -4.416
  686    HA   VAL  87           HA       VAL  87  -0.114   1.771  -3.453
  687    HB   VAL  87           HB       VAL  87   2.697   2.604  -2.696
  688   HG11  VAL  87          1HG1      VAL  87   1.089   4.375  -2.290
  689   HG12  VAL  87          2HG1      VAL  87   1.618   3.668  -0.762
  690   HG13  VAL  87          3HG1      VAL  87   0.039   3.250  -1.427
  691   HG21  VAL  87          3HG2      VAL  87   0.756   0.782  -1.277
  692   HG22  VAL  87          1HG2      VAL  87   2.311   1.321  -0.641
  693   HG23  VAL  87          2HG2      VAL  87   2.251   0.293  -2.073
  694    H    ILE  88           H        ILE  88  -1.102   3.228  -4.644
  695    HA   ILE  88           HA       ILE  88   0.535   5.105  -6.205
  696    HB   ILE  88           HB       ILE  88  -2.239   4.059  -6.773
  697   HG12  ILE  88          2HG1      ILE  88   0.352   3.681  -8.291
  698   HG13  ILE  88          1HG1      ILE  88  -0.325   2.497  -7.175
  699   HG21  ILE  88          1HG2      ILE  88  -0.551   6.022  -8.316
  700   HG22  ILE  88          2HG2      ILE  88  -2.060   6.368  -7.470
  701   HG23  ILE  88          3HG2      ILE  88  -2.063   5.312  -8.882
  702   HD11  ILE  88          3HD1      ILE  88  -1.601   3.471  -9.716
  703   HD12  ILE  88          1HD1      ILE  88  -2.306   2.314  -8.588
  704   HD13  ILE  88          2HD1      ILE  88  -0.827   1.907  -9.460
  705    H    PHE  89           H        PHE  89   0.102   7.242  -6.113
  706    HA   PHE  89           HA       PHE  89  -1.635   8.046  -3.895
  707    HB2  PHE  89           2HB      PHE  89   0.846   9.281  -5.072
  708    HB3  PHE  89           1HB      PHE  89  -0.159  10.070  -3.865
  709    HD1  PHE  89           1HD      PHE  89  -0.837   8.369  -1.898
  710    HD2  PHE  89           2HD      PHE  89   2.711   8.225  -4.236
  711    HE1  PHE  89           1HE      PHE  89   0.265   7.075  -0.138
  712    HE2  PHE  89           2HE      PHE  89   3.825   6.934  -2.461
  713    HZ   PHE  89           HZ       PHE  89   2.579   6.360  -0.425
  714    H    ASP  90           H        ASP  90  -3.567   8.683  -4.724
  715    HA   ASP  90           HA       ASP  90  -3.683  10.175  -7.220
  716    HB2  ASP  90           2HB      ASP  90  -5.878   9.317  -5.317
  717    HB3  ASP  90           1HB      ASP  90  -6.151  10.217  -6.803
  718    H    GLU  91           H        GLU  91  -3.720  12.318  -7.350
  719    HA   GLU  91           HA       GLU  91  -3.610  13.876  -4.916
  720    HB2  GLU  91           2HB      GLU  91  -3.455  14.684  -7.823
  721    HB3  GLU  91           1HB      GLU  91  -3.266  15.792  -6.473
  722    HG2  GLU  91           2HG      GLU  91  -1.300  14.570  -5.733
  723    HG3  GLU  91           1HG      GLU  91  -1.494  13.439  -7.073
  724    H    GLU  92           H        GLU  92  -5.419  14.460  -3.936
  725    HA   GLU  92           HA       GLU  92  -7.816  14.920  -5.536
  726    HB2  GLU  92           2HB      GLU  92  -8.320  15.433  -2.783
  727    HB3  GLU  92           1HB      GLU  92  -8.908  14.107  -3.774
  728    HG2  GLU  92           2HG      GLU  92  -7.896  13.130  -1.896
  729    HG3  GLU  92           1HG      GLU  92  -6.779  12.891  -3.234
  Start of MODEL    6
    1    H1   GLY   1           1HT      GLY   1  14.398 -24.545 -23.052
    2    H2   GLY   1           2HT      GLY   1  15.769 -23.565 -22.957
    3    H3   GLY   1           3HT      GLY   1  14.249 -22.868 -23.195
    4    HA2  GLY   1           1HA      GLY   1  15.139 -24.306 -20.764
    5    HA3  GLY   1           2HA      GLY   1  14.955 -22.565 -20.917
    6    H    SER   2           H        SER   2  13.499 -25.336 -19.862
    7    HA   SER   2           HA       SER   2  10.789 -24.712 -20.560
    8    HB2  SER   2           2HB      SER   2  11.806 -26.658 -18.480
    9    HB3  SER   2           1HB      SER   2  10.206 -26.641 -19.223
   10    HG   SER   2           HG       SER   2  11.376 -26.936 -21.271
   11    H    ALA   3           H        ALA   3   9.516 -23.324 -19.575
   12    HA   ALA   3           HA       ALA   3  10.041 -22.667 -16.751
   13    HB1  ALA   3           1HB      ALA   3   8.949 -20.497 -17.184
   14    HB2  ALA   3           2HB      ALA   3   8.808 -20.929 -18.887
   15    HB3  ALA   3           3HB      ALA   3  10.400 -20.725 -18.159
   16    H    MET   4           H        MET   4   7.566 -23.119 -19.236
   17    HA   MET   4           HA       MET   4   5.445 -23.917 -19.171
   18    HB2  MET   4           2HB      MET   4   6.639 -25.901 -18.335
   19    HB3  MET   4           1HB      MET   4   6.461 -25.311 -16.690
   20    HG2  MET   4           2HG      MET   4   4.024 -25.485 -16.909
   21    HG3  MET   4           1HG      MET   4   4.232 -26.126 -18.538
   22    HE1  MET   4           3HE      MET   4   5.782 -28.287 -14.765
   23    HE2  MET   4           1HE      MET   4   5.023 -26.696 -14.734
   24    HE3  MET   4           2HE      MET   4   6.602 -26.907 -15.492
   25    H    GLY   5           H        GLY   5   4.879 -21.642 -18.682
   26    HA2  GLY   5           2HA      GLY   5   3.247 -20.362 -17.609
   27    HA3  GLY   5           1HA      GLY   5   3.226 -21.531 -16.295
   28    H    HIS   6           H        HIS   6   3.182 -19.269 -15.212
   29    HA   HIS   6           HA       HIS   6   5.931 -18.707 -14.382
   30    HB2  HIS   6           2HB      HIS   6   3.925 -16.609 -15.241
   31    HB3  HIS   6           1HB      HIS   6   5.404 -16.250 -14.359
   32    HD1  HIS   6           1HD      HIS   6   4.118 -16.383 -17.688
   33    HD2  HIS   6           2HD      HIS   6   7.782 -17.231 -15.923
   34    HE1  HIS   6           1HE      HIS   6   5.796 -16.329 -19.558
   35    HE2  HIS   6           2HE      HIS   6   7.974 -16.993 -18.490
   36    H    MET   7           H        MET   7   6.126 -17.988 -12.261
   37    HA   MET   7           HA       MET   7   4.108 -18.726 -10.428
   38    HB2  MET   7           2HB      MET   7   6.487 -16.896 -10.022
   39    HB3  MET   7           1HB      MET   7   5.515 -17.596  -8.736
   40    HG2  MET   7           2HG      MET   7   6.204 -19.833  -9.437
   41    HG3  MET   7           1HG      MET   7   7.186 -19.125 -10.716
   42    HE1  MET   7           3HE      MET   7   9.913 -17.193  -8.665
   43    HE2  MET   7           1HE      MET   7   8.369 -16.525  -9.193
   44    HE3  MET   7           2HE      MET   7   9.291 -17.575 -10.269
   45    HA   PRO   8           HA       PRO   8   1.512 -15.248 -11.279
   46    HB2  PRO   8           2HB      PRO   8  -0.314 -15.687  -9.292
   47    HB3  PRO   8           1HB      PRO   8  -0.283 -16.578 -10.816
   48    HG2  PRO   8           2HG      PRO   8   0.778 -17.368  -8.138
   49    HG3  PRO   8           1HG      PRO   8  -0.096 -18.347  -9.331
   50    HD2  PRO   8           2HD      PRO   8   2.581 -18.489  -9.032
   51    HD3  PRO   8           1HD      PRO   8   1.791 -18.706 -10.607
   52    H    ALA   9           H        ALA   9   2.877 -13.545 -10.725
   53    HA   ALA   9           HA       ALA   9   3.052 -12.690  -7.964
   54    HB1  ALA   9           1HB      ALA   9   4.378 -10.830  -8.847
   55    HB2  ALA   9           2HB      ALA   9   4.007 -11.343 -10.494
   56    HB3  ALA   9           3HB      ALA   9   4.977 -12.376  -9.445
   57    H    VAL  10           H        VAL  10   1.426 -11.641  -7.051
   58    HA   VAL  10           HA       VAL  10  -0.549 -10.341  -8.785
   59    HB   VAL  10           HB       VAL  10  -0.796 -11.107  -5.870
   60   HG11  VAL  10          1HG1      VAL  10  -2.875 -10.168  -7.844
   61   HG12  VAL  10          2HG1      VAL  10  -2.249  -9.251  -6.473
   62   HG13  VAL  10          3HG1      VAL  10  -3.193 -10.715  -6.198
   63   HG21  VAL  10          3HG2      VAL  10  -2.236 -12.929  -6.668
   64   HG22  VAL  10          1HG2      VAL  10  -0.585 -13.084  -7.272
   65   HG23  VAL  10          2HG2      VAL  10  -1.861 -12.486  -8.334
   66    H    ASP  11           H        ASP  11  -0.460  -8.221  -8.988
   67    HA   ASP  11           HA       ASP  11   0.873  -6.596  -6.979
   68    HB2  ASP  11           2HB      ASP  11  -0.285  -5.972  -9.697
   69    HB3  ASP  11           1HB      ASP  11   0.262  -4.710  -8.604
   70    H    VAL  12           H        VAL  12  -0.221  -5.865  -5.307
   71    HA   VAL  12           HA       VAL  12  -3.118  -5.543  -5.462
   72    HB   VAL  12           HB       VAL  12  -1.202  -5.236  -3.139
   73   HG11  VAL  12          1HG1      VAL  12  -4.214  -5.150  -3.172
   74   HG12  VAL  12          2HG1      VAL  12  -3.134  -3.799  -2.830
   75   HG13  VAL  12          3HG1      VAL  12  -3.207  -5.171  -1.725
   76   HG21  VAL  12          3HG2      VAL  12  -2.215  -7.324  -2.334
   77   HG22  VAL  12          1HG2      VAL  12  -1.414  -7.537  -3.891
   78   HG23  VAL  12          2HG2      VAL  12  -3.173  -7.419  -3.813
   79    H    GLU  13           H        GLU  13  -3.999  -3.603  -5.955
   80    HA   GLU  13           HA       GLU  13  -2.174  -1.317  -6.043
   81    HB2  GLU  13           2HB      GLU  13  -4.855  -1.715  -7.374
   82    HB3  GLU  13           1HB      GLU  13  -3.818  -0.310  -7.570
   83    HG2  GLU  13           2HG      GLU  13  -2.104  -1.700  -8.593
   84    HG3  GLU  13           1HG      GLU  13  -3.124  -3.124  -8.375
   85    H    ILE  14           H        ILE  14  -2.256  -0.070  -4.332
   86    HA   ILE  14           HA       ILE  14  -4.875   0.381  -3.060
   87    HB   ILE  14           HB       ILE  14  -2.212   0.988  -1.775
   88   HG12  ILE  14          2HG1      ILE  14  -3.769  -1.603  -1.537
   89   HG13  ILE  14          1HG1      ILE  14  -2.257  -1.419  -2.419
   90   HG21  ILE  14          1HG2      ILE  14  -3.523   0.793   0.283
   91   HG22  ILE  14          2HG2      ILE  14  -4.960   0.421  -0.670
   92   HG23  ILE  14          3HG2      ILE  14  -4.197   2.006  -0.805
   93   HD11  ILE  14          3HD1      ILE  14  -1.138  -0.805  -0.312
   94   HD12  ILE  14          1HD1      ILE  14  -1.848  -2.419  -0.266
   95   HD13  ILE  14          2HD1      ILE  14  -2.657  -1.078   0.546
   96    H    HIS  15           H        HIS  15  -5.708   2.372  -3.323
   97    HA   HIS  15           HA       HIS  15  -3.949   4.408  -4.478
   98    HB2  HIS  15           2HB      HIS  15  -6.961   4.167  -4.455
   99    HB3  HIS  15           1HB      HIS  15  -6.092   5.556  -5.102
  100    HD1  HIS  15           1HD      HIS  15  -7.129   2.106  -5.914
  101    HD2  HIS  15           2HD      HIS  15  -4.547   4.990  -7.453
  102    HE1  HIS  15           1HE      HIS  15  -6.560   1.333  -8.240
  103    HE2  HIS  15           2HE      HIS  15  -5.141   3.176  -9.209
  104    H    PHE  16           H        PHE  16  -3.094   5.751  -3.114
  105    HA   PHE  16           HA       PHE  16  -4.701   6.703  -0.841
  106    HB2  PHE  16           2HB      PHE  16  -1.705   6.539  -1.202
  107    HB3  PHE  16           1HB      PHE  16  -2.469   7.415   0.111
  108    HD1  PHE  16           2HD      PHE  16  -4.725   5.135   0.258
  109    HD2  PHE  16           1HD      PHE  16  -0.477   5.225   0.441
  110    HE1  PHE  16           2HE      PHE  16  -4.745   3.089   1.613
  111    HE2  PHE  16           1HE      PHE  16  -0.489   3.175   1.799
  112    HZ   PHE  16           HZ       PHE  16  -2.626   2.103   2.385
  113    HA   PRO  17           HA       PRO  17  -4.729  10.546  -3.205
  114    HB2  PRO  17           2HB      PRO  17  -6.088  11.454  -0.737
  115    HB3  PRO  17           1HB      PRO  17  -6.597  11.602  -2.425
  116    HG2  PRO  17           2HG      PRO  17  -7.781   9.858  -0.802
  117    HG3  PRO  17           1HG      PRO  17  -7.441   9.439  -2.495
  118    HD2  PRO  17           2HD      PRO  17  -5.954   8.648  -0.011
  119    HD3  PRO  17           1HD      PRO  17  -6.383   7.667  -1.426
  120    H    LEU  18           H        LEU  18  -3.071  11.774  -3.277
  121    HA   LEU  18           HA       LEU  18  -0.833  11.627  -1.777
  122    HB2  LEU  18           2HB      LEU  18  -1.243  12.676  -4.052
  123    HB3  LEU  18           1HB      LEU  18  -1.691  14.131  -3.209
  124    HG   LEU  18           HG       LEU  18   0.575  14.255  -4.108
  125   HD11  LEU  18          1HD1      LEU  18   1.774  14.963  -2.107
  126   HD12  LEU  18          2HD1      LEU  18   0.553  14.186  -1.100
  127   HD13  LEU  18          3HD1      LEU  18   0.114  15.556  -2.121
  128   HD21  LEU  18          3HD2      LEU  18   1.087  11.870  -2.359
  129   HD22  LEU  18          1HD2      LEU  18   2.363  12.875  -3.045
  130   HD23  LEU  18          2HD2      LEU  18   1.266  11.997  -4.107
  131    H    LYS  19           H        LYS  19  -3.422  14.013  -1.268
  132    HA   LYS  19           HA       LYS  19  -1.820  15.577   0.507
  133    HB2  LYS  19           2HB      LYS  19  -4.775  15.662  -0.082
  134    HB3  LYS  19           1HB      LYS  19  -3.989  16.755   1.035
  135    HG2  LYS  19           2HG      LYS  19  -4.245  17.896  -1.018
  136    HG3  LYS  19           1HG      LYS  19  -2.536  17.502  -0.855
  137    HD2  LYS  19           2HD      LYS  19  -2.782  15.646  -2.387
  138    HD3  LYS  19           1HD      LYS  19  -4.520  15.912  -2.482
  139    HE2  LYS  19           2HE      LYS  19  -3.571  16.845  -4.420
  140    HE3  LYS  19           1HE      LYS  19  -4.039  18.185  -3.380
  141    HZ1  LYS  19           3HZ      LYS  19  -1.904  18.684  -4.212
  142    HZ2  LYS  19           1HZ      LYS  19  -1.305  17.143  -3.861
  143    HZ3  LYS  19           2HZ      LYS  19  -1.669  18.215  -2.604
  144    H    ARG  20           H        ARG  20  -4.349  13.122   1.002
  145    HA   ARG  20           HA       ARG  20  -4.451  13.788   3.824
  146    HB2  ARG  20           2HB      ARG  20  -6.219  12.110   3.995
  147    HB3  ARG  20           1HB      ARG  20  -6.537  13.247   2.689
  148    HG2  ARG  20           2HG      ARG  20  -5.483  11.466   1.169
  149    HG3  ARG  20           1HG      ARG  20  -5.726  10.373   2.532
  150    HD2  ARG  20           2HD      ARG  20  -7.650  10.145   1.187
  151    HD3  ARG  20           1HD      ARG  20  -8.134  11.151   2.550
  152    HE   ARG  20           HE       ARG  20  -7.382  12.348  -0.034
  153   HH11  ARG  20          1HH1      ARG  20  -9.675  11.966   2.592
  154   HH12  ARG  20          2HH1      ARG  20 -10.776  13.149   1.949
  155   HH21  ARG  20          1HH2      ARG  20  -8.826  13.884  -0.880
  156   HH22  ARG  20          2HH2      ARG  20 -10.294  14.241  -0.014
  157    H    ILE  21           H        ILE  21  -3.006  11.346   1.796
  158    HA   ILE  21           HA       ILE  21  -2.301   9.621   3.975
  159    HB   ILE  21           HB       ILE  21  -2.477   8.730   1.713
  160   HG12  ILE  21          2HG1      ILE  21  -0.367   7.447   1.637
  161   HG13  ILE  21          1HG1      ILE  21   0.352   8.573   2.783
  162   HG21  ILE  21          1HG2      ILE  21  -0.748   9.226   0.029
  163   HG22  ILE  21          2HG2      ILE  21  -0.110  10.482   1.090
  164   HG23  ILE  21          3HG2      ILE  21  -1.739  10.627   0.430
  165   HD11  ILE  21          3HD1      ILE  21  -0.348   6.506   3.857
  166   HD12  ILE  21          1HD1      ILE  21  -2.006   6.781   3.323
  167   HD13  ILE  21          2HD1      ILE  21  -1.256   7.885   4.475
  168    H    ALA  22           H        ALA  22  -1.097  12.544   2.690
  169    HA   ALA  22           HA       ALA  22   1.557  12.309   3.810
  170    HB1  ALA  22           1HB      ALA  22   1.806  14.645   3.131
  171    HB2  ALA  22           2HB      ALA  22   0.091  14.716   2.728
  172    HB3  ALA  22           3HB      ALA  22   1.169  13.665   1.812
  173    H    ALA  23           H        ALA  23  -1.514  12.946   4.975
  174    HA   ALA  23           HA       ALA  23  -0.734  14.851   7.017
  175    HB1  ALA  23           1HB      ALA  23  -3.387  13.504   6.504
  176    HB2  ALA  23           2HB      ALA  23  -2.905  15.096   5.918
  177    HB3  ALA  23           3HB      ALA  23  -3.096  14.815   7.648
  178    H    GLU  24           H        GLU  24  -1.152  14.430   9.266
  179    HA   GLU  24           HA       GLU  24  -0.129  11.830  10.001
  180    HB2  GLU  24           2HB      GLU  24  -0.685  14.310  11.633
  181    HB3  GLU  24           1HB      GLU  24   0.018  12.834  12.284
  182    HG2  GLU  24           2HG      GLU  24   1.937  13.055  10.852
  183    HG3  GLU  24           1HG      GLU  24   1.220  14.446  10.047
  184    H    GLY  25           H        GLY  25  -3.127  13.394   9.803
  185    HA2  GLY  25           2HA      GLY  25  -4.421  11.369  11.477
  186    HA3  GLY  25           1HA      GLY  25  -5.208  12.756  10.737
  187    H    TYR  26           H        TYR  26  -3.351   9.917   9.731
  188    HA   TYR  26           HA       TYR  26  -4.682   9.912   7.181
  189    HB2  TYR  26           2HB      TYR  26  -3.206   7.886   6.771
  190    HB3  TYR  26           1HB      TYR  26  -2.367   9.395   7.099
  191    HD1  TYR  26           1HD      TYR  26  -1.138   9.711   9.170
  192    HD2  TYR  26           2HD      TYR  26  -3.137   6.045   8.370
  193    HE1  TYR  26           1HE      TYR  26   0.120   8.633  10.981
  194    HE2  TYR  26           2HE      TYR  26  -1.880   4.956  10.179
  195    HH   TYR  26           HH       TYR  26   0.135   5.225  11.446
  196    H    ALA  27           H        ALA  27  -4.669   7.930  10.103
  197    HA   ALA  27           HA       ALA  27  -6.219   5.824   8.916
  198    HB1  ALA  27           1HB      ALA  27  -5.622   6.317  11.828
  199    HB2  ALA  27           2HB      ALA  27  -4.588   5.420  10.717
  200    HB3  ALA  27           3HB      ALA  27  -6.196   4.813  11.108
  201    H    GLU  28           H        GLU  28  -7.035   8.854   9.922
  202    HA   GLU  28           HA       GLU  28  -9.721   8.034  10.770
  203    HB2  GLU  28           2HB      GLU  28  -9.934  10.362  11.632
  204    HB3  GLU  28           1HB      GLU  28  -8.660   9.433  12.410
  205    HG2  GLU  28           2HG      GLU  28  -6.995  10.547  11.019
  206    HG3  GLU  28           1HG      GLU  28  -8.271  11.477  10.237
  207    H    ASP  29           H        ASP  29  -8.267   8.640   7.995
  208    HA   ASP  29           HA       ASP  29 -10.329  10.402   6.913
  209    HB2  ASP  29           2HB      ASP  29  -8.093  10.879   6.148
  210    HB3  ASP  29           1HB      ASP  29  -7.868   9.205   5.638
  211    H    GLU  30           H        GLU  30 -12.087   9.651   6.017
  212    HA   GLU  30           HA       GLU  30 -12.740   6.927   6.162
  213    HB2  GLU  30           2HB      GLU  30 -14.352   8.795   6.360
  214    HB3  GLU  30           1HB      GLU  30 -14.157   9.120   4.644
  215    HG2  GLU  30           2HG      GLU  30 -15.046   6.907   4.123
  216    HG3  GLU  30           1HG      GLU  30 -15.248   6.586   5.845
  217    H    LEU  31           H        LEU  31 -11.546   8.899   3.527
  218    HA   LEU  31           HA       LEU  31 -12.198   7.099   1.438
  219    HB2  LEU  31           2HB      LEU  31 -10.626   9.552   1.762
  220    HB3  LEU  31           1HB      LEU  31 -10.004   8.467   0.535
  221    HG   LEU  31           HG       LEU  31 -12.795   9.634   0.633
  222   HD11  LEU  31          1HD1      LEU  31 -11.093  11.275   0.043
  223   HD12  LEU  31          2HD1      LEU  31 -12.102  10.878  -1.349
  224   HD13  LEU  31          3HD1      LEU  31 -10.480  10.199  -1.212
  225   HD21  LEU  31          3HD2      LEU  31 -12.934   7.476  -0.370
  226   HD22  LEU  31          1HD2      LEU  31 -11.486   7.766  -1.334
  227   HD23  LEU  31          2HD2      LEU  31 -12.964   8.667  -1.666
  228    H    LEU  32           H        LEU  32  -9.374   7.625   3.456
  229    HA   LEU  32           HA       LEU  32  -7.672   5.868   2.044
  230    HB2  LEU  32           2HB      LEU  32  -7.264   7.856   3.691
  231    HB3  LEU  32           1HB      LEU  32  -7.371   6.616   4.926
  232    HG   LEU  32           HG       LEU  32  -5.576   5.398   3.600
  233   HD11  LEU  32          1HD1      LEU  32  -5.748   6.696   1.555
  234   HD12  LEU  32          2HD1      LEU  32  -4.127   6.822   2.236
  235   HD13  LEU  32          3HD1      LEU  32  -5.269   8.152   2.428
  236   HD21  LEU  32          3HD2      LEU  32  -3.784   6.667   4.672
  237   HD22  LEU  32          1HD2      LEU  32  -5.159   6.442   5.753
  238   HD23  LEU  32          2HD2      LEU  32  -4.908   7.997   4.957
  239    H    LEU  33           H        LEU  33  -9.836   5.631   4.776
  240    HA   LEU  33           HA       LEU  33  -9.023   3.063   5.660
  241    HB2  LEU  33           2HB      LEU  33 -10.393   4.970   6.817
  242    HB3  LEU  33           1HB      LEU  33 -11.765   4.134   6.127
  243    HG   LEU  33           HG       LEU  33 -11.240   3.541   8.501
  244   HD11  LEU  33          1HD1      LEU  33 -12.592   2.067   7.121
  245   HD12  LEU  33          2HD1      LEU  33 -11.569   1.140   8.218
  246   HD13  LEU  33          3HD1      LEU  33 -11.132   1.284   6.515
  247   HD21  LEU  33          3HD2      LEU  33  -8.889   2.088   7.315
  248   HD22  LEU  33          1HD2      LEU  33  -9.390   2.105   9.003
  249   HD23  LEU  33          2HD2      LEU  33  -8.779   3.577   8.250
  250    H    ASN  34           H        ASN  34 -11.753   4.153   3.599
  251    HA   ASN  34           HA       ASN  34 -12.799   1.503   3.433
  252    HB2  ASN  34           2HB      ASN  34 -14.514   2.320   2.088
  253    HB3  ASN  34           1HB      ASN  34 -14.101   3.708   3.084
  254   HD21  ASN  34          1HD2      ASN  34 -13.259   5.517   2.139
  255   HD22  ASN  34          2HD2      ASN  34 -13.158   5.717   0.421
  256    H    GLN  35           H        GLN  35 -10.652   3.415   1.384
  257    HA   GLN  35           HA       GLN  35 -10.603   1.596  -0.785
  258    HB2  GLN  35           2HB      GLN  35  -8.811   3.777   0.192
  259    HB3  GLN  35           1HB      GLN  35  -8.245   2.712  -1.085
  260    HG2  GLN  35           2HG      GLN  35  -9.948   3.362  -2.543
  261    HG3  GLN  35           1HG      GLN  35 -10.883   4.123  -1.263
  262   HE21  GLN  35          1HE2      GLN  35  -8.779   5.617  -0.076
  263   HE22  GLN  35          2HE2      GLN  35  -8.311   6.842  -1.190
  264    H    MET  36           H        MET  36  -8.552   1.951   2.093
  265    HA   MET  36           HA       MET  36  -7.188  -0.529   1.387
  266    HB2  MET  36           2HB      MET  36  -5.947   1.523   2.234
  267    HB3  MET  36           1HB      MET  36  -6.633   1.166   3.817
  268    HG2  MET  36           2HG      MET  36  -4.315   0.269   3.366
  269    HG3  MET  36           1HG      MET  36  -5.510  -0.891   3.955
  270    HE1  MET  36           3HE      MET  36  -4.360  -3.066   3.167
  271    HE2  MET  36           1HE      MET  36  -2.952  -2.093   2.734
  272    HE3  MET  36           2HE      MET  36  -3.605  -3.265   1.586
  273    H    GLY  37           H        GLY  37 -10.039   0.039   2.627
  274    HA2  GLY  37           2HA      GLY  37  -9.890  -2.308   4.391
  275    HA3  GLY  37           1HA      GLY  37 -11.294  -1.262   4.181
  276    H    LYS  38           H        LYS  38 -11.124  -1.106   1.375
  277    HA   LYS  38           HA       LYS  38 -12.564  -3.325   0.483
  278    HB2  LYS  38           2HB      LYS  38 -12.676  -1.168  -0.619
  279    HB3  LYS  38           1HB      LYS  38 -10.967  -1.251  -1.019
  280    HG2  LYS  38           2HG      LYS  38 -11.392  -3.123  -2.515
  281    HG3  LYS  38           1HG      LYS  38 -13.105  -3.079  -2.095
  282    HD2  LYS  38           2HD      LYS  38 -12.728  -1.955  -4.217
  283    HD3  LYS  38           1HD      LYS  38 -13.255  -0.797  -2.996
  284    HE2  LYS  38           2HE      LYS  38 -10.874  -0.171  -2.642
  285    HE3  LYS  38           1HE      LYS  38 -10.432  -1.247  -3.966
  286    HZ1  LYS  38           3HZ      LYS  38 -10.600   1.017  -4.740
  287    HZ2  LYS  38           1HZ      LYS  38 -12.186   1.143  -4.163
  288    HZ3  LYS  38           2HZ      LYS  38 -11.828   0.091  -5.438
  289    H    VAL  39           H        VAL  39  -9.230  -2.379  -0.415
  290    HA   VAL  39           HA       VAL  39  -8.807  -5.133  -1.316
  291    HB   VAL  39           HB       VAL  39  -8.276  -3.260  -2.829
  292   HG11  VAL  39          1HG1      VAL  39  -6.217  -1.954  -2.490
  293   HG12  VAL  39          2HG1      VAL  39  -6.072  -2.641  -0.870
  294   HG13  VAL  39          3HG1      VAL  39  -7.450  -1.614  -1.276
  295   HG21  VAL  39          3HG2      VAL  39  -6.104  -4.127  -3.585
  296   HG22  VAL  39          1HG2      VAL  39  -7.251  -5.408  -3.190
  297   HG23  VAL  39          2HG2      VAL  39  -5.953  -5.009  -2.065
  298    H    ASN  40           H        ASN  40  -8.998  -5.309   1.220
  299    HA   ASN  40           HA       ASN  40  -6.277  -5.276   2.327
  300    HB2  ASN  40           2HB      ASN  40  -7.670  -3.317   3.087
  301    HB3  ASN  40           1HB      ASN  40  -8.750  -4.477   3.854
  302   HD21  ASN  40          1HD2      ASN  40  -5.256  -4.687   3.637
  303   HD22  ASN  40          2HD2      ASN  40  -4.964  -4.588   5.339
  304    H    ASP  41           H        ASP  41  -9.398  -6.733   2.120
  305    HA   ASP  41           HA       ASP  41  -9.072  -8.301   4.518
  306    HB2  ASP  41           2HB      ASP  41 -11.214  -8.157   2.407
  307    HB3  ASP  41           1HB      ASP  41 -11.247  -9.383   3.670
  308    H    THR  42           H        THR  42  -8.695  -8.823   1.063
  309    HA   THR  42           HA       THR  42  -7.691 -11.526   1.672
  310    HB   THR  42           HB       THR  42  -8.395 -12.147  -0.676
  311    HG1  THR  42           1HG      THR  42  -9.133 -10.569  -1.859
  312   HG21  THR  42          3HG2      THR  42 -10.753 -12.508  -0.080
  313   HG22  THR  42          1HG2      THR  42 -10.583 -11.370   1.257
  314   HG23  THR  42          2HG2      THR  42  -9.678 -12.885   1.266
  315    HA   PRO  43           HA       PRO  43  -4.532  -9.005  -0.642
  316    HB2  PRO  43           2HB      PRO  43  -2.960  -8.118   1.254
  317    HB3  PRO  43           1HB      PRO  43  -4.608  -7.476   1.145
  318    HG2  PRO  43           2HG      PRO  43  -3.515  -9.577   2.986
  319    HG3  PRO  43           1HG      PRO  43  -4.586  -8.217   3.369
  320    HD2  PRO  43           2HD      PRO  43  -5.384 -10.833   2.834
  321    HD3  PRO  43           1HD      PRO  43  -6.441  -9.410   2.787
  322    H    GLU  44           H        GLU  44  -4.508 -11.916   0.843
  323    HA   GLU  44           HA       GLU  44  -3.168 -13.725   0.923
  324    HB2  GLU  44           2HB      GLU  44  -2.425 -13.258  -1.333
  325    HB3  GLU  44           1HB      GLU  44  -1.252 -12.087  -0.740
  326    HG2  GLU  44           2HG      GLU  44   0.056 -13.784   0.282
  327    HG3  GLU  44           1HG      GLU  44  -1.195 -14.995   0.021
  328    H    GLU  45           H        GLU  45  -1.452 -10.707   1.590
  329    HA   GLU  45           HA       GLU  45   0.492 -11.861   3.281
  330    HB2  GLU  45           2HB      GLU  45   0.883  -9.706   2.288
  331    HB3  GLU  45           1HB      GLU  45  -0.538  -9.035   3.063
  332    HG2  GLU  45           2HG      GLU  45   1.467  -8.257   4.152
  333    HG3  GLU  45           1HG      GLU  45   0.535  -9.274   5.239
  334    H    GLU  46           H        GLU  46  -1.722  -9.453   4.639
  335    HA   GLU  46           HA       GLU  46  -2.566 -11.412   6.657
  336    HB2  GLU  46           2HB      GLU  46  -1.561  -8.633   7.300
  337    HB3  GLU  46           1HB      GLU  46  -2.223  -9.773   8.454
  338    HG2  GLU  46           2HG      GLU  46  -0.357 -11.187   8.282
  339    HG3  GLU  46           1HG      GLU  46   0.231 -10.367   6.839
  340    H    GLY  47           H        GLY  47  -3.014  -7.956   6.768
  341    HA2  GLY  47           2HA      GLY  47  -5.234  -7.458   5.303
  342    HA3  GLY  47           1HA      GLY  47  -5.872  -8.201   6.762
  343    H    MET  48           H        MET  48  -6.270  -6.938   8.419
  344    HA   MET  48           HA       MET  48  -6.095  -4.201   8.381
  345    HB2  MET  48           2HB      MET  48  -7.636  -5.236   9.827
  346    HB3  MET  48           1HB      MET  48  -6.379  -6.175  10.616
  347    HG2  MET  48           2HG      MET  48  -7.234  -4.354  12.013
  348    HG3  MET  48           1HG      MET  48  -5.503  -4.252  11.707
  349    HE1  MET  48           3HE      MET  48  -5.782  -0.573  11.705
  350    HE2  MET  48           1HE      MET  48  -4.814  -2.018  12.001
  351    HE3  MET  48           2HE      MET  48  -6.324  -1.776  12.876
  352    HA   PRO  49           HA       PRO  49  -2.142  -4.333  11.118
  353    HB2  PRO  49           2HB      PRO  49  -0.575  -6.564  10.937
  354    HB3  PRO  49           1HB      PRO  49  -1.780  -6.312  12.201
  355    HG2  PRO  49           2HG      PRO  49  -1.940  -7.966   9.729
  356    HG3  PRO  49           1HG      PRO  49  -2.606  -8.279  11.339
  357    HD2  PRO  49           2HD      PRO  49  -4.087  -7.388   9.234
  358    HD3  PRO  49           1HD      PRO  49  -4.493  -7.073  10.930
  359    H    LEU  50           H        LEU  50  -2.044  -6.189   8.094
  360    HA   LEU  50           HA       LEU  50   0.441  -5.256   7.216
  361    HB2  LEU  50           2HB      LEU  50   0.053  -6.297   5.237
  362    HB3  LEU  50           1HB      LEU  50  -1.117  -7.125   6.232
  363    HG   LEU  50           HG       LEU  50  -2.824  -5.432   5.317
  364   HD11  LEU  50          1HD1      LEU  50  -2.313  -4.592   3.079
  365   HD12  LEU  50          2HD1      LEU  50  -0.663  -5.201   3.214
  366   HD13  LEU  50          3HD1      LEU  50  -1.210  -3.896   4.268
  367   HD21  LEU  50          3HD2      LEU  50  -2.787  -7.785   4.785
  368   HD22  LEU  50          1HD2      LEU  50  -1.552  -7.504   3.560
  369   HD23  LEU  50          2HD2      LEU  50  -3.165  -6.826   3.353
  370    H    ARG  51           H        ARG  51  -2.819  -3.885   6.816
  371    HA   ARG  51           HA       ARG  51  -1.893  -1.808   5.121
  372    HB2  ARG  51           2HB      ARG  51  -4.031  -0.822   5.268
  373    HB3  ARG  51           1HB      ARG  51  -4.282  -2.556   5.244
  374    HG2  ARG  51           2HG      ARG  51  -4.710  -2.555   7.624
  375    HG3  ARG  51           1HG      ARG  51  -4.362  -0.824   7.704
  376    HD2  ARG  51           2HD      ARG  51  -6.229  -0.368   6.209
  377    HD3  ARG  51           1HD      ARG  51  -6.565  -2.093   6.083
  378    HE   ARG  51           HE       ARG  51  -6.614  -1.201   8.788
  379   HH11  ARG  51          1HH1      ARG  51  -8.480  -1.355   5.831
  380   HH12  ARG  51          2HH1      ARG  51 -10.012  -1.237   6.641
  381   HH21  ARG  51          1HH2      ARG  51  -8.619  -1.042   9.859
  382   HH22  ARG  51          2HH2      ARG  51 -10.089  -1.065   8.941
  383    H    ALA  52           H        ALA  52  -2.184  -2.166   8.580
  384    HA   ALA  52           HA       ALA  52  -1.696   0.461   9.347
  385    HB1  ALA  52           1HB      ALA  52  -0.796  -0.463  11.419
  386    HB2  ALA  52           2HB      ALA  52  -0.688  -2.056  10.669
  387    HB3  ALA  52           3HB      ALA  52  -2.263  -1.311  10.933
  388    H    TRP  53           H        TRP  53   0.701  -2.135   8.618
  389    HA   TRP  53           HA       TRP  53   2.867  -0.282   8.893
  390    HB2  TRP  53           2HB      TRP  53   4.358  -2.007   8.298
  391    HB3  TRP  53           1HB      TRP  53   3.084  -2.770   9.222
  392    HD1  TRP  53           HD       TRP  53   1.994  -4.830   8.210
  393    HE1  TRP  53           1HE      TRP  53   2.140  -6.066   5.957
  394    HE3  TRP  53           3HE      TRP  53   4.740  -1.428   5.580
  395    HZ2  TRP  53           2HZ      TRP  53   3.274  -5.668   3.423
  396    HZ3  TRP  53           3HZ      TRP  53   5.330  -1.938   3.251
  397    HH2  TRP  53           HH       TRP  53   4.606  -4.016   2.190
  398    H    VAL  54           H        VAL  54   0.989  -1.462   6.198
  399    HA   VAL  54           HA       VAL  54   2.596  -0.447   4.124
  400    HB   VAL  54           HB       VAL  54  -0.044  -1.622   4.419
  401   HG11  VAL  54          1HG1      VAL  54   0.347   0.340   2.153
  402   HG12  VAL  54          2HG1      VAL  54  -0.834   0.479   3.456
  403   HG13  VAL  54          3HG1      VAL  54  -0.968  -0.827   2.278
  404   HG21  VAL  54          3HG2      VAL  54   1.928  -1.646   2.151
  405   HG22  VAL  54          1HG2      VAL  54   0.558  -2.735   2.351
  406   HG23  VAL  54          2HG2      VAL  54   1.893  -2.778   3.503
  407    H    ILE  55           H        ILE  55  -0.270   0.936   5.725
  408    HA   ILE  55           HA       ILE  55  -0.230   3.375   4.312
  409    HB   ILE  55           HB       ILE  55  -1.416   2.637   6.988
  410   HG12  ILE  55          2HG1      ILE  55  -2.679   3.043   4.273
  411   HG13  ILE  55          1HG1      ILE  55  -2.330   1.482   5.010
  412   HG21  ILE  55          1HG2      ILE  55  -2.760   4.668   6.818
  413   HG22  ILE  55          2HG2      ILE  55  -1.834   5.154   5.397
  414   HG23  ILE  55          3HG2      ILE  55  -1.039   5.022   6.966
  415   HD11  ILE  55          3HD1      ILE  55  -4.680   2.073   5.222
  416   HD12  ILE  55          1HD1      ILE  55  -4.240   3.549   6.082
  417   HD13  ILE  55          2HD1      ILE  55  -3.904   1.975   6.803
  418    H    LYS  56           H        LYS  56   1.244   2.342   7.363
  419    HA   LYS  56           HA       LYS  56   2.320   4.838   8.103
  420    HB2  LYS  56           2HB      LYS  56   2.214   3.003   9.681
  421    HB3  LYS  56           1HB      LYS  56   3.274   2.028   8.679
  422    HG2  LYS  56           2HG      LYS  56   4.469   2.903  10.591
  423    HG3  LYS  56           1HG      LYS  56   5.109   3.588   9.097
  424    HD2  LYS  56           2HD      LYS  56   3.874   5.644   9.480
  425    HD3  LYS  56           1HD      LYS  56   3.137   4.955  10.930
  426    HE2  LYS  56           2HE      LYS  56   5.317   4.791  11.986
  427    HE3  LYS  56           1HE      LYS  56   6.096   5.399  10.526
  428    HZ1  LYS  56           3HZ      LYS  56   4.134   6.915  12.158
  429    HZ2  LYS  56           1HZ      LYS  56   4.981   7.496  10.808
  430    HZ3  LYS  56           2HZ      LYS  56   5.809   7.113  12.235
  431    H    CYS  57           H        CYS  57   3.712   2.151   6.238
  432    HA   CYS  57           HA       CYS  57   6.253   3.298   5.867
  433    HB2  CYS  57           2HB      CYS  57   5.709   0.893   5.524
  434    HB3  CYS  57           1HB      CYS  57   4.836   1.328   4.061
  435    HG   CYS  57           HG       CYS  57   7.538   0.175   3.744
  436    H    ALA  58           H        ALA  58   3.373   3.297   3.768
  437    HA   ALA  58           HA       ALA  58   4.507   4.777   1.658
  438    HB1  ALA  58           1HB      ALA  58   1.621   4.620   2.528
  439    HB2  ALA  58           2HB      ALA  58   2.430   3.519   1.415
  440    HB3  ALA  58           3HB      ALA  58   2.196   5.207   0.969
  441    H    HIS  59           H        HIS  59   2.899   5.729   4.624
  442    HA   HIS  59           HA       HIS  59   2.642   8.480   4.119
  443    HB2  HIS  59           2HB      HIS  59   1.533   7.244   5.978
  444    HB3  HIS  59           1HB      HIS  59   3.090   7.097   6.778
  445    HD1  HIS  59           1HD      HIS  59   1.822   8.376   8.759
  446    HD2  HIS  59           2HD      HIS  59   2.545  10.590   5.326
  447    HE1  HIS  59           1HE      HIS  59   1.438  10.767   9.406
  448    HE2  HIS  59           2HE      HIS  59   2.067  12.097   7.368
  449    H    GLU  60           H        GLU  60   5.182   6.676   5.845
  450    HA   GLU  60           HA       GLU  60   6.818   8.920   6.354
  451    HB2  GLU  60           2HB      GLU  60   7.674   6.031   6.112
  452    HB3  GLU  60           1HB      GLU  60   8.546   7.315   6.936
  453    HG2  GLU  60           2HG      GLU  60   5.879   6.175   7.729
  454    HG3  GLU  60           1HG      GLU  60   7.424   5.887   8.529
  455    H    ALA  61           H        ALA  61   6.708   6.582   3.715
  456    HA   ALA  61           HA       ALA  61   9.043   7.301   2.363
  457    HB1  ALA  61           1HB      ALA  61   6.424   6.333   1.209
  458    HB2  ALA  61           2HB      ALA  61   7.753   5.318   1.774
  459    HB3  ALA  61           3HB      ALA  61   7.970   6.351   0.361
  460    H    LEU  62           H        LEU  62   5.775   8.597   2.138
  461    HA   LEU  62           HA       LEU  62   6.390  10.462   0.074
  462    HB2  LEU  62           2HB      LEU  62   4.168   9.525   0.431
  463    HB3  LEU  62           1HB      LEU  62   4.066  10.315   1.991
  464    HG   LEU  62           HG       LEU  62   4.359  11.907  -0.546
  465   HD11  LEU  62          1HD1      LEU  62   2.441  10.487  -0.884
  466   HD12  LEU  62          2HD1      LEU  62   1.899  12.127  -0.521
  467   HD13  LEU  62          3HD1      LEU  62   1.830  10.880   0.723
  468   HD21  LEU  62          3HD2      LEU  62   3.310  13.656   0.757
  469   HD22  LEU  62          1HD2      LEU  62   4.718  13.041   1.622
  470   HD23  LEU  62          2HD2      LEU  62   3.098  12.554   2.118
  471    H    GLU  63           H        GLU  63   5.883  10.809   3.579
  472    HA   GLU  63           HA       GLU  63   6.382  13.532   3.721
  473    HB2  GLU  63           2HB      GLU  63   6.753  11.338   5.731
  474    HB3  GLU  63           1HB      GLU  63   7.161  13.003   6.112
  475    HG2  GLU  63           2HG      GLU  63   4.809  13.608   5.445
  476    HG3  GLU  63           1HG      GLU  63   4.461  11.879   5.408
  477    H    LYS  64           H        LYS  64   8.647  10.924   3.270
  478    HA   LYS  64           HA       LYS  64  10.937  12.579   3.955
  479    HB2  LYS  64           2HB      LYS  64  10.982  10.136   4.386
  480    HB3  LYS  64           1HB      LYS  64  10.819   9.840   2.662
  481    HG2  LYS  64           2HG      LYS  64  12.975  10.889   2.257
  482    HG3  LYS  64           1HG      LYS  64  13.135  11.250   3.977
  483    HD2  LYS  64           2HD      LYS  64  13.058   8.831   4.463
  484    HD3  LYS  64           1HD      LYS  64  12.971   8.504   2.731
  485    HE2  LYS  64           2HE      LYS  64  15.226   9.968   4.096
  486    HE3  LYS  64           1HE      LYS  64  15.253   8.258   3.674
  487    HZ1  LYS  64           3HZ      LYS  64  14.919  10.469   1.721
  488    HZ2  LYS  64           1HZ      LYS  64  15.087   8.826   1.362
  489    HZ3  LYS  64           2HZ      LYS  64  16.378   9.681   2.037
  490    H    ASN  65           H        ASN  65   9.460  11.124   1.121
  491    HA   ASN  65           HA       ASN  65  10.433  13.361  -0.486
  492    HB2  ASN  65           2HB      ASN  65  11.998  11.666  -1.079
  493    HB3  ASN  65           1HB      ASN  65  10.746  10.436  -1.151
  494   HD21  ASN  65          1HD2      ASN  65   9.268  10.470  -2.860
  495   HD22  ASN  65          2HD2      ASN  65   9.701  11.206  -4.387
  496    HA   PRO  66           HA       PRO  66   6.062  12.675  -1.273
  497    HB2  PRO  66           2HB      PRO  66   5.228  15.144  -0.894
  498    HB3  PRO  66           1HB      PRO  66   5.884  14.236   0.457
  499    HG2  PRO  66           2HG      PRO  66   7.170  16.402  -1.138
  500    HG3  PRO  66           1HG      PRO  66   7.298  16.052   0.596
  501    HD2  PRO  66           2HD      PRO  66   9.099  15.244  -1.444
  502    HD3  PRO  66           1HD      PRO  66   9.102  14.726   0.254
  503    H    LYS  67           H        LYS  67   8.258  13.223  -3.298
  504    HA   LYS  67           HA       LYS  67   6.678  14.654  -5.323
  505    HB2  LYS  67           2HB      LYS  67   9.623  13.960  -5.283
  506    HB3  LYS  67           1HB      LYS  67   8.805  14.812  -6.584
  507    HG2  LYS  67           2HG      LYS  67   8.271  16.643  -5.058
  508    HG3  LYS  67           1HG      LYS  67   9.085  15.787  -3.747
  509    HD2  LYS  67           2HD      LYS  67  10.390  16.717  -6.308
  510    HD3  LYS  67           1HD      LYS  67  10.502  17.536  -4.749
  511    HE2  LYS  67           2HE      LYS  67  11.535  15.492  -3.803
  512    HE3  LYS  67           1HE      LYS  67  11.507  14.770  -5.410
  513    HZ1  LYS  67           3HZ      LYS  67  13.663  15.722  -4.906
  514    HZ2  LYS  67           1HZ      LYS  67  12.967  17.242  -4.654
  515    HZ3  LYS  67           2HZ      LYS  67  12.943  16.546  -6.192
  516    H    ILE  68           H        ILE  68   6.887  11.667  -4.267
  517    HA   ILE  68           HA       ILE  68   7.427  10.223  -6.689
  518    HB   ILE  68           HB       ILE  68   6.263   8.311  -5.405
  519   HG12  ILE  68          2HG1      ILE  68   6.703  10.273  -3.146
  520   HG13  ILE  68          1HG1      ILE  68   5.143   9.719  -3.749
  521   HG21  ILE  68          1HG2      ILE  68   8.325   7.921  -4.057
  522   HG22  ILE  68          2HG2      ILE  68   8.865   9.528  -4.539
  523   HG23  ILE  68          3HG2      ILE  68   8.602   8.287  -5.758
  524   HD11  ILE  68          3HD1      ILE  68   5.668   7.451  -3.031
  525   HD12  ILE  68          1HD1      ILE  68   5.760   8.590  -1.686
  526   HD13  ILE  68          2HD1      ILE  68   7.239   7.997  -2.443
  527    H    ARG  69           H        ARG  69   5.836   8.694  -7.529
  528    HA   ARG  69           HA       ARG  69   3.246  10.022  -7.962
  529    HB2  ARG  69           2HB      ARG  69   4.336   7.811  -9.679
  530    HB3  ARG  69           1HB      ARG  69   3.204   9.082 -10.114
  531    HG2  ARG  69           2HG      ARG  69   4.869  10.636 -10.453
  532    HG3  ARG  69           1HG      ARG  69   6.016   9.792  -9.409
  533    HD2  ARG  69           2HD      ARG  69   5.105   8.980 -12.163
  534    HD3  ARG  69           1HD      ARG  69   6.719   9.499 -11.680
  535    HE   ARG  69           HE       ARG  69   5.512   7.033 -10.594
  536   HH11  ARG  69          1HH1      ARG  69   8.157   8.652 -12.238
  537   HH12  ARG  69          2HH1      ARG  69   9.162   7.240 -12.251
  538   HH21  ARG  69          1HH2      ARG  69   6.823   5.213 -10.583
  539   HH22  ARG  69          2HH2      ARG  69   8.409   5.277 -11.302
  540    H    GLU  70           H        GLU  70   4.785   6.863  -7.781
  541    HA   GLU  70           HA       GLU  70   2.856   5.928  -5.881
  542    HB2  GLU  70           2HB      GLU  70   2.610   3.792  -7.454
  543    HB3  GLU  70           1HB      GLU  70   1.522   5.167  -7.560
  544    HG2  GLU  70           2HG      GLU  70   2.109   4.475  -9.762
  545    HG3  GLU  70           1HG      GLU  70   2.832   6.046  -9.439
  546    H    VAL  71           H        VAL  71   3.593   3.968  -4.810
  547    HA   VAL  71           HA       VAL  71   6.499   3.619  -5.157
  548    HB   VAL  71           HB       VAL  71   5.861   4.970  -3.153
  549   HG11  VAL  71          1HG1      VAL  71   4.930   3.777  -1.199
  550   HG12  VAL  71          2HG1      VAL  71   4.587   2.400  -2.246
  551   HG13  VAL  71          3HG1      VAL  71   3.793   3.949  -2.534
  552   HG21  VAL  71          3HG2      VAL  71   7.983   3.802  -3.200
  553   HG22  VAL  71          1HG2      VAL  71   7.216   2.338  -2.581
  554   HG23  VAL  71          2HG2      VAL  71   7.310   3.780  -1.571
  555    H    TYR  72           H        TYR  72   7.359   1.568  -4.397
  556    HA   TYR  72           HA       TYR  72   5.438  -0.602  -4.906
  557    HB2  TYR  72           2HB      TYR  72   8.423  -0.747  -5.331
  558    HB3  TYR  72           1HB      TYR  72   7.175  -1.803  -5.993
  559    HD1  TYR  72           2HD      TYR  72   5.499  -0.761  -7.622
  560    HD2  TYR  72           1HD      TYR  72   9.170   1.095  -6.548
  561    HE1  TYR  72           2HE      TYR  72   5.347   0.684  -9.610
  562    HE2  TYR  72           1HE      TYR  72   9.025   2.552  -8.522
  563    HH   TYR  72           HH       TYR  72   6.209   2.969 -10.260
  564    H    LEU  73           H        LEU  73   4.954  -1.714  -3.173
  565    HA   LEU  73           HA       LEU  73   6.955  -1.962  -1.030
  566    HB2  LEU  73           2HB      LEU  73   4.017  -1.610  -1.049
  567    HB3  LEU  73           1HB      LEU  73   4.678  -2.650   0.201
  568    HG   LEU  73           HG       LEU  73   5.390   0.247  -0.269
  569   HD11  LEU  73          1HD1      LEU  73   3.186  -0.075   0.735
  570   HD12  LEU  73          2HD1      LEU  73   4.324   0.599   1.902
  571   HD13  LEU  73          3HD1      LEU  73   3.895  -1.112   1.975
  572   HD21  LEU  73          3HD2      LEU  73   6.460  -1.819   1.635
  573   HD22  LEU  73          1HD2      LEU  73   6.616  -0.084   1.925
  574   HD23  LEU  73          2HD2      LEU  73   7.352  -0.811   0.498
  575    H    LYS  74           H        LYS  74   7.595  -3.923  -0.359
  576    HA   LYS  74           HA       LYS  74   6.154  -6.238  -1.450
  577    HB2  LYS  74           2HB      LYS  74   8.754  -5.675  -1.892
  578    HB3  LYS  74           1HB      LYS  74   8.909  -6.602  -0.408
  579    HG2  LYS  74           2HG      LYS  74   7.428  -7.590  -2.835
  580    HG3  LYS  74           1HG      LYS  74   9.132  -7.920  -2.524
  581    HD2  LYS  74           2HD      LYS  74   8.658  -9.249  -0.666
  582    HD3  LYS  74           1HD      LYS  74   7.038  -8.575  -0.480
  583    HE2  LYS  74           2HE      LYS  74   7.028 -10.882  -1.367
  584    HE3  LYS  74           1HE      LYS  74   6.284  -9.718  -2.460
  585    HZ1  LYS  74           3HZ      LYS  74   7.705 -11.235  -3.664
  586    HZ2  LYS  74           1HZ      LYS  74   9.030 -10.823  -2.696
  587    HZ3  LYS  74           2HZ      LYS  74   8.351  -9.674  -3.733
  588    HA   PRO  75           HA       PRO  75   4.432  -7.005   2.598
  589    HB2  PRO  75           2HB      PRO  75   4.883  -9.756   1.544
  590    HB3  PRO  75           1HB      PRO  75   3.446  -9.064   2.302
  591    HG2  PRO  75           2HG      PRO  75   3.750  -9.380  -0.391
  592    HG3  PRO  75           1HG      PRO  75   2.696  -8.167   0.352
  593    HD2  PRO  75           2HD      PRO  75   5.126  -7.788  -1.166
  594    HD3  PRO  75           1HD      PRO  75   3.992  -6.568  -0.568
  595    H    ARG  76           H        ARG  76   5.071  -7.708   4.552
  596    HA   ARG  76           HA       ARG  76   7.820  -7.881   5.135
  597    HB2  ARG  76           2HB      ARG  76   5.611  -8.905   6.910
  598    HB3  ARG  76           1HB      ARG  76   7.174  -8.271   7.397
  599    HG2  ARG  76           2HG      ARG  76   6.486  -6.044   6.579
  600    HG3  ARG  76           1HG      ARG  76   4.887  -6.705   6.226
  601    HD2  ARG  76           2HD      ARG  76   6.214  -6.625   8.931
  602    HD3  ARG  76           1HD      ARG  76   4.933  -5.549   8.383
  603    HE   ARG  76           HE       ARG  76   3.613  -7.746   8.147
  604   HH11  ARG  76          1HH1      ARG  76   6.046  -7.137  10.588
  605   HH12  ARG  76          2HH1      ARG  76   5.302  -8.163  11.769
  606   HH21  ARG  76          1HH2      ARG  76   2.605  -9.080   9.718
  607   HH22  ARG  76          2HH2      ARG  76   3.347  -9.266  11.276
  608    H    ALA  77           H        ALA  77   5.263 -10.285   4.841
  609    HA   ALA  77           HA       ALA  77   6.996 -12.480   5.476
  610    HB1  ALA  77           1HB      ALA  77   4.609 -12.632   5.931
  611    HB2  ALA  77           2HB      ALA  77   5.116 -13.896   4.810
  612    HB3  ALA  77           3HB      ALA  77   4.259 -12.476   4.211
  613    H    VAL  78           H        VAL  78   8.703 -12.103   4.056
  614    HA   VAL  78           HA       VAL  78   8.599 -12.011   1.271
  615    HB   VAL  78           HB       VAL  78  10.728 -13.323   2.980
  616   HG11  VAL  78          1HG1      VAL  78  12.242 -12.863   1.124
  617   HG12  VAL  78          2HG1      VAL  78  10.905 -12.202   0.184
  618   HG13  VAL  78          3HG1      VAL  78  10.921 -13.915   0.613
  619   HG21  VAL  78          3HG2      VAL  78  10.507 -10.476   2.005
  620   HG22  VAL  78          1HG2      VAL  78  11.872 -11.164   2.883
  621   HG23  VAL  78          2HG2      VAL  78  10.300 -11.022   3.668
  622    H    LYS  79           H        LYS  79   8.053 -14.597   3.470
  623    HA   LYS  79           HA       LYS  79   8.447 -16.847   1.889
  624    HB2  LYS  79           2HB      LYS  79   7.946 -16.911   4.299
  625    HB3  LYS  79           1HB      LYS  79   6.308 -16.369   3.974
  626    HG2  LYS  79           2HG      LYS  79   6.323 -18.743   4.382
  627    HG3  LYS  79           1HG      LYS  79   5.892 -18.430   2.702
  628    HD2  LYS  79           2HD      LYS  79   7.430 -20.291   2.812
  629    HD3  LYS  79           1HD      LYS  79   8.226 -18.915   2.048
  630    HE2  LYS  79           2HE      LYS  79   9.723 -20.012   3.617
  631    HE3  LYS  79           1HE      LYS  79   9.333 -18.385   4.165
  632    HZ1  LYS  79           3HZ      LYS  79   7.738 -19.312   5.710
  633    HZ2  LYS  79           1HZ      LYS  79   9.261 -19.997   5.971
  634    HZ3  LYS  79           2HZ      LYS  79   8.066 -20.878   5.164
  635    H    ASN  80           H        ASN  80   5.878 -14.453   1.797
  636    HA   ASN  80           HA       ASN  80   3.942 -16.012   0.454
  637    HB2  ASN  80           2HB      ASN  80   4.383 -13.030   0.465
  638    HB3  ASN  80           1HB      ASN  80   3.017 -13.811  -0.324
  639   HD21  ASN  80          1HD2      ASN  80   3.051 -11.910   1.849
  640   HD22  ASN  80          2HD2      ASN  80   2.264 -12.672   3.172
  641    H    SER  81           H        SER  81   6.588 -14.008  -0.661
  642    HA   SER  81           HA       SER  81   7.726 -13.868  -2.601
  643    HB2  SER  81           2HB      SER  81   6.260 -16.403  -3.359
  644    HB3  SER  81           1HB      SER  81   7.720 -15.774  -4.124
  645    HG   SER  81           HG       SER  81   7.493 -16.523  -1.391
  646    H    SER  82           H        SER  82   4.387 -14.859  -3.331
  647    HA   SER  82           HA       SER  82   4.520 -13.801  -5.982
  648    HB2  SER  82           2HB      SER  82   2.079 -14.781  -4.509
  649    HB3  SER  82           1HB      SER  82   2.352 -14.749  -6.252
  650    HG   SER  82           HG       SER  82   3.443 -16.462  -4.301
  651    H    VAL  83           H        VAL  83   3.040 -12.693  -2.957
  652    HA   VAL  83           HA       VAL  83   1.489 -10.720  -4.408
  653    HB   VAL  83           HB       VAL  83   0.516 -11.965  -2.473
  654   HG11  VAL  83          1HG1      VAL  83   1.115 -11.528  -0.238
  655   HG12  VAL  83          2HG1      VAL  83   2.108 -10.149  -0.693
  656   HG13  VAL  83          3HG1      VAL  83   2.644 -11.779  -1.082
  657   HG21  VAL  83          3HG2      VAL  83   0.591  -8.962  -2.219
  658   HG22  VAL  83          1HG2      VAL  83  -0.622 -10.024  -1.506
  659   HG23  VAL  83          2HG2      VAL  83  -0.483  -9.899  -3.258
  660    H    GLN  84           H        GLN  84   1.793  -8.568  -4.437
  661    HA   GLN  84           HA       GLN  84   3.775  -7.339  -2.701
  662    HB2  GLN  84           2HB      GLN  84   4.870  -6.181  -4.586
  663    HB3  GLN  84           1HB      GLN  84   5.103  -7.919  -4.641
  664    HG2  GLN  84           2HG      GLN  84   3.172  -7.991  -6.273
  665    HG3  GLN  84           1HG      GLN  84   3.311  -6.234  -6.355
  666   HE21  GLN  84          1HE2      GLN  84   4.815  -9.263  -7.096
  667   HE22  GLN  84          2HE2      GLN  84   6.019  -8.644  -8.168
  668    H    PHE  85           H        PHE  85   3.560  -4.996  -2.627
  669    HA   PHE  85           HA       PHE  85   0.783  -4.243  -3.241
  670    HB2  PHE  85           2HB      PHE  85   2.610  -3.240  -1.050
  671    HB3  PHE  85           1HB      PHE  85   0.990  -2.628  -1.367
  672    HD1  PHE  85           1HD      PHE  85  -0.915  -4.386  -1.318
  673    HD2  PHE  85           2HD      PHE  85   2.906  -4.959   0.457
  674    HE1  PHE  85           1HE      PHE  85  -1.860  -6.126   0.140
  675    HE2  PHE  85           2HE      PHE  85   1.970  -6.702   1.918
  676    HZ   PHE  85           HZ       PHE  85  -0.414  -7.289   1.758
  677    H    HIS  86           H        HIS  86   0.437  -2.694  -4.629
  678    HA   HIS  86           HA       HIS  86   2.644  -0.860  -5.303
  679    HB2  HIS  86           2HB      HIS  86   1.546  -2.394  -7.090
  680    HB3  HIS  86           1HB      HIS  86   0.169  -1.310  -6.969
  681    HD1  HIS  86           1HD      HIS  86   1.959  -1.707  -9.538
  682    HD2  HIS  86           2HD      HIS  86   2.258   1.433  -6.828
  683    HE1  HIS  86           1HE      HIS  86   3.022   0.178 -10.806
  684    HE2  HIS  86           2HE      HIS  86   3.383   1.997  -9.096
  685    H    VAL  87           H        VAL  87   2.385   0.883  -4.015
  686    HA   VAL  87           HA       VAL  87  -0.311   1.780  -3.355
  687    HB   VAL  87           HB       VAL  87   2.391   2.635  -2.310
  688   HG11  VAL  87          1HG1      VAL  87   0.895   4.553  -2.334
  689   HG12  VAL  87          2HG1      VAL  87   1.162   3.998  -0.682
  690   HG13  VAL  87          3HG1      VAL  87  -0.346   3.612  -1.509
  691   HG21  VAL  87          3HG2      VAL  87   0.112   1.148  -1.012
  692   HG22  VAL  87          1HG2      VAL  87   1.610   1.630  -0.216
  693   HG23  VAL  87          2HG2      VAL  87   1.647   0.450  -1.528
  694    H    ILE  88           H        ILE  88  -1.257   3.199  -4.601
  695    HA   ILE  88           HA       ILE  88   0.405   4.896  -6.308
  696    HB   ILE  88           HB       ILE  88  -2.482   4.088  -6.632
  697   HG12  ILE  88          2HG1      ILE  88  -0.027   3.269  -8.202
  698   HG13  ILE  88          1HG1      ILE  88  -0.813   2.274  -6.981
  699   HG21  ILE  88          1HG2      ILE  88  -0.694   5.690  -8.457
  700   HG22  ILE  88          2HG2      ILE  88  -2.094   6.295  -7.569
  701   HG23  ILE  88          3HG2      ILE  88  -2.312   5.112  -8.862
  702   HD11  ILE  88          3HD1      ILE  88  -2.064   3.216  -9.548
  703   HD12  ILE  88          1HD1      ILE  88  -2.828   2.189  -8.335
  704   HD13  ILE  88          2HD1      ILE  88  -1.430   1.599  -9.236
  705    H    PHE  89           H        PHE  89   0.314   7.062  -6.199
  706    HA   PHE  89           HA       PHE  89  -1.392   8.146  -4.087
  707    HB2  PHE  89           2HB      PHE  89   1.134   9.208  -5.341
  708    HB3  PHE  89           1HB      PHE  89   0.162  10.086  -4.165
  709    HD1  PHE  89           2HD      PHE  89  -0.263   9.058  -1.939
  710    HD2  PHE  89           1HD      PHE  89   2.676   7.590  -4.633
  711    HE1  PHE  89           2HE      PHE  89   0.806   7.838  -0.097
  712    HE2  PHE  89           1HE      PHE  89   3.746   6.356  -2.795
  713    HZ   PHE  89           HZ       PHE  89   2.791   6.488  -0.539
  714    H    ASP  90           H        ASP  90  -3.248   8.944  -4.856
  715    HA   ASP  90           HA       ASP  90  -3.259  10.309  -7.463
  716    HB2  ASP  90           2HB      ASP  90  -4.989   8.544  -6.959
  717    HB3  ASP  90           1HB      ASP  90  -5.636   9.616  -5.728
  718    H    GLU  91           H        GLU  91  -3.519  12.568  -7.553
  719    HA   GLU  91           HA       GLU  91  -3.518  13.840  -4.943
  720    HB2  GLU  91           2HB      GLU  91  -3.135  14.966  -7.713
  721    HB3  GLU  91           1HB      GLU  91  -3.196  15.964  -6.268
  722    HG2  GLU  91           2HG      GLU  91  -1.316  14.377  -5.424
  723    HG3  GLU  91           1HG      GLU  91  -1.114  14.017  -7.139
  724    H    GLU  92           H        GLU  92  -5.375  13.945  -4.046
  725    HA   GLU  92           HA       GLU  92  -7.165  15.985  -4.723
  726    HB2  GLU  92           2HB      GLU  92  -7.896  13.313  -5.679
  727    HB3  GLU  92           1HB      GLU  92  -9.108  14.023  -4.626
  728    HG2  GLU  92           2HG      GLU  92  -8.923  16.087  -6.125
  729    HG3  GLU  92           1HG      GLU  92  -8.097  15.019  -7.258
  Start of MODEL    7
    1    H1   GLY   1           1HT      GLY   1 -10.440  -6.104 -15.074
    2    H2   GLY   1           2HT      GLY   1  -9.293  -5.363 -14.077
    3    H3   GLY   1           3HT      GLY   1 -10.024  -6.809 -13.595
    4    HA2  GLY   1           1HA      GLY   1  -8.224  -6.485 -15.927
    5    HA3  GLY   1           2HA      GLY   1  -7.772  -7.194 -14.384
    6    H    SER   2           H        SER   2  -8.006  -8.234 -17.243
    7    HA   SER   2           HA       SER   2  -9.383 -10.709 -16.500
    8    HB2  SER   2           2HB      SER   2  -9.778  -9.239 -19.117
    9    HB3  SER   2           1HB      SER   2 -10.398 -10.850 -18.756
   10    HG   SER   2           HG       SER   2 -11.123  -9.229 -16.781
   11    H    ALA   3           H        ALA   3  -8.525 -12.566 -17.393
   12    HA   ALA   3           HA       ALA   3  -6.858 -13.943 -18.064
   13    HB1  ALA   3           1HB      ALA   3  -6.267 -11.804 -20.106
   14    HB2  ALA   3           2HB      ALA   3  -7.474 -13.077 -20.285
   15    HB3  ALA   3           3HB      ALA   3  -5.764 -13.494 -20.173
   16    H    MET   4           H        MET   4  -6.335 -12.293 -15.910
   17    HA   MET   4           HA       MET   4  -3.456 -11.746 -16.205
   18    HB2  MET   4           2HB      MET   4  -5.065  -9.783 -15.720
   19    HB3  MET   4           1HB      MET   4  -5.243 -10.490 -14.123
   20    HG2  MET   4           2HG      MET   4  -2.621  -9.628 -15.318
   21    HG3  MET   4           1HG      MET   4  -3.605  -8.636 -14.249
   22    HE1  MET   4           3HE      MET   4  -0.566  -9.624 -11.984
   23    HE2  MET   4           1HE      MET   4  -1.531  -8.294 -12.624
   24    HE3  MET   4           2HE      MET   4  -0.540  -9.267 -13.710
   25    H    GLY   5           H        GLY   5  -2.274 -13.233 -15.210
   26    HA2  GLY   5           2HA      GLY   5  -3.481 -15.069 -13.341
   27    HA3  GLY   5           1HA      GLY   5  -1.828 -15.119 -13.941
   28    H    HIS   6           H        HIS   6  -3.939 -13.222 -11.822
   29    HA   HIS   6           HA       HIS   6  -1.675 -12.206 -10.341
   30    HB2  HIS   6           2HB      HIS   6  -3.370 -11.027  -8.970
   31    HB3  HIS   6           1HB      HIS   6  -3.541 -10.704 -10.689
   32    HD1  HIS   6           1HD      HIS   6  -5.260 -12.379  -7.809
   33    HD2  HIS   6           2HD      HIS   6  -5.921 -11.613 -11.842
   34    HE1  HIS   6           1HE      HIS   6  -7.684 -12.907  -8.209
   35    HE2  HIS   6           2HE      HIS   6  -8.000 -12.633 -10.693
   36    H    MET   7           H        MET   7  -2.278 -15.103 -10.348
   37    HA   MET   7           HA       MET   7  -2.591 -15.465  -7.456
   38    HB2  MET   7           2HB      MET   7  -4.208 -16.724  -8.857
   39    HB3  MET   7           1HB      MET   7  -2.863 -17.580  -9.598
   40    HG2  MET   7           2HG      MET   7  -2.256 -18.528  -7.449
   41    HG3  MET   7           1HG      MET   7  -3.557 -17.631  -6.671
   42    HE1  MET   7           3HE      MET   7  -4.929 -21.241  -6.419
   43    HE2  MET   7           1HE      MET   7  -4.550 -19.746  -5.563
   44    HE3  MET   7           2HE      MET   7  -3.251 -20.728  -6.243
   45    HA   PRO   8           HA       PRO   8   1.503 -17.844  -8.525
   46    HB2  PRO   8           2HB      PRO   8   2.595 -17.267 -10.973
   47    HB3  PRO   8           1HB      PRO   8   1.639 -18.713 -10.640
   48    HG2  PRO   8           2HG      PRO   8   0.807 -16.144 -11.922
   49    HG3  PRO   8           1HG      PRO   8   0.384 -17.807 -12.366
   50    HD2  PRO   8           2HD      PRO   8  -1.312 -16.221 -11.013
   51    HD3  PRO   8           1HD      PRO   8  -1.229 -17.969 -10.719
   52    H    ALA   9           H        ALA   9   0.889 -14.750 -10.112
   53    HA   ALA   9           HA       ALA   9   2.919 -13.563  -8.341
   54    HB1  ALA   9           1HB      ALA   9   3.300 -11.831 -10.038
   55    HB2  ALA   9           2HB      ALA   9   2.170 -12.644 -11.121
   56    HB3  ALA   9           3HB      ALA   9   3.679 -13.435 -10.664
   57    H    VAL  10           H        VAL  10   1.823 -12.567  -6.767
   58    HA   VAL  10           HA       VAL  10  -0.891 -11.633  -7.325
   59    HB   VAL  10           HB       VAL  10   0.534 -11.837  -4.665
   60   HG11  VAL  10          1HG1      VAL  10  -2.385 -11.428  -5.313
   61   HG12  VAL  10          2HG1      VAL  10  -1.290 -10.212  -4.658
   62   HG13  VAL  10          3HG1      VAL  10  -1.706 -11.633  -3.698
   63   HG21  VAL  10          3HG2      VAL  10  -0.810 -13.852  -4.305
   64   HG22  VAL  10          1HG2      VAL  10   0.274 -14.032  -5.685
   65   HG23  VAL  10          2HG2      VAL  10  -1.442 -13.719  -5.946
   66    H    ASP  11           H        ASP  11  -1.224  -9.586  -7.809
   67    HA   ASP  11           HA       ASP  11   0.521  -7.554  -6.602
   68    HB2  ASP  11           2HB      ASP  11   1.153  -7.712  -8.926
   69    HB3  ASP  11           1HB      ASP  11  -0.531  -7.622  -9.434
   70    H    VAL  12           H        VAL  12  -0.557  -6.263  -5.340
   71    HA   VAL  12           HA       VAL  12  -3.389  -5.685  -5.939
   72    HB   VAL  12           HB       VAL  12  -2.021  -5.852  -3.242
   73   HG11  VAL  12          1HG1      VAL  12  -4.865  -5.109  -3.908
   74   HG12  VAL  12          2HG1      VAL  12  -3.633  -4.037  -3.244
   75   HG13  VAL  12          3HG1      VAL  12  -4.235  -5.389  -2.284
   76   HG21  VAL  12          3HG2      VAL  12  -3.583  -7.688  -2.814
   77   HG22  VAL  12          1HG2      VAL  12  -2.535  -8.032  -4.190
   78   HG23  VAL  12          2HG2      VAL  12  -4.206  -7.537  -4.457
   79    H    GLU  13           H        GLU  13  -3.899  -3.539  -6.187
   80    HA   GLU  13           HA       GLU  13  -1.705  -1.662  -5.681
   81    HB2  GLU  13           2HB      GLU  13  -2.746  -0.210  -7.397
   82    HB3  GLU  13           1HB      GLU  13  -2.201  -1.755  -8.027
   83    HG2  GLU  13           2HG      GLU  13  -4.473  -2.587  -8.035
   84    HG3  GLU  13           1HG      GLU  13  -5.045  -1.082  -7.317
   85    H    ILE  14           H        ILE  14  -1.957  -0.120  -4.273
   86    HA   ILE  14           HA       ILE  14  -4.658   0.357  -3.202
   87    HB   ILE  14           HB       ILE  14  -2.070   0.725  -1.682
   88   HG12  ILE  14          2HG1      ILE  14  -3.995  -1.609  -1.513
   89   HG13  ILE  14          1HG1      ILE  14  -2.443  -1.665  -2.342
   90   HG21  ILE  14          1HG2      ILE  14  -3.952   2.036  -0.876
   91   HG22  ILE  14          2HG2      ILE  14  -3.545   0.761   0.271
   92   HG23  ILE  14          3HG2      ILE  14  -4.945   0.581  -0.787
   93   HD11  ILE  14          3HD1      ILE  14  -1.301  -1.234  -0.236
   94   HD12  ILE  14          1HD1      ILE  14  -2.313  -2.675  -0.144
   95   HD13  ILE  14          2HD1      ILE  14  -2.858  -1.168   0.595
   96    H    HIS  15           H        HIS  15  -5.367   2.413  -3.297
   97    HA   HIS  15           HA       HIS  15  -3.474   4.427  -4.281
   98    HB2  HIS  15           2HB      HIS  15  -6.495   4.351  -4.372
   99    HB3  HIS  15           1HB      HIS  15  -5.517   5.699  -4.941
  100    HD1  HIS  15           1HD      HIS  15  -6.822   2.412  -5.935
  101    HD2  HIS  15           2HD      HIS  15  -3.940   5.091  -7.270
  102    HE1  HIS  15           1HE      HIS  15  -6.208   1.641  -8.243
  103    HE2  HIS  15           2HE      HIS  15  -4.624   3.402  -9.103
  104    H    PHE  16           H        PHE  16  -3.118   6.288  -3.204
  105    HA   PHE  16           HA       PHE  16  -4.688   6.784  -0.773
  106    HB2  PHE  16           2HB      PHE  16  -1.685   6.858  -1.047
  107    HB3  PHE  16           1HB      PHE  16  -2.542   7.625   0.282
  108    HD1  PHE  16           1HD      PHE  16  -4.362   5.925   1.372
  109    HD2  PHE  16           2HD      PHE  16  -0.742   4.847  -0.570
  110    HE1  PHE  16           1HE      PHE  16  -4.320   3.821   2.636
  111    HE2  PHE  16           2HE      PHE  16  -0.691   2.732   0.685
  112    HZ   PHE  16           HZ       PHE  16  -2.483   2.218   2.294
  113    HA   PRO  17           HA       PRO  17  -4.933  10.848  -2.651
  114    HB2  PRO  17           2HB      PRO  17  -6.060  12.033  -0.439
  115    HB3  PRO  17           1HB      PRO  17  -6.982  11.181  -1.680
  116    HG2  PRO  17           2HG      PRO  17  -6.089  10.237   1.007
  117    HG3  PRO  17           1HG      PRO  17  -7.611   9.925   0.155
  118    HD2  PRO  17           2HD      PRO  17  -5.620   8.105   0.294
  119    HD3  PRO  17           1HD      PRO  17  -6.698   8.228  -1.109
  120    H    LEU  18           H        LEU  18  -3.051  11.814  -2.797
  121    HA   LEU  18           HA       LEU  18  -0.901  11.577  -1.114
  122    HB2  LEU  18           2HB      LEU  18  -0.991  12.375  -3.518
  123    HB3  LEU  18           1HB      LEU  18  -1.378  13.964  -2.893
  124    HG   LEU  18           HG       LEU  18   1.133  12.565  -2.019
  125   HD11  LEU  18          1HD1      LEU  18   1.162  12.503  -4.448
  126   HD12  LEU  18          2HD1      LEU  18   2.317  13.691  -3.847
  127   HD13  LEU  18          3HD1      LEU  18   0.771  14.221  -4.512
  128   HD21  LEU  18          3HD2      LEU  18   0.471  14.582  -0.811
  129   HD22  LEU  18          1HD2      LEU  18   0.385  15.473  -2.330
  130   HD23  LEU  18          2HD2      LEU  18   1.935  14.862  -1.751
  131    H    LYS  19           H        LYS  19  -3.407  14.018  -1.016
  132    HA   LYS  19           HA       LYS  19  -2.064  15.797   0.740
  133    HB2  LYS  19           2HB      LYS  19  -4.977  15.459   0.042
  134    HB3  LYS  19           1HB      LYS  19  -4.423  16.671   1.183
  135    HG2  LYS  19           2HG      LYS  19  -4.724  17.730  -0.919
  136    HG3  LYS  19           1HG      LYS  19  -2.991  17.620  -0.620
  137    HD2  LYS  19           2HD      LYS  19  -2.758  15.827  -2.166
  138    HD3  LYS  19           1HD      LYS  19  -4.503  15.626  -2.290
  139    HE2  LYS  19           2HE      LYS  19  -3.509  16.744  -4.220
  140    HE3  LYS  19           1HE      LYS  19  -4.705  17.741  -3.404
  141    HZ1  LYS  19           3HZ      LYS  19  -1.758  17.978  -3.111
  142    HZ2  LYS  19           1HZ      LYS  19  -2.907  18.954  -2.345
  143    HZ3  LYS  19           2HZ      LYS  19  -2.739  19.007  -4.025
  144    H    ARG  20           H        ARG  20  -4.250  13.067   1.298
  145    HA   ARG  20           HA       ARG  20  -4.538  13.732   4.111
  146    HB2  ARG  20           2HB      ARG  20  -5.381  11.110   2.921
  147    HB3  ARG  20           1HB      ARG  20  -6.096  12.002   4.255
  148    HG2  ARG  20           2HG      ARG  20  -6.219  12.822   1.373
  149    HG3  ARG  20           1HG      ARG  20  -7.488  11.988   2.272
  150    HD2  ARG  20           2HD      ARG  20  -6.347  14.630   3.135
  151    HD3  ARG  20           1HD      ARG  20  -7.718  14.495   2.044
  152    HE   ARG  20           HE       ARG  20  -8.667  13.068   3.993
  153   HH11  ARG  20          1HH1      ARG  20  -6.763  15.998   4.244
  154   HH12  ARG  20          2HH1      ARG  20  -7.474  16.487   5.743
  155   HH21  ARG  20          1HH2      ARG  20  -9.632  13.735   5.960
  156   HH22  ARG  20          2HH2      ARG  20  -9.109  15.204   6.717
  157    H    ILE  21           H        ILE  21  -2.809  11.442   2.106
  158    HA   ILE  21           HA       ILE  21  -1.969   9.779   4.277
  159    HB   ILE  21           HB       ILE  21  -2.224   9.001   1.921
  160   HG12  ILE  21          2HG1      ILE  21  -0.221   7.545   1.922
  161   HG13  ILE  21          1HG1      ILE  21   0.500   8.566   3.162
  162   HG21  ILE  21          1HG2      ILE  21  -0.399   9.400   0.333
  163   HG22  ILE  21          2HG2      ILE  21   0.346  10.504   1.486
  164   HG23  ILE  21          3HG2      ILE  21  -1.220  10.896   0.782
  165   HD11  ILE  21          3HD1      ILE  21  -2.063   7.022   3.480
  166   HD12  ILE  21          1HD1      ILE  21  -1.228   7.952   4.726
  167   HD13  ILE  21          2HD1      ILE  21  -0.481   6.500   4.059
  168    H    ALA  22           H        ALA  22  -1.115  12.841   3.374
  169    HA   ALA  22           HA       ALA  22   1.663  12.596   4.275
  170    HB1  ALA  22           1HB      ALA  22   1.971  14.850   3.417
  171    HB2  ALA  22           2HB      ALA  22   0.255  14.954   3.032
  172    HB3  ALA  22           3HB      ALA  22   1.281  13.806   2.175
  173    H    ALA  23           H        ALA  23  -1.346  13.160   5.537
  174    HA   ALA  23           HA       ALA  23  -0.468  15.235   7.411
  175    HB1  ALA  23           1HB      ALA  23  -3.226  14.105   6.941
  176    HB2  ALA  23           2HB      ALA  23  -2.595  15.605   6.262
  177    HB3  ALA  23           3HB      ALA  23  -2.823  15.454   8.004
  178    H    GLU  24           H        GLU  24  -1.312  14.944   9.721
  179    HA   GLU  24           HA       GLU  24  -0.253  12.479  10.721
  180    HB2  GLU  24           2HB      GLU  24  -1.745  14.613  12.255
  181    HB3  GLU  24           1HB      GLU  24  -0.748  13.344  12.939
  182    HG2  GLU  24           2HG      GLU  24   0.658  15.143  13.050
  183    HG3  GLU  24           1HG      GLU  24   1.136  14.422  11.515
  184    H    GLY  25           H        GLY  25  -3.453  13.944  10.529
  185    HA2  GLY  25           2HA      GLY  25  -4.690  11.571  11.685
  186    HA3  GLY  25           1HA      GLY  25  -5.504  13.070  11.259
  187    H    TYR  26           H        TYR  26  -3.489  10.807   9.418
  188    HA   TYR  26           HA       TYR  26  -5.068  11.042   7.077
  189    HB2  TYR  26           2HB      TYR  26  -3.693   9.121   6.244
  190    HB3  TYR  26           1HB      TYR  26  -2.740  10.471   6.860
  191    HD1  TYR  26           1HD      TYR  26  -1.454  10.274   8.903
  192    HD2  TYR  26           2HD      TYR  26  -3.742   6.989   7.474
  193    HE1  TYR  26           1HE      TYR  26  -0.276   8.784  10.461
  194    HE2  TYR  26           2HE      TYR  26  -2.568   5.490   9.028
  195    HH   TYR  26           HH       TYR  26  -0.623   6.647  11.575
  196    H    ALA  27           H        ALA  27  -5.044   8.789   9.765
  197    HA   ALA  27           HA       ALA  27  -6.639   6.796   8.485
  198    HB1  ALA  27           1HB      ALA  27  -6.759   5.756  10.679
  199    HB2  ALA  27           2HB      ALA  27  -6.100   7.214  11.420
  200    HB3  ALA  27           3HB      ALA  27  -5.108   6.259  10.319
  201    H    GLU  28           H        GLU  28  -7.371   9.821   9.565
  202    HA   GLU  28           HA       GLU  28 -10.109   9.166  10.335
  203    HB2  GLU  28           2HB      GLU  28  -8.638  11.808  10.280
  204    HB3  GLU  28           1HB      GLU  28 -10.300  11.597  10.813
  205    HG2  GLU  28           2HG      GLU  28  -7.849  10.397  12.084
  206    HG3  GLU  28           1HG      GLU  28  -8.816  11.732  12.712
  207    H    ASP  29           H        ASP  29  -8.465   9.498   7.551
  208    HA   ASP  29           HA       ASP  29 -10.509  10.990   6.110
  209    HB2  ASP  29           2HB      ASP  29  -8.221  11.352   5.388
  210    HB3  ASP  29           1HB      ASP  29  -7.988   9.624   5.126
  211    H    GLU  30           H        GLU  30 -12.161  10.098   5.071
  212    HA   GLU  30           HA       GLU  30 -12.900   7.508   5.922
  213    HB2  GLU  30           2HB      GLU  30 -14.483   9.404   5.476
  214    HB3  GLU  30           1HB      GLU  30 -14.214   9.148   3.754
  215    HG2  GLU  30           2HG      GLU  30 -14.952   6.741   4.184
  216    HG3  GLU  30           1HG      GLU  30 -15.547   7.336   5.732
  217    H    LEU  31           H        LEU  31 -11.538   8.771   2.968
  218    HA   LEU  31           HA       LEU  31 -12.163   6.509   1.383
  219    HB2  LEU  31           2HB      LEU  31 -11.659   8.740   0.435
  220    HB3  LEU  31           1HB      LEU  31  -9.998   8.563   0.983
  221    HG   LEU  31           HG       LEU  31  -9.926   6.449  -0.447
  222   HD11  LEU  31          1HD1      LEU  31 -11.482   6.387  -2.328
  223   HD12  LEU  31          2HD1      LEU  31 -12.384   7.730  -1.626
  224   HD13  LEU  31          3HD1      LEU  31 -12.312   6.180  -0.787
  225   HD21  LEU  31          3HD2      LEU  31  -8.794   8.535  -0.983
  226   HD22  LEU  31          1HD2      LEU  31 -10.247   9.111  -1.800
  227   HD23  LEU  31          2HD2      LEU  31  -9.377   7.704  -2.428
  228    H    LEU  32           H        LEU  32  -9.386   7.577   3.283
  229    HA   LEU  32           HA       LEU  32  -7.561   5.639   2.473
  230    HB2  LEU  32           2HB      LEU  32  -7.554   7.758   4.179
  231    HB3  LEU  32           1HB      LEU  32  -7.516   6.423   5.313
  232    HG   LEU  32           HG       LEU  32  -5.578   5.591   3.760
  233   HD11  LEU  32          1HD1      LEU  32  -4.243   7.426   2.877
  234   HD12  LEU  32          2HD1      LEU  32  -5.517   8.562   3.321
  235   HD13  LEU  32          3HD1      LEU  32  -5.820   7.331   2.097
  236   HD21  LEU  32          3HD2      LEU  32  -3.973   6.739   5.216
  237   HD22  LEU  32          1HD2      LEU  32  -5.329   6.060   6.114
  238   HD23  LEU  32          2HD2      LEU  32  -5.270   7.791   5.782
  239    H    LEU  33           H        LEU  33 -10.019   5.650   4.986
  240    HA   LEU  33           HA       LEU  33  -9.248   3.185   6.156
  241    HB2  LEU  33           2HB      LEU  33 -10.477   4.959   7.340
  242    HB3  LEU  33           1HB      LEU  33 -11.868   4.667   6.316
  243    HG   LEU  33           HG       LEU  33 -12.076   2.399   7.240
  244   HD11  LEU  33          1HD1      LEU  33  -9.773   3.240   8.999
  245   HD12  LEU  33          2HD1      LEU  33  -9.753   1.968   7.778
  246   HD13  LEU  33          3HD1      LEU  33 -10.748   1.788   9.223
  247   HD21  LEU  33          3HD2      LEU  33 -11.957   4.575   9.327
  248   HD22  LEU  33          1HD2      LEU  33 -12.831   3.051   9.473
  249   HD23  LEU  33          2HD2      LEU  33 -13.318   4.232   8.258
  250    H    ASN  34           H        ASN  34 -11.945   4.043   3.936
  251    HA   ASN  34           HA       ASN  34 -12.821   1.312   3.902
  252    HB2  ASN  34           2HB      ASN  34 -14.607   1.954   2.572
  253    HB3  ASN  34           1HB      ASN  34 -14.275   3.415   3.486
  254   HD21  ASN  34          1HD2      ASN  34 -13.591   5.228   2.431
  255   HD22  ASN  34          2HD2      ASN  34 -13.552   5.350   0.706
  256    H    GLN  35           H        GLN  35 -10.664   3.233   1.981
  257    HA   GLN  35           HA       GLN  35 -10.499   1.554  -0.287
  258    HB2  GLN  35           2HB      GLN  35  -9.480   3.968   0.450
  259    HB3  GLN  35           1HB      GLN  35  -8.055   2.952   0.599
  260    HG2  GLN  35           2HG      GLN  35  -7.990   2.493  -1.661
  261    HG3  GLN  35           1HG      GLN  35  -9.700   2.877  -1.878
  262   HE21  GLN  35          1HE2      GLN  35  -7.821   4.995   0.056
  263   HE22  GLN  35          2HE2      GLN  35  -7.705   6.284  -1.086
  264    H    MET  36           H        MET  36  -8.659   1.751   2.732
  265    HA   MET  36           HA       MET  36  -7.203  -0.690   2.086
  266    HB2  MET  36           2HB      MET  36  -6.959   1.356   4.270
  267    HB3  MET  36           1HB      MET  36  -6.141  -0.196   4.369
  268    HG2  MET  36           2HG      MET  36  -5.709   1.071   1.811
  269    HG3  MET  36           1HG      MET  36  -5.206   2.101   3.148
  270    HE1  MET  36           3HE      MET  36  -4.825  -1.469   1.519
  271    HE2  MET  36           1HE      MET  36  -5.186  -1.857   3.201
  272    HE3  MET  36           2HE      MET  36  -3.582  -2.186   2.546
  273    H    GLY  37           H        GLY  37 -10.158  -0.048   3.322
  274    HA2  GLY  37           2HA      GLY  37 -10.125  -2.455   4.992
  275    HA3  GLY  37           1HA      GLY  37 -11.498  -1.377   4.747
  276    H    LYS  38           H        LYS  38 -10.991  -1.309   1.850
  277    HA   LYS  38           HA       LYS  38 -12.594  -3.583   1.146
  278    HB2  LYS  38           2HB      LYS  38 -13.019  -1.390   0.144
  279    HB3  LYS  38           1HB      LYS  38 -11.407  -1.393  -0.559
  280    HG2  LYS  38           2HG      LYS  38 -12.059  -3.455  -1.821
  281    HG3  LYS  38           1HG      LYS  38 -13.710  -3.200  -1.248
  282    HD2  LYS  38           2HD      LYS  38 -13.779  -1.033  -2.335
  283    HD3  LYS  38           1HD      LYS  38 -12.098  -1.213  -2.845
  284    HE2  LYS  38           2HE      LYS  38 -12.790  -3.263  -4.100
  285    HE3  LYS  38           1HE      LYS  38 -14.461  -2.864  -3.714
  286    HZ1  LYS  38           3HZ      LYS  38 -14.197  -0.774  -4.882
  287    HZ2  LYS  38           1HZ      LYS  38 -13.837  -2.072  -5.904
  288    HZ3  LYS  38           2HZ      LYS  38 -12.588  -1.146  -5.241
  289    H    VAL  39           H        VAL  39  -9.516  -2.313  -0.212
  290    HA   VAL  39           HA       VAL  39  -9.114  -4.904  -1.488
  291    HB   VAL  39           HB       VAL  39  -8.756  -2.709  -2.691
  292   HG11  VAL  39          1HG1      VAL  39  -6.650  -1.539  -2.423
  293   HG12  VAL  39          2HG1      VAL  39  -6.211  -2.602  -1.088
  294   HG13  VAL  39          3HG1      VAL  39  -7.581  -1.502  -0.923
  295   HG21  VAL  39          3HG2      VAL  39  -7.952  -4.775  -3.616
  296   HG22  VAL  39          1HG2      VAL  39  -6.487  -4.679  -2.641
  297   HG23  VAL  39          2HG2      VAL  39  -6.776  -3.494  -3.915
  298    H    ASN  40           H        ASN  40  -9.056  -5.118   1.162
  299    HA   ASN  40           HA       ASN  40  -6.295  -5.734   1.846
  300    HB2  ASN  40           2HB      ASN  40  -6.492  -3.489   2.611
  301    HB3  ASN  40           1HB      ASN  40  -8.063  -3.803   3.337
  302   HD21  ASN  40          1HD2      ASN  40  -4.660  -4.584   3.532
  303   HD22  ASN  40          2HD2      ASN  40  -4.641  -4.929   5.223
  304    H    ASP  41           H        ASP  41  -9.521  -6.561   1.813
  305    HA   ASP  41           HA       ASP  41  -9.659  -8.054   4.241
  306    HB2  ASP  41           2HB      ASP  41 -11.710  -7.364   3.132
  307    HB3  ASP  41           1HB      ASP  41 -11.268  -8.254   1.681
  308    H    THR  42           H        THR  42  -8.555  -8.646   0.997
  309    HA   THR  42           HA       THR  42  -7.520 -11.252   1.882
  310    HB   THR  42           HB       THR  42  -8.010 -10.999  -1.009
  311    HG1  THR  42           1HG      THR  42 -10.358 -11.657   0.261
  312   HG21  THR  42          3HG2      THR  42  -7.283 -13.073   0.106
  313   HG22  THR  42          1HG2      THR  42  -8.831 -13.275  -0.715
  314   HG23  THR  42          2HG2      THR  42  -8.782 -13.082   1.037
  315    HA   PRO  43           HA       PRO  43  -4.166  -8.608   0.080
  316    HB2  PRO  43           2HB      PRO  43  -2.891  -7.813   2.273
  317    HB3  PRO  43           1HB      PRO  43  -4.400  -7.051   1.764
  318    HG2  PRO  43           2HG      PRO  43  -3.904  -8.915   4.014
  319    HG3  PRO  43           1HG      PRO  43  -5.156  -7.683   3.828
  320    HD2  PRO  43           2HD      PRO  43  -5.365 -10.502   3.346
  321    HD3  PRO  43           1HD      PRO  43  -6.620  -9.266   3.144
  322    H    GLU  44           H        GLU  44  -4.292 -11.565   0.855
  323    HA   GLU  44           HA       GLU  44  -2.920 -13.354   0.743
  324    HB2  GLU  44           2HB      GLU  44  -1.677 -12.075  -0.960
  325    HB3  GLU  44           1HB      GLU  44  -0.685 -11.371   0.309
  326    HG2  GLU  44           2HG      GLU  44   0.536 -13.139  -0.734
  327    HG3  GLU  44           1HG      GLU  44   0.100 -13.641   0.897
  328    H    GLU  45           H        GLU  45  -1.227 -10.779   2.544
  329    HA   GLU  45           HA       GLU  45  -0.087 -12.658   4.394
  330    HB2  GLU  45           2HB      GLU  45  -0.231  -9.653   4.378
  331    HB3  GLU  45           1HB      GLU  45   0.446 -10.539   5.731
  332    HG2  GLU  45           2HG      GLU  45   1.989 -11.612   3.983
  333    HG3  GLU  45           1HG      GLU  45   1.479 -10.281   2.941
  334    H    GLU  46           H        GLU  46  -1.267  -9.974   6.028
  335    HA   GLU  46           HA       GLU  46  -3.106 -11.622   7.574
  336    HB2  GLU  46           2HB      GLU  46  -2.071  -8.817   8.040
  337    HB3  GLU  46           1HB      GLU  46  -3.053  -9.739   9.161
  338    HG2  GLU  46           2HG      GLU  46  -0.263 -10.407   8.262
  339    HG3  GLU  46           1HG      GLU  46  -0.731  -9.758   9.831
  340    H    GLY  47           H        GLY  47  -4.178  -8.681   8.234
  341    HA2  GLY  47           2HA      GLY  47  -5.432  -8.018   5.695
  342    HA3  GLY  47           1HA      GLY  47  -6.517  -8.405   7.016
  343    H    MET  48           H        MET  48  -6.598  -7.053   8.817
  344    HA   MET  48           HA       MET  48  -6.401  -4.343   8.276
  345    HB2  MET  48           2HB      MET  48  -7.981  -4.920   9.872
  346    HB3  MET  48           1HB      MET  48  -6.864  -5.945  10.760
  347    HG2  MET  48           2HG      MET  48  -6.343  -3.023  10.641
  348    HG3  MET  48           1HG      MET  48  -7.615  -3.626  11.705
  349    HE1  MET  48           3HE      MET  48  -4.233  -2.787  13.781
  350    HE2  MET  48           1HE      MET  48  -5.877  -2.227  13.476
  351    HE3  MET  48           2HE      MET  48  -4.653  -2.092  12.215
  352    HA   PRO  49           HA       PRO  49  -2.387  -4.081  10.791
  353    HB2  PRO  49           2HB      PRO  49  -0.800  -6.293  10.998
  354    HB3  PRO  49           1HB      PRO  49  -1.978  -5.813  12.219
  355    HG2  PRO  49           2HG      PRO  49  -2.074  -8.018  10.292
  356    HG3  PRO  49           1HG      PRO  49  -2.958  -7.813  11.809
  357    HD2  PRO  49           2HD      PRO  49  -3.906  -7.414   9.163
  358    HD3  PRO  49           1HD      PRO  49  -4.776  -7.119  10.662
  359    H    LEU  50           H        LEU  50  -2.599  -6.256   8.096
  360    HA   LEU  50           HA       LEU  50  -0.223  -5.676   6.743
  361    HB2  LEU  50           2HB      LEU  50  -1.868  -7.434   6.121
  362    HB3  LEU  50           1HB      LEU  50  -2.996  -6.194   5.631
  363    HG   LEU  50           HG       LEU  50  -1.881  -7.354   3.748
  364   HD11  LEU  50          1HD1      LEU  50  -2.769  -5.127   3.389
  365   HD12  LEU  50          2HD1      LEU  50  -1.291  -5.369   2.457
  366   HD13  LEU  50          3HD1      LEU  50  -1.249  -4.419   3.945
  367   HD21  LEU  50          3HD2      LEU  50   0.605  -5.958   4.679
  368   HD22  LEU  50          1HD2      LEU  50   0.424  -6.948   3.232
  369   HD23  LEU  50          2HD2      LEU  50   0.294  -7.688   4.828
  370    H    ARG  51           H        ARG  51  -3.391  -4.059   6.750
  371    HA   ARG  51           HA       ARG  51  -2.687  -2.030   4.941
  372    HB2  ARG  51           2HB      ARG  51  -4.831  -1.408   5.190
  373    HB3  ARG  51           1HB      ARG  51  -4.993  -2.934   6.001
  374    HG2  ARG  51           2HG      ARG  51  -4.670  -1.759   8.161
  375    HG3  ARG  51           1HG      ARG  51  -4.681  -0.230   7.282
  376    HD2  ARG  51           2HD      ARG  51  -6.928  -0.699   6.469
  377    HD3  ARG  51           1HD      ARG  51  -6.914  -2.259   7.290
  378    HE   ARG  51           HE       ARG  51  -6.442  -0.063   9.068
  379   HH11  ARG  51          1HH1      ARG  51  -8.924  -1.921   7.440
  380   HH12  ARG  51          2HH1      ARG  51 -10.157  -1.522   8.594
  381   HH21  ARG  51          1HH2      ARG  51  -8.070   0.453  10.596
  382   HH22  ARG  51          2HH2      ARG  51  -9.676  -0.171  10.380
  383    H    ALA  52           H        ALA  52  -2.574  -2.287   8.436
  384    HA   ALA  52           HA       ALA  52  -2.012   0.355   9.078
  385    HB1  ALA  52           1HB      ALA  52  -2.600  -1.356  10.730
  386    HB2  ALA  52           2HB      ALA  52  -1.129  -0.492  11.176
  387    HB3  ALA  52           3HB      ALA  52  -1.025  -2.116  10.498
  388    H    TRP  53           H        TRP  53   0.318  -2.300   8.377
  389    HA   TRP  53           HA       TRP  53   2.518  -0.520   8.739
  390    HB2  TRP  53           2HB      TRP  53   3.968  -2.294   8.209
  391    HB3  TRP  53           1HB      TRP  53   2.630  -3.002   9.086
  392    HD1  TRP  53           HD       TRP  53   1.603  -5.098   8.090
  393    HE1  TRP  53           1HE      TRP  53   1.838  -6.373   5.866
  394    HE3  TRP  53           3HE      TRP  53   4.325  -1.680   5.443
  395    HZ2  TRP  53           2HZ      TRP  53   3.008  -5.994   3.346
  396    HZ3  TRP  53           3HZ      TRP  53   4.979  -2.223   3.137
  397    HH2  TRP  53           HH       TRP  53   4.324  -4.334   2.104
  398    H    VAL  54           H        VAL  54   0.723  -1.670   5.965
  399    HA   VAL  54           HA       VAL  54   2.368  -0.639   3.944
  400    HB   VAL  54           HB       VAL  54  -0.511  -1.359   4.154
  401   HG11  VAL  54          1HG1      VAL  54  -0.494   0.654   2.726
  402   HG12  VAL  54          2HG1      VAL  54  -0.920  -0.796   1.817
  403   HG13  VAL  54          3HG1      VAL  54   0.703  -0.116   1.682
  404   HG21  VAL  54          3HG2      VAL  54   1.123  -3.116   3.839
  405   HG22  VAL  54          1HG2      VAL  54   1.729  -2.313   2.390
  406   HG23  VAL  54          2HG2      VAL  54   0.092  -2.970   2.413
  407    H    ILE  55           H        ILE  55  -0.486   0.800   5.522
  408    HA   ILE  55           HA       ILE  55  -0.396   3.274   4.220
  409    HB   ILE  55           HB       ILE  55  -1.487   2.513   6.930
  410   HG12  ILE  55          2HG1      ILE  55  -2.853   3.059   4.290
  411   HG13  ILE  55          1HG1      ILE  55  -2.533   1.460   4.956
  412   HG21  ILE  55          1HG2      ILE  55  -1.005   4.888   6.946
  413   HG22  ILE  55          2HG2      ILE  55  -2.743   4.603   6.889
  414   HG23  ILE  55          3HG2      ILE  55  -1.883   5.095   5.429
  415   HD11  ILE  55          3HD1      ILE  55  -4.321   3.561   6.155
  416   HD12  ILE  55          1HD1      ILE  55  -3.995   1.970   6.845
  417   HD13  ILE  55          2HD1      ILE  55  -4.833   2.108   5.299
  418    H    LYS  56           H        LYS  56   1.144   2.172   7.220
  419    HA   LYS  56           HA       LYS  56   2.254   4.641   7.976
  420    HB2  LYS  56           2HB      LYS  56   2.165   2.696   9.483
  421    HB3  LYS  56           1HB      LYS  56   3.343   1.864   8.474
  422    HG2  LYS  56           2HG      LYS  56   4.933   3.741   8.939
  423    HG3  LYS  56           1HG      LYS  56   3.766   4.344  10.115
  424    HD2  LYS  56           2HD      LYS  56   3.923   2.250  11.356
  425    HD3  LYS  56           1HD      LYS  56   5.071   1.626  10.167
  426    HE2  LYS  56           2HE      LYS  56   6.583   3.510  10.710
  427    HE3  LYS  56           1HE      LYS  56   5.459   4.007  11.973
  428    HZ1  LYS  56           3HZ      LYS  56   6.920   1.427  11.853
  429    HZ2  LYS  56           1HZ      LYS  56   5.803   1.861  13.048
  430    HZ3  LYS  56           2HZ      LYS  56   7.250   2.717  12.894
  431    H    CYS  57           H        CYS  57   3.643   1.964   6.080
  432    HA   CYS  57           HA       CYS  57   6.137   3.150   5.617
  433    HB2  CYS  57           2HB      CYS  57   4.624   1.163   3.913
  434    HB3  CYS  57           1HB      CYS  57   6.325   1.568   3.713
  435    HG   CYS  57           HG       CYS  57   4.865  -0.097   6.305
  436    H    ALA  58           H        ALA  58   3.150   3.235   3.690
  437    HA   ALA  58           HA       ALA  58   4.170   4.766   1.556
  438    HB1  ALA  58           1HB      ALA  58   1.840   5.234   1.013
  439    HB2  ALA  58           2HB      ALA  58   1.343   4.648   2.600
  440    HB3  ALA  58           3HB      ALA  58   2.058   3.535   1.435
  441    H    HIS  59           H        HIS  59   2.703   5.671   4.621
  442    HA   HIS  59           HA       HIS  59   2.434   8.422   4.246
  443    HB2  HIS  59           2HB      HIS  59   1.563   7.051   6.174
  444    HB3  HIS  59           1HB      HIS  59   3.198   7.008   6.817
  445    HD1  HIS  59           1HD      HIS  59   1.636   8.141   8.840
  446    HD2  HIS  59           2HD      HIS  59   2.680  10.494   5.586
  447    HE1  HIS  59           1HE      HIS  59   1.227  10.510   9.560
  448    HE2  HIS  59           2HE      HIS  59   2.164  11.905   7.685
  449    H    GLU  60           H        GLU  60   5.102   6.688   5.849
  450    HA   GLU  60           HA       GLU  60   6.777   8.940   6.071
  451    HB2  GLU  60           2HB      GLU  60   7.422   5.990   6.082
  452    HB3  GLU  60           1HB      GLU  60   8.588   7.248   6.465
  453    HG2  GLU  60           2HG      GLU  60   7.131   7.982   8.316
  454    HG3  GLU  60           1HG      GLU  60   6.053   6.635   7.962
  455    H    ALA  61           H        ALA  61   6.530   6.401   3.627
  456    HA   ALA  61           HA       ALA  61   8.818   7.018   2.146
  457    HB1  ALA  61           1HB      ALA  61   7.766   5.819   0.305
  458    HB2  ALA  61           2HB      ALA  61   6.209   5.902   1.126
  459    HB3  ALA  61           3HB      ALA  61   7.526   4.963   1.828
  460    H    LEU  62           H        LEU  62   5.599   8.443   2.097
  461    HA   LEU  62           HA       LEU  62   6.115   9.988  -0.260
  462    HB2  LEU  62           2HB      LEU  62   3.832   9.346   0.435
  463    HB3  LEU  62           1HB      LEU  62   3.985  10.391   1.837
  464    HG   LEU  62           HG       LEU  62   4.518  12.212  -0.010
  465   HD11  LEU  62          1HD1      LEU  62   2.740  10.285  -1.488
  466   HD12  LEU  62          2HD1      LEU  62   4.440  10.595  -1.858
  467   HD13  LEU  62          3HD1      LEU  62   3.250  11.884  -2.034
  468   HD21  LEU  62          3HD2      LEU  62   1.705  11.288   0.485
  469   HD22  LEU  62          1HD2      LEU  62   2.239  12.915   0.076
  470   HD23  LEU  62          2HD2      LEU  62   2.665  12.213   1.639
  471    H    GLU  63           H        GLU  63   6.057  10.696   3.242
  472    HA   GLU  63           HA       GLU  63   6.443  13.484   2.834
  473    HB2  GLU  63           2HB      GLU  63   6.765  11.760   5.285
  474    HB3  GLU  63           1HB      GLU  63   7.010  13.500   5.300
  475    HG2  GLU  63           2HG      GLU  63   4.655  13.660   4.333
  476    HG3  GLU  63           1HG      GLU  63   4.485  11.970   4.809
  477    H    LYS  64           H        LYS  64   8.684  10.820   3.120
  478    HA   LYS  64           HA       LYS  64  10.972  12.401   3.726
  479    HB2  LYS  64           2HB      LYS  64  10.764   9.686   2.409
  480    HB3  LYS  64           1HB      LYS  64  12.268  10.422   2.944
  481    HG2  LYS  64           2HG      LYS  64   9.951   9.803   4.764
  482    HG3  LYS  64           1HG      LYS  64  11.328   8.734   4.510
  483    HD2  LYS  64           2HD      LYS  64  11.854  11.553   5.310
  484    HD3  LYS  64           1HD      LYS  64  11.242  10.439   6.529
  485    HE2  LYS  64           2HE      LYS  64  13.674  10.523   6.569
  486    HE3  LYS  64           1HE      LYS  64  13.106   8.926   6.094
  487    HZ1  LYS  64           3HZ      LYS  64  14.980   9.723   4.756
  488    HZ2  LYS  64           1HZ      LYS  64  14.040  11.011   4.200
  489    HZ3  LYS  64           2HZ      LYS  64  13.612   9.418   3.815
  490    H    ASN  65           H        ASN  65   9.275  11.620   0.816
  491    HA   ASN  65           HA       ASN  65  10.861  13.544  -0.659
  492    HB2  ASN  65           2HB      ASN  65  11.008  11.888  -2.621
  493    HB3  ASN  65           1HB      ASN  65  12.142  11.675  -1.295
  494   HD21  ASN  65          1HD2      ASN  65   9.188  10.476  -2.730
  495   HD22  ASN  65          2HD2      ASN  65   9.279   8.880  -2.077
  496    HA   PRO  66           HA       PRO  66   6.274  13.459  -1.235
  497    HB2  PRO  66           2HB      PRO  66   5.749  16.024  -0.692
  498    HB3  PRO  66           1HB      PRO  66   6.132  14.876   0.593
  499    HG2  PRO  66           2HG      PRO  66   7.928  16.870  -0.749
  500    HG3  PRO  66           1HG      PRO  66   7.734  16.534   0.982
  501    HD2  PRO  66           2HD      PRO  66   9.755  15.495  -0.524
  502    HD3  PRO  66           1HD      PRO  66   9.081  14.673   0.896
  503    H    LYS  67           H        LYS  67   8.099  13.546  -3.394
  504    HA   LYS  67           HA       LYS  67   6.653  15.327  -5.233
  505    HB2  LYS  67           2HB      LYS  67   9.639  14.820  -5.302
  506    HB3  LYS  67           1HB      LYS  67   8.731  15.796  -6.445
  507    HG2  LYS  67           2HG      LYS  67   9.046  16.410  -3.514
  508    HG3  LYS  67           1HG      LYS  67   9.986  17.142  -4.815
  509    HD2  LYS  67           2HD      LYS  67   7.942  18.071  -5.775
  510    HD3  LYS  67           1HD      LYS  67   6.991  17.320  -4.493
  511    HE2  LYS  67           2HE      LYS  67   7.354  19.655  -3.982
  512    HE3  LYS  67           1HE      LYS  67   8.228  18.646  -2.830
  513    HZ1  LYS  67           3HZ      LYS  67   9.536  20.546  -3.634
  514    HZ2  LYS  67           1HZ      LYS  67   9.453  19.936  -5.207
  515    HZ3  LYS  67           2HZ      LYS  67  10.264  19.069  -4.005
  516    H    ILE  68           H        ILE  68   6.464  12.476  -4.507
  517    HA   ILE  68           HA       ILE  68   7.387  11.189  -6.975
  518    HB   ILE  68           HB       ILE  68   6.857   9.045  -5.784
  519   HG12  ILE  68          2HG1      ILE  68   6.737  10.808  -3.321
  520   HG13  ILE  68          1HG1      ILE  68   5.328  10.089  -4.092
  521   HG21  ILE  68          1HG2      ILE  68   8.910   9.140  -4.399
  522   HG22  ILE  68          2HG2      ILE  68   8.947  10.887  -4.658
  523   HG23  ILE  68          3HG2      ILE  68   9.110   9.786  -6.026
  524   HD11  ILE  68          3HD1      ILE  68   6.225   7.864  -3.644
  525   HD12  ILE  68          1HD1      ILE  68   6.026   8.801  -2.164
  526   HD13  ILE  68          2HD1      ILE  68   7.630   8.593  -2.867
  527    H    ARG  69           H        ARG  69   5.805   9.061  -7.145
  528    HA   ARG  69           HA       ARG  69   3.112  10.182  -7.564
  529    HB2  ARG  69           2HB      ARG  69   4.253  10.191  -9.702
  530    HB3  ARG  69           1HB      ARG  69   4.745   8.519  -9.486
  531    HG2  ARG  69           2HG      ARG  69   2.868   8.830 -11.075
  532    HG3  ARG  69           1HG      ARG  69   2.501   7.746  -9.732
  533    HD2  ARG  69           2HD      ARG  69   0.663   9.321 -10.268
  534    HD3  ARG  69           1HD      ARG  69   1.253   9.463  -8.614
  535    HE   ARG  69           HE       ARG  69   2.570  11.297 -10.348
  536   HH11  ARG  69          1HH1      ARG  69  -0.393  10.749  -8.572
  537   HH12  ARG  69          2HH1      ARG  69  -0.801  12.434  -8.484
  538   HH21  ARG  69          1HH2      ARG  69   2.063  13.527 -10.177
  539   HH22  ARG  69          2HH2      ARG  69   0.594  14.009  -9.375
  540    H    GLU  70           H        GLU  70   5.074   7.249  -7.291
  541    HA   GLU  70           HA       GLU  70   3.143   6.016  -5.596
  542    HB2  GLU  70           2HB      GLU  70   2.633   4.105  -7.062
  543    HB3  GLU  70           1HB      GLU  70   2.033   5.629  -7.718
  544    HG2  GLU  70           2HG      GLU  70   3.966   5.719  -9.228
  545    HG3  GLU  70           1HG      GLU  70   4.534   4.180  -8.584
  546    H    VAL  71           H        VAL  71   3.894   4.040  -4.700
  547    HA   VAL  71           HA       VAL  71   6.752   3.523  -5.178
  548    HB   VAL  71           HB       VAL  71   6.997   2.962  -2.778
  549   HG11  VAL  71          1HG1      VAL  71   7.685   5.148  -3.563
  550   HG12  VAL  71          2HG1      VAL  71   7.011   5.271  -1.938
  551   HG13  VAL  71          3HG1      VAL  71   6.052   5.770  -3.332
  552   HG21  VAL  71          3HG2      VAL  71   4.215   4.102  -2.535
  553   HG22  VAL  71          1HG2      VAL  71   5.284   3.741  -1.181
  554   HG23  VAL  71          2HG2      VAL  71   4.706   2.439  -2.218
  555    H    TYR  72           H        TYR  72   7.436   1.347  -4.627
  556    HA   TYR  72           HA       TYR  72   5.261  -0.560  -5.155
  557    HB2  TYR  72           2HB      TYR  72   8.205  -0.834  -5.810
  558    HB3  TYR  72           1HB      TYR  72   6.923  -1.953  -6.269
  559    HD1  TYR  72           1HD      TYR  72   5.300  -1.335  -8.001
  560    HD2  TYR  72           2HD      TYR  72   8.540   1.235  -7.005
  561    HE1  TYR  72           1HE      TYR  72   4.921  -0.063 -10.066
  562    HE2  TYR  72           2HE      TYR  72   8.167   2.513  -9.071
  563    HH   TYR  72           HH       TYR  72   5.357   2.193 -10.949
  564    H    LEU  73           H        LEU  73   4.752  -1.822  -3.515
  565    HA   LEU  73           HA       LEU  73   6.723  -2.095  -1.346
  566    HB2  LEU  73           2HB      LEU  73   3.798  -1.771  -1.420
  567    HB3  LEU  73           1HB      LEU  73   4.380  -2.944  -0.257
  568    HG   LEU  73           HG       LEU  73   5.134  -0.024  -0.383
  569   HD11  LEU  73          1HD1      LEU  73   2.889  -0.472   0.492
  570   HD12  LEU  73          2HD1      LEU  73   3.974   0.111   1.753
  571   HD13  LEU  73          3HD1      LEU  73   3.571  -1.605   1.660
  572   HD21  LEU  73          3HD2      LEU  73   7.067  -1.189   0.345
  573   HD22  LEU  73          1HD2      LEU  73   6.115  -2.272   1.360
  574   HD23  LEU  73          2HD2      LEU  73   6.282  -0.572   1.796
  575    H    LYS  74           H        LYS  74   7.191  -4.031  -0.455
  576    HA   LYS  74           HA       LYS  74   6.081  -6.409  -1.769
  577    HB2  LYS  74           2HB      LYS  74   8.432  -5.871  -2.461
  578    HB3  LYS  74           1HB      LYS  74   8.923  -6.056  -0.786
  579    HG2  LYS  74           2HG      LYS  74   7.576  -8.283  -2.277
  580    HG3  LYS  74           1HG      LYS  74   9.317  -8.013  -2.381
  581    HD2  LYS  74           2HD      LYS  74   9.455  -8.193   0.075
  582    HD3  LYS  74           1HD      LYS  74   7.726  -8.532   0.128
  583    HE2  LYS  74           2HE      LYS  74   8.046 -10.543  -1.160
  584    HE3  LYS  74           1HE      LYS  74   9.769 -10.198  -1.316
  585    HZ1  LYS  74           3HZ      LYS  74   9.358 -11.795   0.431
  586    HZ2  LYS  74           1HZ      LYS  74   8.326 -10.712   1.226
  587    HZ3  LYS  74           2HZ      LYS  74   9.977 -10.365   1.084
  588    HA   PRO  75           HA       PRO  75   4.511  -7.191   2.371
  589    HB2  PRO  75           2HB      PRO  75   4.519  -9.904   1.110
  590    HB3  PRO  75           1HB      PRO  75   3.261  -9.114   2.069
  591    HG2  PRO  75           2HG      PRO  75   3.060  -9.229  -0.573
  592    HG3  PRO  75           1HG      PRO  75   2.579  -7.771   0.307
  593    HD2  PRO  75           2HD      PRO  75   4.982  -8.254  -1.370
  594    HD3  PRO  75           1HD      PRO  75   4.087  -6.756  -1.081
  595    H    ARG  76           H        ARG  76   5.367  -7.856   4.191
  596    HA   ARG  76           HA       ARG  76   8.099  -8.320   4.464
  597    HB2  ARG  76           2HB      ARG  76   5.992  -9.098   6.471
  598    HB3  ARG  76           1HB      ARG  76   7.651  -8.624   6.791
  599    HG2  ARG  76           2HG      ARG  76   7.232  -6.390   6.489
  600    HG3  ARG  76           1HG      ARG  76   5.843  -6.682   5.440
  601    HD2  ARG  76           2HD      ARG  76   5.942  -7.200   8.411
  602    HD3  ARG  76           1HD      ARG  76   5.171  -5.810   7.638
  603    HE   ARG  76           HE       ARG  76   3.990  -7.944   6.436
  604   HH11  ARG  76          1HH1      ARG  76   4.443  -7.031   9.784
  605   HH12  ARG  76          2HH1      ARG  76   2.964  -7.768  10.310
  606   HH21  ARG  76          1HH2      ARG  76   2.058  -8.891   7.106
  607   HH22  ARG  76          2HH2      ARG  76   1.609  -8.840   8.791
  608    H    ALA  77           H        ALA  77   5.406 -10.510   4.175
  609    HA   ALA  77           HA       ALA  77   6.616 -12.882   5.038
  610    HB1  ALA  77           1HB      ALA  77   4.501 -12.526   2.919
  611    HB2  ALA  77           2HB      ALA  77   4.210 -12.654   4.653
  612    HB3  ALA  77           3HB      ALA  77   4.880 -14.025   3.769
  613    H    VAL  78           H        VAL  78   8.661 -13.153   4.315
  614    HA   VAL  78           HA       VAL  78   9.548 -12.961   1.656
  615    HB   VAL  78           HB       VAL  78  10.619 -14.754   3.843
  616   HG11  VAL  78          1HG1      VAL  78  12.734 -14.656   2.607
  617   HG12  VAL  78          2HG1      VAL  78  11.937 -13.745   1.327
  618   HG13  VAL  78          3HG1      VAL  78  11.454 -15.408   1.658
  619   HG21  VAL  78          3HG2      VAL  78  12.217 -12.938   4.269
  620   HG22  VAL  78          1HG2      VAL  78  10.552 -12.435   4.557
  621   HG23  VAL  78          2HG2      VAL  78  11.379 -11.938   3.082
  622    H    LYS  79           H        LYS  79   7.846 -15.430   3.384
  623    HA   LYS  79           HA       LYS  79   8.383 -17.648   1.765
  624    HB2  LYS  79           2HB      LYS  79   7.382 -17.836   3.976
  625    HB3  LYS  79           1HB      LYS  79   5.938 -17.003   3.417
  626    HG2  LYS  79           2HG      LYS  79   5.397 -18.841   1.947
  627    HG3  LYS  79           1HG      LYS  79   6.900 -19.661   2.378
  628    HD2  LYS  79           2HD      LYS  79   6.157 -19.891   4.668
  629    HD3  LYS  79           1HD      LYS  79   4.694 -18.972   4.315
  630    HE2  LYS  79           2HE      LYS  79   4.284 -21.393   4.381
  631    HE3  LYS  79           1HE      LYS  79   3.934 -20.697   2.801
  632    HZ1  LYS  79           3HZ      LYS  79   6.436 -22.129   3.512
  633    HZ2  LYS  79           1HZ      LYS  79   6.035 -21.515   1.986
  634    HZ3  LYS  79           2HZ      LYS  79   5.149 -22.794   2.645
  635    H    ASN  80           H        ASN  80   6.202 -14.951   1.283
  636    HA   ASN  80           HA       ASN  80   4.533 -16.278  -0.623
  637    HB2  ASN  80           2HB      ASN  80   4.952 -13.355  -0.046
  638    HB3  ASN  80           1HB      ASN  80   3.799 -13.956  -1.229
  639   HD21  ASN  80          1HD2      ASN  80   3.214 -12.376   1.019
  640   HD22  ASN  80          2HD2      ASN  80   2.183 -13.302   2.042
  641    H    SER  81           H        SER  81   7.326 -14.147  -0.803
  642    HA   SER  81           HA       SER  81   8.846 -13.701  -2.403
  643    HB2  SER  81           2HB      SER  81   7.715 -16.146  -3.776
  644    HB3  SER  81           1HB      SER  81   9.242 -15.357  -4.174
  645    HG   SER  81           HG       SER  81   8.554 -16.923  -1.958
  646    H    SER  82           H        SER  82   6.124 -14.894  -4.397
  647    HA   SER  82           HA       SER  82   6.563 -12.650  -6.203
  648    HB2  SER  82           2HB      SER  82   4.717 -15.020  -6.541
  649    HB3  SER  82           1HB      SER  82   5.259 -13.905  -7.795
  650    HG   SER  82           HG       SER  82   6.426 -15.905  -7.756
  651    H    VAL  83           H        VAL  83   5.582 -11.460  -4.143
  652    HA   VAL  83           HA       VAL  83   2.855 -10.798  -4.955
  653    HB   VAL  83           HB       VAL  83   2.557 -12.288  -3.041
  654   HG11  VAL  83          1HG1      VAL  83   3.388 -11.648  -0.809
  655   HG12  VAL  83          2HG1      VAL  83   4.318 -10.348  -1.559
  656   HG13  VAL  83          3HG1      VAL  83   4.685 -12.025  -1.945
  657   HG21  VAL  83          3HG2      VAL  83   1.264 -10.781  -1.581
  658   HG22  VAL  83          1HG2      VAL  83   0.969 -10.476  -3.292
  659   HG23  VAL  83          2HG2      VAL  83   2.015  -9.396  -2.375
  660    H    GLN  84           H        GLN  84   2.454  -8.634  -4.942
  661    HA   GLN  84           HA       GLN  84   4.331  -6.864  -3.553
  662    HB2  GLN  84           2HB      GLN  84   3.710  -6.750  -6.503
  663    HB3  GLN  84           1HB      GLN  84   4.429  -5.418  -5.615
  664    HG2  GLN  84           2HG      GLN  84   6.347  -6.825  -5.058
  665    HG3  GLN  84           1HG      GLN  84   5.623  -8.157  -5.960
  666   HE21  GLN  84          1HE2      GLN  84   5.516  -8.038  -8.200
  667   HE22  GLN  84          2HE2      GLN  84   6.487  -6.933  -9.108
  668    H    PHE  85           H        PHE  85   3.590  -4.700  -3.340
  669    HA   PHE  85           HA       PHE  85   0.724  -4.301  -3.881
  670    HB2  PHE  85           2HB      PHE  85   2.378  -3.259  -1.573
  671    HB3  PHE  85           1HB      PHE  85   0.778  -2.652  -1.979
  672    HD1  PHE  85           2HD      PHE  85  -1.051  -4.558  -2.212
  673    HD2  PHE  85           1HD      PHE  85   2.532  -4.855   0.058
  674    HE1  PHE  85           2HE      PHE  85  -2.078  -6.317  -0.833
  675    HE2  PHE  85           1HE      PHE  85   1.510  -6.609   1.447
  676    HZ   PHE  85           HZ       PHE  85  -0.796  -7.345   1.002
  677    H    HIS  86           H        HIS  86   0.348  -2.782  -5.313
  678    HA   HIS  86           HA       HIS  86   2.433  -0.840  -5.976
  679    HB2  HIS  86           2HB      HIS  86  -0.020  -1.866  -7.298
  680    HB3  HIS  86           1HB      HIS  86   0.422  -0.202  -7.649
  681    HD1  HIS  86           1HD      HIS  86   1.570  -3.750  -8.154
  682    HD2  HIS  86           2HD      HIS  86   2.626   0.116  -9.294
  683    HE1  HIS  86           1HE      HIS  86   3.289  -4.016  -9.970
  684    HE2  HIS  86           2HE      HIS  86   3.757  -1.679 -10.776
  685    H    VAL  87           H        VAL  87   2.453   0.762  -4.485
  686    HA   VAL  87           HA       VAL  87  -0.102   1.799  -3.512
  687    HB   VAL  87           HB       VAL  87   2.717   2.431  -2.623
  688   HG11  VAL  87          1HG1      VAL  87   1.211   4.305  -2.244
  689   HG12  VAL  87          2HG1      VAL  87   1.664   3.545  -0.719
  690   HG13  VAL  87          3HG1      VAL  87   0.076   3.236  -1.421
  691   HG21  VAL  87          3HG2      VAL  87   0.588   0.724  -1.347
  692   HG22  VAL  87          1HG2      VAL  87   2.141   1.134  -0.621
  693   HG23  VAL  87          2HG2      VAL  87   2.083   0.150  -2.082
  694    H    ILE  88           H        ILE  88  -0.986   3.378  -4.618
  695    HA   ILE  88           HA       ILE  88   0.763   5.121  -6.220
  696    HB   ILE  88           HB       ILE  88  -2.115   4.339  -6.697
  697   HG12  ILE  88          2HG1      ILE  88   0.373   3.602  -8.251
  698   HG13  ILE  88          1HG1      ILE  88  -0.410   2.546  -7.079
  699   HG21  ILE  88          1HG2      ILE  88  -1.668   6.592  -7.487
  700   HG22  ILE  88          2HG2      ILE  88  -1.866   5.487  -8.847
  701   HG23  ILE  88          3HG2      ILE  88  -0.253   6.018  -8.370
  702   HD11  ILE  88          3HD1      ILE  88  -1.023   1.948  -9.341
  703   HD12  ILE  88          1HD1      ILE  88  -1.635   3.577  -9.625
  704   HD13  ILE  88          2HD1      ILE  88  -2.428   2.528  -8.449
  705    H    PHE  89           H        PHE  89   0.555   7.295  -6.082
  706    HA   PHE  89           HA       PHE  89  -1.158   8.251  -3.907
  707    HB2  PHE  89           2HB      PHE  89   1.362   9.364  -5.125
  708    HB3  PHE  89           1HB      PHE  89   0.374  10.240  -3.955
  709    HD1  PHE  89           2HD      PHE  89  -0.177   9.031  -1.776
  710    HD2  PHE  89           1HD      PHE  89   2.988   7.888  -4.375
  711    HE1  PHE  89           2HE      PHE  89   0.868   7.778   0.057
  712    HE2  PHE  89           1HE      PHE  89   4.034   6.621  -2.546
  713    HZ   PHE  89           HZ       PHE  89   2.956   6.573  -0.339
  714    H    ASP  90           H        ASP  90  -3.027   9.036  -4.616
  715    HA   ASP  90           HA       ASP  90  -3.148  10.447  -7.186
  716    HB2  ASP  90           2HB      ASP  90  -5.384   9.483  -5.380
  717    HB3  ASP  90           1HB      ASP  90  -5.601  10.246  -6.948
  718    H    GLU  91           H        GLU  91  -3.458  12.634  -7.280
  719    HA   GLU  91           HA       GLU  91  -3.671  14.011  -4.712
  720    HB2  GLU  91           2HB      GLU  91  -3.072  16.055  -5.934
  721    HB3  GLU  91           1HB      GLU  91  -1.878  14.787  -6.144
  722    HG2  GLU  91           2HG      GLU  91  -4.018  15.133  -8.182
  723    HG3  GLU  91           1HG      GLU  91  -2.654  16.248  -8.155
  724    H    GLU  92           H        GLU  92  -5.548  14.673  -4.001
  725    HA   GLU  92           HA       GLU  92  -7.521  15.667  -5.938
  726    HB2  GLU  92           2HB      GLU  92  -8.206  14.178  -3.398
  727    HB3  GLU  92           1HB      GLU  92  -9.325  14.731  -4.632
  728    HG2  GLU  92           2HG      GLU  92  -8.335  13.152  -6.220
  729    HG3  GLU  92           1HG      GLU  92  -7.237  12.590  -4.960
  Start of MODEL    8
    1    H1   GLY   1           1HT      GLY   1   4.824 -22.618 -24.206
    2    H2   GLY   1           2HT      GLY   1   5.688 -21.312 -24.842
    3    H3   GLY   1           3HT      GLY   1   4.784 -21.122 -23.428
    4    HA2  GLY   1           1HA      GLY   1   7.144 -22.888 -23.708
    5    HA3  GLY   1           2HA      GLY   1   7.166 -21.293 -22.974
    6    H    SER   2           H        SER   2   8.077 -22.961 -21.290
    7    HA   SER   2           HA       SER   2   6.185 -24.473 -19.803
    8    HB2  SER   2           2HB      SER   2   8.850 -23.399 -18.855
    9    HB3  SER   2           1HB      SER   2   7.975 -24.792 -18.218
   10    HG   SER   2           HG       SER   2   8.189 -25.467 -20.621
   11    H    ALA   3           H        ALA   3   7.387 -21.194 -19.647
   12    HA   ALA   3           HA       ALA   3   5.705 -20.692 -17.290
   13    HB1  ALA   3           1HB      ALA   3   7.029 -18.663 -16.963
   14    HB2  ALA   3           2HB      ALA   3   7.955 -19.027 -18.419
   15    HB3  ALA   3           3HB      ALA   3   8.061 -20.094 -17.019
   16    H    MET   4           H        MET   4   3.784 -20.664 -18.597
   17    HA   MET   4           HA       MET   4   3.319 -18.953 -20.757
   18    HB2  MET   4           2HB      MET   4   1.304 -19.720 -18.630
   19    HB3  MET   4           1HB      MET   4   0.947 -19.184 -20.263
   20    HG2  MET   4           2HG      MET   4   0.628 -21.493 -20.296
   21    HG3  MET   4           1HG      MET   4   2.201 -21.245 -21.052
   22    HE1  MET   4           3HE      MET   4   1.249 -24.079 -20.021
   23    HE2  MET   4           1HE      MET   4   2.700 -24.650 -19.200
   24    HE3  MET   4           2HE      MET   4   2.835 -23.792 -20.735
   25    H    GLY   5           H        GLY   5   2.882 -18.450 -17.294
   26    HA2  GLY   5           2HA      GLY   5   3.530 -15.682 -17.490
   27    HA3  GLY   5           1HA      GLY   5   1.808 -15.933 -17.222
   28    H    HIS   6           H        HIS   6   2.845 -14.595 -15.294
   29    HA   HIS   6           HA       HIS   6   3.995 -16.244 -13.233
   30    HB2  HIS   6           2HB      HIS   6   2.893 -13.426 -13.133
   31    HB3  HIS   6           1HB      HIS   6   3.755 -14.222 -11.820
   32    HD1  HIS   6           1HD      HIS   6   4.322 -11.924 -14.463
   33    HD2  HIS   6           2HD      HIS   6   6.490 -15.077 -12.836
   34    HE1  HIS   6           1HE      HIS   6   6.708 -11.522 -15.136
   35    HE2  HIS   6           2HE      HIS   6   7.967 -13.533 -14.294
   36    H    MET   7           H        MET   7   2.553 -17.874 -12.836
   37    HA   MET   7           HA       MET   7  -0.225 -17.534 -12.566
   38    HB2  MET   7           2HB      MET   7   1.476 -19.773 -11.458
   39    HB3  MET   7           1HB      MET   7  -0.266 -19.802 -11.652
   40    HG2  MET   7           2HG      MET   7   1.728 -19.562 -13.890
   41    HG3  MET   7           1HG      MET   7   0.920 -21.047 -13.397
   42    HE1  MET   7           3HE      MET   7  -0.883 -20.459 -16.742
   43    HE2  MET   7           1HE      MET   7  -0.073 -21.617 -15.687
   44    HE3  MET   7           2HE      MET   7   0.829 -20.264 -16.368
   45    HA   PRO   8           HA       PRO   8   0.217 -17.409  -7.889
   46    HB2  PRO   8           2HB      PRO   8   2.492 -17.859  -6.596
   47    HB3  PRO   8           1HB      PRO   8   1.636 -19.187  -7.388
   48    HG2  PRO   8           2HG      PRO   8   4.099 -17.750  -8.234
   49    HG3  PRO   8           1HG      PRO   8   3.645 -19.444  -8.475
   50    HD2  PRO   8           2HD      PRO   8   3.381 -17.320 -10.336
   51    HD3  PRO   8           1HD      PRO   8   2.754 -18.968 -10.495
   52    H    ALA   9           H        ALA   9   0.915 -15.188  -9.640
   53    HA   ALA   9           HA       ALA   9   2.434 -13.456  -7.811
   54    HB1  ALA   9           1HB      ALA   9   2.715 -11.960  -9.750
   55    HB2  ALA   9           2HB      ALA   9   1.860 -13.134 -10.753
   56    HB3  ALA   9           3HB      ALA   9   3.404 -13.560 -10.013
   57    H    VAL  10           H        VAL  10   1.503 -11.713  -6.921
   58    HA   VAL  10           HA       VAL  10  -1.196 -10.979  -7.834
   59    HB   VAL  10           HB       VAL  10  -0.308 -11.142  -4.947
   60   HG11  VAL  10          1HG1      VAL  10  -2.612 -10.542  -4.406
   61   HG12  VAL  10          2HG1      VAL  10  -2.981 -10.386  -6.123
   62   HG13  VAL  10          3HG1      VAL  10  -1.835  -9.282  -5.364
   63   HG21  VAL  10          3HG2      VAL  10  -1.963 -12.924  -4.722
   64   HG22  VAL  10          1HG2      VAL  10  -0.724 -13.352  -5.901
   65   HG23  VAL  10          2HG2      VAL  10  -2.314 -12.821  -6.446
   66    H    ASP  11           H        ASP  11  -1.113  -8.966  -8.561
   67    HA   ASP  11           HA       ASP  11   0.550  -7.011  -7.115
   68    HB2  ASP  11           2HB      ASP  11  -0.621  -6.940  -9.909
   69    HB3  ASP  11           1HB      ASP  11   0.125  -5.546  -9.137
   70    H    VAL  12           H        VAL  12  -0.527  -5.793  -5.703
   71    HA   VAL  12           HA       VAL  12  -3.425  -5.493  -6.097
   72    HB   VAL  12           HB       VAL  12  -2.310  -6.523  -3.931
   73   HG11  VAL  12          1HG1      VAL  12  -2.308  -4.729  -2.133
   74   HG12  VAL  12          2HG1      VAL  12  -2.116  -3.575  -3.455
   75   HG13  VAL  12          3HG1      VAL  12  -0.909  -4.831  -3.191
   76   HG21  VAL  12          3HG2      VAL  12  -4.282  -5.848  -2.652
   77   HG22  VAL  12          1HG2      VAL  12  -4.691  -6.312  -4.304
   78   HG23  VAL  12          2HG2      VAL  12  -4.628  -4.606  -3.856
   79    H    GLU  13           H        GLU  13  -4.396  -3.478  -6.059
   80    HA   GLU  13           HA       GLU  13  -2.525  -1.254  -6.457
   81    HB2  GLU  13           2HB      GLU  13  -5.411  -1.523  -7.311
   82    HB3  GLU  13           1HB      GLU  13  -4.367  -0.151  -7.652
   83    HG2  GLU  13           2HG      GLU  13  -2.918  -1.579  -8.990
   84    HG3  GLU  13           1HG      GLU  13  -3.952  -2.963  -8.637
   85    H    ILE  14           H        ILE  14  -2.266  -0.081  -4.699
   86    HA   ILE  14           HA       ILE  14  -4.639   0.530  -3.067
   87    HB   ILE  14           HB       ILE  14  -1.716   0.743  -2.300
   88   HG12  ILE  14          2HG1      ILE  14  -3.832  -1.284  -1.531
   89   HG13  ILE  14          1HG1      ILE  14  -2.378  -1.590  -2.473
   90   HG21  ILE  14          1HG2      ILE  14  -3.088   2.401  -1.178
   91   HG22  ILE  14          2HG2      ILE  14  -2.553   1.166  -0.038
   92   HG23  ILE  14          3HG2      ILE  14  -4.206   1.142  -0.651
   93   HD11  ILE  14          3HD1      ILE  14  -2.522  -0.855   0.442
   94   HD12  ILE  14          1HD1      ILE  14  -1.024  -1.024  -0.479
   95   HD13  ILE  14          2HD1      ILE  14  -2.078  -2.417  -0.243
   96    H    HIS  15           H        HIS  15  -5.118   2.724  -2.683
   97    HA   HIS  15           HA       HIS  15  -3.408   4.638  -4.116
   98    HB2  HIS  15           2HB      HIS  15  -6.429   4.604  -4.054
   99    HB3  HIS  15           1HB      HIS  15  -5.457   5.917  -4.712
  100    HD1  HIS  15           1HD      HIS  15  -6.953   2.704  -5.575
  101    HD2  HIS  15           2HD      HIS  15  -3.904   5.120  -7.039
  102    HE1  HIS  15           1HE      HIS  15  -6.476   1.859  -7.893
  103    HE2  HIS  15           2HE      HIS  15  -4.810   3.496  -8.835
  104    H    PHE  16           H        PHE  16  -2.559   6.034  -2.811
  105    HA   PHE  16           HA       PHE  16  -4.153   7.000  -0.530
  106    HB2  PHE  16           2HB      PHE  16  -1.144   6.800  -0.797
  107    HB3  PHE  16           1HB      PHE  16  -1.978   7.579   0.533
  108    HD1  PHE  16           1HD      PHE  16  -4.211   5.499   0.780
  109    HD2  PHE  16           2HD      PHE  16   0.013   5.188   0.456
  110    HE1  PHE  16           1HE      PHE  16  -4.275   3.382   2.020
  111    HE2  PHE  16           2HE      PHE  16  -0.044   3.062   1.686
  112    HZ   PHE  16           HZ       PHE  16  -2.191   2.162   2.470
  113    HA   PRO  17           HA       PRO  17  -3.987  10.682  -3.175
  114    HB2  PRO  17           2HB      PRO  17  -5.512  11.779  -0.892
  115    HB3  PRO  17           1HB      PRO  17  -5.895  11.792  -2.612
  116    HG2  PRO  17           2HG      PRO  17  -7.184  10.199  -0.899
  117    HG3  PRO  17           1HG      PRO  17  -6.843   9.695  -2.562
  118    HD2  PRO  17           2HD      PRO  17  -5.513   8.886  -0.019
  119    HD3  PRO  17           1HD      PRO  17  -5.826   7.933  -1.484
  120    H    LEU  18           H        LEU  18  -2.329  12.057  -3.132
  121    HA   LEU  18           HA       LEU  18  -0.315  11.867  -1.322
  122    HB2  LEU  18           2HB      LEU  18  -0.058  14.458  -2.300
  123    HB3  LEU  18           1HB      LEU  18   0.720  13.013  -2.889
  124    HG   LEU  18           HG       LEU  18  -1.989  13.758  -3.926
  125   HD11  LEU  18          1HD1      LEU  18  -0.949  15.110  -5.653
  126   HD12  LEU  18          2HD1      LEU  18   0.632  14.883  -4.905
  127   HD13  LEU  18          3HD1      LEU  18  -0.620  15.794  -4.062
  128   HD21  LEU  18          3HD2      LEU  18  -0.990  11.591  -4.526
  129   HD22  LEU  18          1HD2      LEU  18   0.430  12.430  -5.150
  130   HD23  LEU  18          2HD2      LEU  18  -1.137  12.653  -5.926
  131    H    LYS  19           H        LYS  19  -2.807  14.412  -1.331
  132    HA   LYS  19           HA       LYS  19  -1.403  15.968   0.585
  133    HB2  LYS  19           2HB      LYS  19  -3.295  17.413   0.645
  134    HB3  LYS  19           1HB      LYS  19  -2.992  16.957  -1.016
  135    HG2  LYS  19           2HG      LYS  19  -4.860  15.315  -0.814
  136    HG3  LYS  19           1HG      LYS  19  -5.191  15.973   0.791
  137    HD2  LYS  19           2HD      LYS  19  -5.331  18.247  -0.336
  138    HD3  LYS  19           1HD      LYS  19  -5.363  17.379  -1.864
  139    HE2  LYS  19           2HE      LYS  19  -7.376  17.245   0.359
  140    HE3  LYS  19           1HE      LYS  19  -7.582  17.881  -1.270
  141    HZ1  LYS  19           3HZ      LYS  19  -7.258  15.650  -2.143
  142    HZ2  LYS  19           1HZ      LYS  19  -8.585  15.728  -1.094
  143    HZ3  LYS  19           2HZ      LYS  19  -7.138  15.042  -0.567
  144    H    ARG  20           H        ARG  20  -3.753  13.437   0.915
  145    HA   ARG  20           HA       ARG  20  -4.127  14.133   3.721
  146    HB2  ARG  20           2HB      ARG  20  -5.930  12.559   3.796
  147    HB3  ARG  20           1HB      ARG  20  -6.117  13.562   2.368
  148    HG2  ARG  20           2HG      ARG  20  -5.222  11.747   0.993
  149    HG3  ARG  20           1HG      ARG  20  -5.074  10.742   2.434
  150    HD2  ARG  20           2HD      ARG  20  -7.104  10.084   1.473
  151    HD3  ARG  20           1HD      ARG  20  -7.562  11.167   2.783
  152    HE   ARG  20           HE       ARG  20  -7.398  12.138  -0.000
  153   HH11  ARG  20          1HH1      ARG  20  -9.152  11.849   3.022
  154   HH12  ARG  20          2HH1      ARG  20 -10.599  12.565   2.384
  155   HH21  ARG  20          1HH2      ARG  20  -9.303  13.107  -0.819
  156   HH22  ARG  20          2HH2      ARG  20 -10.685  13.285   0.227
  157    H    ILE  21           H        ILE  21  -2.502  11.722   1.762
  158    HA   ILE  21           HA       ILE  21  -1.994   9.933   3.946
  159    HB   ILE  21           HB       ILE  21  -1.903   9.160   1.615
  160   HG12  ILE  21          2HG1      ILE  21   0.046   7.740   1.817
  161   HG13  ILE  21          1HG1      ILE  21   0.794   8.862   2.949
  162   HG21  ILE  21          1HG2      ILE  21   0.590  10.843   1.423
  163   HG22  ILE  21          2HG2      ILE  21  -0.920  11.091   0.545
  164   HG23  ILE  21          3HG2      ILE  21   0.066   9.667   0.220
  165   HD11  ILE  21          3HD1      ILE  21  -1.729   7.307   3.465
  166   HD12  ILE  21          1HD1      ILE  21  -0.880   8.348   4.607
  167   HD13  ILE  21          2HD1      ILE  21  -0.118   6.864   4.035
  168    H    ALA  22           H        ALA  22  -0.528  12.838   2.743
  169    HA   ALA  22           HA       ALA  22   1.914  12.531   4.252
  170    HB1  ALA  22           1HB      ALA  22   0.774  14.975   2.901
  171    HB2  ALA  22           2HB      ALA  22   1.872  13.813   2.158
  172    HB3  ALA  22           3HB      ALA  22   2.417  14.795   3.519
  173    H    ALA  23           H        ALA  23  -1.237  13.287   5.006
  174    HA   ALA  23           HA       ALA  23  -0.611  15.325   6.997
  175    HB1  ALA  23           1HB      ALA  23  -2.524  15.703   5.531
  176    HB2  ALA  23           2HB      ALA  23  -3.038  15.549   7.212
  177    HB3  ALA  23           3HB      ALA  23  -3.260  14.204   6.094
  178    H    GLU  24           H        GLU  24  -2.005  15.095   9.039
  179    HA   GLU  24           HA       GLU  24  -1.742  12.370  10.099
  180    HB2  GLU  24           2HB      GLU  24  -0.709  14.633  11.170
  181    HB3  GLU  24           1HB      GLU  24  -2.295  14.653  11.924
  182    HG2  GLU  24           2HG      GLU  24  -0.319  12.382  12.072
  183    HG3  GLU  24           1HG      GLU  24  -0.601  13.581  13.333
  184    H    GLY  25           H        GLY  25  -3.549  11.622  11.412
  185    HA2  GLY  25           2HA      GLY  25  -5.850  11.393  11.765
  186    HA3  GLY  25           1HA      GLY  25  -6.109  12.900  10.886
  187    H    TYR  26           H        TYR  26  -4.022  10.566   9.539
  188    HA   TYR  26           HA       TYR  26  -5.415  10.397   7.119
  189    HB2  TYR  26           2HB      TYR  26  -3.820   8.505   6.624
  190    HB3  TYR  26           1HB      TYR  26  -3.049  10.003   7.129
  191    HD1  TYR  26           2HD      TYR  26  -3.919   6.572   8.179
  192    HD2  TYR  26           1HD      TYR  26  -1.772  10.116   9.149
  193    HE1  TYR  26           2HE      TYR  26  -2.728   5.356   9.951
  194    HE2  TYR  26           1HE      TYR  26  -0.572   8.907  10.922
  195    HH   TYR  26           HH       TYR  26  -0.838   6.952  12.316
  196    H    ALA  27           H        ALA  27  -5.503   8.470  10.027
  197    HA   ALA  27           HA       ALA  27  -7.009   6.302   8.920
  198    HB1  ALA  27           1HB      ALA  27  -7.310   5.591  11.233
  199    HB2  ALA  27           2HB      ALA  27  -6.685   7.139  11.803
  200    HB3  ALA  27           3HB      ALA  27  -5.629   6.028  10.931
  201    H    GLU  28           H        GLU  28  -7.716   9.422  10.198
  202    HA   GLU  28           HA       GLU  28 -10.513   8.970  10.667
  203    HB2  GLU  28           2HB      GLU  28  -9.041  11.589  10.299
  204    HB3  GLU  28           1HB      GLU  28 -10.636  11.375  11.006
  205    HG2  GLU  28           2HG      GLU  28  -8.120  10.215  12.171
  206    HG3  GLU  28           1HG      GLU  28  -8.801  11.769  12.642
  207    H    ASP  29           H        ASP  29  -8.471   9.958   8.040
  208    HA   ASP  29           HA       ASP  29 -10.449  10.878   6.249
  209    HB2  ASP  29           2HB      ASP  29  -7.674   9.772   5.923
  210    HB3  ASP  29           1HB      ASP  29  -8.682  10.052   4.510
  211    H    GLU  30           H        GLU  30 -12.183   9.679   5.816
  212    HA   GLU  30           HA       GLU  30 -12.297   6.910   6.264
  213    HB2  GLU  30           2HB      GLU  30 -14.215   8.517   6.381
  214    HB3  GLU  30           1HB      GLU  30 -14.212   8.564   4.623
  215    HG2  GLU  30           2HG      GLU  30 -14.654   6.162   4.564
  216    HG3  GLU  30           1HG      GLU  30 -14.676   6.131   6.326
  217    H    LEU  31           H        LEU  31 -11.646   8.799   3.396
  218    HA   LEU  31           HA       LEU  31 -12.142   6.845   1.456
  219    HB2  LEU  31           2HB      LEU  31 -11.721   9.273   1.029
  220    HB3  LEU  31           1HB      LEU  31 -10.029   9.004   1.398
  221    HG   LEU  31           HG       LEU  31  -9.901   7.426  -0.517
  222   HD11  LEU  31          1HD1      LEU  31 -12.706   8.394  -1.037
  223   HD12  LEU  31          2HD1      LEU  31 -12.224   6.752  -0.614
  224   HD13  LEU  31          3HD1      LEU  31 -11.729   7.447  -2.157
  225   HD21  LEU  31          3HD2      LEU  31  -9.948   9.140  -2.253
  226   HD22  LEU  31          1HD2      LEU  31  -9.229   9.759  -0.767
  227   HD23  LEU  31          2HD2      LEU  31 -10.882  10.196  -1.192
  228    H    LEU  32           H        LEU  32  -9.295   7.584   3.404
  229    HA   LEU  32           HA       LEU  32  -7.531   5.803   2.114
  230    HB2  LEU  32           2HB      LEU  32  -7.255   7.829   3.860
  231    HB3  LEU  32           1HB      LEU  32  -7.187   6.484   4.984
  232    HG   LEU  32           HG       LEU  32  -5.402   5.532   3.447
  233   HD11  LEU  32          1HD1      LEU  32  -5.379   8.390   2.514
  234   HD12  LEU  32          2HD1      LEU  32  -5.778   6.975   1.539
  235   HD13  LEU  32          3HD1      LEU  32  -4.140   7.190   2.154
  236   HD21  LEU  32          3HD2      LEU  32  -4.950   6.427   5.673
  237   HD22  LEU  32          1HD2      LEU  32  -4.825   8.048   4.990
  238   HD23  LEU  32          2HD2      LEU  32  -3.645   6.815   4.550
  239    H    LEU  33           H        LEU  33  -9.616   5.638   4.933
  240    HA   LEU  33           HA       LEU  33  -8.788   3.096   5.844
  241    HB2  LEU  33           2HB      LEU  33 -10.232   5.051   6.923
  242    HB3  LEU  33           1HB      LEU  33 -11.557   4.066   6.335
  243    HG   LEU  33           HG       LEU  33 -10.565   2.135   7.611
  244   HD11  LEU  33          1HD1      LEU  33  -8.879   4.337   8.794
  245   HD12  LEU  33          2HD1      LEU  33  -8.299   2.974   7.834
  246   HD13  LEU  33          3HD1      LEU  33  -9.009   2.696   9.424
  247   HD21  LEU  33          3HD2      LEU  33 -11.406   4.565   9.185
  248   HD22  LEU  33          1HD2      LEU  33 -11.434   2.900   9.765
  249   HD23  LEU  33          2HD2      LEU  33 -12.484   3.389   8.436
  250    H    ASN  34           H        ASN  34 -11.536   4.155   3.845
  251    HA   ASN  34           HA       ASN  34 -12.761   1.650   3.565
  252    HB2  ASN  34           2HB      ASN  34 -12.766   4.018   1.684
  253    HB3  ASN  34           1HB      ASN  34 -13.789   2.602   1.479
  254   HD21  ASN  34          1HD2      ASN  34 -14.630   5.307   1.831
  255   HD22  ASN  34          2HD2      ASN  34 -15.557   5.373   3.288
  256    H    GLN  35           H        GLN  35 -10.255   3.214   1.604
  257    HA   GLN  35           HA       GLN  35 -10.150   1.201  -0.379
  258    HB2  GLN  35           2HB      GLN  35  -8.054   3.177   0.530
  259    HB3  GLN  35           1HB      GLN  35  -7.891   2.150  -0.889
  260    HG2  GLN  35           2HG      GLN  35  -9.709   3.212  -1.973
  261    HG3  GLN  35           1HG      GLN  35 -10.163   4.079  -0.507
  262   HE21  GLN  35          1HE2      GLN  35  -8.866   5.787   0.197
  263   HE22  GLN  35          2HE2      GLN  35  -7.795   6.621  -0.876
  264    H    MET  36           H        MET  36  -8.345   1.661   2.645
  265    HA   MET  36           HA       MET  36  -6.891  -0.810   2.185
  266    HB2  MET  36           2HB      MET  36  -6.758   1.258   4.357
  267    HB3  MET  36           1HB      MET  36  -5.904  -0.273   4.470
  268    HG2  MET  36           2HG      MET  36  -5.521   1.923   2.474
  269    HG3  MET  36           1HG      MET  36  -4.353   1.265   3.618
  270    HE1  MET  36           3HE      MET  36  -3.264  -1.301   3.292
  271    HE2  MET  36           1HE      MET  36  -3.872  -2.373   2.030
  272    HE3  MET  36           2HE      MET  36  -4.945  -1.842   3.325
  273    H    GLY  37           H        GLY  37  -9.921  -0.253   3.200
  274    HA2  GLY  37           2HA      GLY  37  -9.882  -2.679   4.871
  275    HA3  GLY  37           1HA      GLY  37 -11.254  -1.591   4.677
  276    H    LYS  38           H        LYS  38 -10.822  -1.380   1.816
  277    HA   LYS  38           HA       LYS  38 -12.485  -3.514   0.944
  278    HB2  LYS  38           2HB      LYS  38 -12.725  -1.319  -0.015
  279    HB3  LYS  38           1HB      LYS  38 -11.037  -1.304  -0.508
  280    HG2  LYS  38           2HG      LYS  38 -11.534  -3.187  -2.053
  281    HG3  LYS  38           1HG      LYS  38 -13.240  -3.027  -1.627
  282    HD2  LYS  38           2HD      LYS  38 -13.282  -0.766  -2.482
  283    HD3  LYS  38           1HD      LYS  38 -11.546  -0.817  -2.794
  284    HE2  LYS  38           2HE      LYS  38 -13.617  -2.571  -4.112
  285    HE3  LYS  38           1HE      LYS  38 -12.873  -1.146  -4.837
  286    HZ1  LYS  38           3HZ      LYS  38 -11.457  -3.621  -4.012
  287    HZ2  LYS  38           1HZ      LYS  38 -10.719  -2.251  -4.669
  288    HZ3  LYS  38           2HZ      LYS  38 -11.801  -3.155  -5.596
  289    H    VAL  39           H        VAL  39  -9.207  -2.515  -0.060
  290    HA   VAL  39           HA       VAL  39  -8.948  -5.035  -1.516
  291    HB   VAL  39           HB       VAL  39  -8.458  -2.726  -2.512
  292   HG11  VAL  39          1HG1      VAL  39  -5.908  -3.054  -0.938
  293   HG12  VAL  39          2HG1      VAL  39  -7.125  -1.794  -0.718
  294   HG13  VAL  39          3HG1      VAL  39  -6.185  -1.864  -2.210
  295   HG21  VAL  39          3HG2      VAL  39  -6.416  -4.921  -2.731
  296   HG22  VAL  39          1HG2      VAL  39  -6.609  -3.590  -3.874
  297   HG23  VAL  39          2HG2      VAL  39  -7.908  -4.764  -3.659
  298    H    ASN  40           H        ASN  40  -8.886  -5.085   1.293
  299    HA   ASN  40           HA       ASN  40  -6.158  -5.935   1.888
  300    HB2  ASN  40           2HB      ASN  40  -6.175  -3.628   2.535
  301    HB3  ASN  40           1HB      ASN  40  -7.708  -3.815   3.368
  302   HD21  ASN  40          1HD2      ASN  40  -4.357  -4.771   3.385
  303   HD22  ASN  40          2HD2      ASN  40  -4.243  -5.029   5.090
  304    H    ASP  41           H        ASP  41  -9.341  -6.614   1.869
  305    HA   ASP  41           HA       ASP  41  -9.814  -7.760   4.416
  306    HB2  ASP  41           2HB      ASP  41 -11.699  -7.275   3.012
  307    HB3  ASP  41           1HB      ASP  41 -11.053  -8.253   1.701
  308    H    THR  42           H        THR  42  -8.768  -9.123   1.320
  309    HA   THR  42           HA       THR  42  -7.583 -11.377   2.798
  310    HB   THR  42           HB       THR  42  -8.134 -12.331   0.225
  311    HG1  THR  42           1HG      THR  42 -10.425 -11.026   1.343
  312   HG21  THR  42          3HG2      THR  42  -9.695 -13.829   1.395
  313   HG22  THR  42          1HG2      THR  42  -9.626 -12.786   2.813
  314   HG23  THR  42          2HG2      THR  42  -8.181 -13.647   2.282
  315    HA   PRO  43           HA       PRO  43  -4.551  -9.215   0.076
  316    HB2  PRO  43           2HB      PRO  43  -2.961  -8.136   1.907
  317    HB3  PRO  43           1HB      PRO  43  -4.560  -7.457   1.579
  318    HG2  PRO  43           2HG      PRO  43  -3.635  -9.104   3.873
  319    HG3  PRO  43           1HG      PRO  43  -4.857  -7.825   3.825
  320    HD2  PRO  43           2HD      PRO  43  -5.300 -10.629   3.738
  321    HD3  PRO  43           1HD      PRO  43  -6.503  -9.345   3.499
  322    H    GLU  44           H        GLU  44  -4.489 -12.052   1.351
  323    HA   GLU  44           HA       GLU  44  -3.107 -13.841   1.176
  324    HB2  GLU  44           2HB      GLU  44  -2.296 -12.786  -0.904
  325    HB3  GLU  44           1HB      GLU  44  -1.088 -11.911   0.024
  326    HG2  GLU  44           2HG      GLU  44  -0.115 -13.833  -1.084
  327    HG3  GLU  44           1HG      GLU  44  -0.044 -14.015   0.669
  328    H    GLU  45           H        GLU  45  -1.164 -11.045   2.172
  329    HA   GLU  45           HA       GLU  45   0.585 -12.546   3.830
  330    HB2  GLU  45           2HB      GLU  45   1.352 -10.504   2.885
  331    HB3  GLU  45           1HB      GLU  45   0.010  -9.605   3.551
  332    HG2  GLU  45           2HG      GLU  45   1.735  -8.966   4.904
  333    HG3  GLU  45           1HG      GLU  45   1.014 -10.274   5.829
  334    H    GLU  46           H        GLU  46  -1.340  -9.849   5.145
  335    HA   GLU  46           HA       GLU  46  -2.298 -11.670   7.247
  336    HB2  GLU  46           2HB      GLU  46  -1.212  -8.874   7.620
  337    HB3  GLU  46           1HB      GLU  46  -2.125  -9.730   8.849
  338    HG2  GLU  46           2HG      GLU  46   0.478 -10.677   7.678
  339    HG3  GLU  46           1HG      GLU  46   0.313  -9.799   9.194
  340    H    GLY  47           H        GLY  47  -2.889  -8.234   7.173
  341    HA2  GLY  47           2HA      GLY  47  -5.196  -8.056   5.669
  342    HA3  GLY  47           1HA      GLY  47  -5.701  -8.585   7.264
  343    H    MET  48           H        MET  48  -6.195  -7.025   8.656
  344    HA   MET  48           HA       MET  48  -6.002  -4.334   8.061
  345    HB2  MET  48           2HB      MET  48  -7.655  -5.136   9.597
  346    HB3  MET  48           1HB      MET  48  -6.424  -5.762  10.683
  347    HG2  MET  48           2HG      MET  48  -6.549  -2.846  10.066
  348    HG3  MET  48           1HG      MET  48  -7.634  -3.560  11.257
  349    HE1  MET  48           3HE      MET  48  -5.295  -1.259  11.514
  350    HE2  MET  48           1HE      MET  48  -4.715  -1.601  13.144
  351    HE3  MET  48           2HE      MET  48  -6.445  -1.616  12.800
  352    HA   PRO  49           HA       PRO  49  -1.894  -4.406  10.889
  353    HB2  PRO  49           2HB      PRO  49  -1.044  -7.012   9.692
  354    HB3  PRO  49           1HB      PRO  49  -0.637  -6.311  11.264
  355    HG2  PRO  49           2HG      PRO  49  -2.434  -8.250  11.098
  356    HG3  PRO  49           1HG      PRO  49  -2.689  -6.879  12.194
  357    HD2  PRO  49           2HD      PRO  49  -3.952  -7.475   9.562
  358    HD3  PRO  49           1HD      PRO  49  -4.650  -6.717  11.009
  359    H    LEU  50           H        LEU  50  -2.299  -5.942   7.701
  360    HA   LEU  50           HA       LEU  50  -0.025  -4.864   6.459
  361    HB2  LEU  50           2HB      LEU  50  -2.688  -5.442   5.222
  362    HB3  LEU  50           1HB      LEU  50  -1.217  -5.111   4.341
  363    HG   LEU  50           HG       LEU  50  -2.134  -7.583   5.629
  364   HD11  LEU  50          1HD1      LEU  50  -1.355  -8.484   3.677
  365   HD12  LEU  50          2HD1      LEU  50  -0.109  -7.248   3.485
  366   HD13  LEU  50          3HD1      LEU  50  -1.801  -6.856   3.168
  367   HD21  LEU  50          3HD2      LEU  50   0.797  -6.863   5.588
  368   HD22  LEU  50          1HD2      LEU  50   0.101  -8.417   6.038
  369   HD23  LEU  50          2HD2      LEU  50  -0.188  -6.999   7.044
  370    H    ARG  51           H        ARG  51  -3.314  -3.716   6.707
  371    HA   ARG  51           HA       ARG  51  -3.042  -1.373   5.243
  372    HB2  ARG  51           2HB      ARG  51  -5.206  -1.550   5.677
  373    HB3  ARG  51           1HB      ARG  51  -4.931  -2.581   7.059
  374    HG2  ARG  51           2HG      ARG  51  -4.649  -0.601   8.468
  375    HG3  ARG  51           1HG      ARG  51  -4.943   0.429   7.060
  376    HD2  ARG  51           2HD      ARG  51  -7.164  -0.297   6.850
  377    HD3  ARG  51           1HD      ARG  51  -6.897  -1.694   7.891
  378    HE   ARG  51           HE       ARG  51  -6.496   0.757   9.289
  379   HH11  ARG  51          1HH1      ARG  51  -8.990  -1.381   8.065
  380   HH12  ARG  51          2HH1      ARG  51 -10.148  -0.947   9.283
  381   HH21  ARG  51          1HH2      ARG  51  -8.010   1.327  10.905
  382   HH22  ARG  51          2HH2      ARG  51  -9.583   0.593  10.904
  383    H    ALA  52           H        ALA  52  -2.429  -1.981   8.657
  384    HA   ALA  52           HA       ALA  52  -1.630   0.616   9.338
  385    HB1  ALA  52           1HB      ALA  52  -2.180  -1.129  10.979
  386    HB2  ALA  52           2HB      ALA  52  -0.619  -0.376  11.298
  387    HB3  ALA  52           3HB      ALA  52  -0.692  -1.975  10.559
  388    H    TRP  53           H        TRP  53   0.385  -2.195   8.253
  389    HA   TRP  53           HA       TRP  53   2.771  -0.651   8.549
  390    HB2  TRP  53           2HB      TRP  53   3.981  -2.543   8.041
  391    HB3  TRP  53           1HB      TRP  53   2.476  -3.255   8.584
  392    HD1  TRP  53           HD       TRP  53   1.506  -5.036   7.179
  393    HE1  TRP  53           1HE      TRP  53   1.822  -5.909   4.778
  394    HE3  TRP  53           3HE      TRP  53   4.804  -1.535   5.426
  395    HZ2  TRP  53           2HZ      TRP  53   3.270  -5.256   2.493
  396    HZ3  TRP  53           3HZ      TRP  53   5.624  -1.764   3.116
  397    HH2  TRP  53           HH       TRP  53   4.867  -3.599   1.686
  398    H    VAL  54           H        VAL  54   0.684  -1.438   5.848
  399    HA   VAL  54           HA       VAL  54   2.470  -0.470   3.872
  400    HB   VAL  54           HB       VAL  54   0.350  -2.065   3.719
  401   HG11  VAL  54          1HG1      VAL  54  -1.337  -0.433   4.193
  402   HG12  VAL  54          2HG1      VAL  54  -1.485  -0.952   2.513
  403   HG13  VAL  54          3HG1      VAL  54  -0.752   0.605   2.893
  404   HG21  VAL  54          3HG2      VAL  54   1.344  -0.264   1.517
  405   HG22  VAL  54          1HG2      VAL  54   0.400  -1.735   1.272
  406   HG23  VAL  54          2HG2      VAL  54   2.007  -1.829   1.992
  407    H    ILE  55           H        ILE  55  -0.358   0.983   5.505
  408    HA   ILE  55           HA       ILE  55  -0.244   3.443   4.150
  409    HB   ILE  55           HB       ILE  55  -1.296   2.742   6.888
  410   HG12  ILE  55          2HG1      ILE  55  -2.680   3.331   4.266
  411   HG13  ILE  55          1HG1      ILE  55  -2.446   1.732   4.969
  412   HG21  ILE  55          1HG2      ILE  55  -1.638   5.348   5.409
  413   HG22  ILE  55          2HG2      ILE  55  -0.691   5.099   6.877
  414   HG23  ILE  55          3HG2      ILE  55  -2.439   4.887   6.914
  415   HD11  ILE  55          3HD1      ILE  55  -3.849   2.370   6.867
  416   HD12  ILE  55          1HD1      ILE  55  -4.707   2.530   5.333
  417   HD13  ILE  55          2HD1      ILE  55  -4.086   3.964   6.150
  418    H    LYS  56           H        LYS  56   1.298   2.342   7.152
  419    HA   LYS  56           HA       LYS  56   2.392   4.834   7.870
  420    HB2  LYS  56           2HB      LYS  56   2.154   2.910   9.403
  421    HB3  LYS  56           1HB      LYS  56   3.443   2.083   8.536
  422    HG2  LYS  56           2HG      LYS  56   5.017   3.816   9.181
  423    HG3  LYS  56           1HG      LYS  56   3.730   4.700  10.001
  424    HD2  LYS  56           2HD      LYS  56   4.685   1.927  10.712
  425    HD3  LYS  56           1HD      LYS  56   5.109   3.408  11.572
  426    HE2  LYS  56           2HE      LYS  56   2.744   3.766  12.107
  427    HE3  LYS  56           1HE      LYS  56   2.327   2.282  11.254
  428    HZ1  LYS  56           3HZ      LYS  56   4.077   2.454  13.643
  429    HZ2  LYS  56           1HZ      LYS  56   3.642   1.034  12.832
  430    HZ3  LYS  56           2HZ      LYS  56   2.465   1.939  13.640
  431    H    CYS  57           H        CYS  57   3.836   2.107   6.088
  432    HA   CYS  57           HA       CYS  57   6.374   3.343   5.812
  433    HB2  CYS  57           2HB      CYS  57   5.120   1.141   4.159
  434    HB3  CYS  57           1HB      CYS  57   6.830   1.568   4.171
  435    HG   CYS  57           HG       CYS  57   5.015  -0.062   6.523
  436    H    ALA  58           H        ALA  58   3.522   3.200   3.718
  437    HA   ALA  58           HA       ALA  58   4.654   4.618   1.546
  438    HB1  ALA  58           1HB      ALA  58   2.604   3.322   1.313
  439    HB2  ALA  58           2HB      ALA  58   2.340   5.003   0.847
  440    HB3  ALA  58           3HB      ALA  58   1.772   4.422   2.412
  441    H    HIS  59           H        HIS  59   2.869   5.603   4.415
  442    HA   HIS  59           HA       HIS  59   2.538   8.308   3.924
  443    HB2  HIS  59           2HB      HIS  59   1.559   7.056   5.833
  444    HB3  HIS  59           1HB      HIS  59   3.148   6.961   6.572
  445    HD1  HIS  59           1HD      HIS  59   0.950   8.179   8.185
  446    HD2  HIS  59           2HD      HIS  59   3.355  10.428   5.661
  447    HE1  HIS  59           1HE      HIS  59   0.841  10.528   9.074
  448    HE2  HIS  59           2HE      HIS  59   2.400  11.848   7.605
  449    H    GLU  60           H        GLU  60   5.254   6.738   5.644
  450    HA   GLU  60           HA       GLU  60   6.681   9.157   5.945
  451    HB2  GLU  60           2HB      GLU  60   8.598   7.709   6.569
  452    HB3  GLU  60           1HB      GLU  60   7.123   7.351   7.451
  453    HG2  GLU  60           2HG      GLU  60   6.713   5.443   5.990
  454    HG3  GLU  60           1HG      GLU  60   8.210   5.794   5.121
  455    H    ALA  61           H        ALA  61   6.758   6.653   3.455
  456    HA   ALA  61           HA       ALA  61   9.059   7.599   2.104
  457    HB1  ALA  61           1HB      ALA  61   8.104   5.363   1.741
  458    HB2  ALA  61           2HB      ALA  61   8.312   6.247   0.230
  459    HB3  ALA  61           3HB      ALA  61   6.708   6.097   0.953
  460    H    LEU  62           H        LEU  62   5.692   8.475   1.990
  461    HA   LEU  62           HA       LEU  62   5.970  10.157  -0.339
  462    HB2  LEU  62           2HB      LEU  62   3.943   8.899   0.059
  463    HB3  LEU  62           1HB      LEU  62   3.722   9.675   1.603
  464    HG   LEU  62           HG       LEU  62   2.155  10.412  -0.192
  465   HD11  LEU  62          1HD1      LEU  62   2.526  11.823   1.742
  466   HD12  LEU  62          2HD1      LEU  62   2.273  12.789   0.287
  467   HD13  LEU  62          3HD1      LEU  62   3.899  12.585   0.938
  468   HD21  LEU  62          3HD2      LEU  62   3.652  10.365  -2.073
  469   HD22  LEU  62          1HD2      LEU  62   4.614  11.668  -1.375
  470   HD23  LEU  62          2HD2      LEU  62   2.950  11.971  -1.878
  471    H    GLU  63           H        GLU  63   5.681  10.594   3.163
  472    HA   GLU  63           HA       GLU  63   5.418  13.450   2.893
  473    HB2  GLU  63           2HB      GLU  63   4.273  12.216   4.679
  474    HB3  GLU  63           1HB      GLU  63   5.814  11.687   5.330
  475    HG2  GLU  63           2HG      GLU  63   5.282  14.604   5.116
  476    HG3  GLU  63           1HG      GLU  63   4.480  13.681   6.385
  477    H    LYS  64           H        LYS  64   8.045  11.204   3.419
  478    HA   LYS  64           HA       LYS  64   9.861  13.347   4.227
  479    HB2  LYS  64           2HB      LYS  64   9.935  11.025   5.239
  480    HB3  LYS  64           1HB      LYS  64  10.537  10.451   3.693
  481    HG2  LYS  64           2HG      LYS  64  12.479  11.918   3.903
  482    HG3  LYS  64           1HG      LYS  64  11.876  12.490   5.458
  483    HD2  LYS  64           2HD      LYS  64  12.410   9.580   4.920
  484    HD3  LYS  64           1HD      LYS  64  13.674  10.671   5.480
  485    HE2  LYS  64           2HE      LYS  64  12.743   9.511   7.371
  486    HE3  LYS  64           1HE      LYS  64  12.284  11.208   7.455
  487    HZ1  LYS  64           3HZ      LYS  64  10.490   9.139   6.325
  488    HZ2  LYS  64           1HZ      LYS  64  10.093  10.704   6.832
  489    HZ3  LYS  64           2HZ      LYS  64  10.501   9.529   7.972
  490    H    ASN  65           H        ASN  65   8.706  11.842   1.485
  491    HA   ASN  65           HA       ASN  65  10.624  13.223  -0.205
  492    HB2  ASN  65           2HB      ASN  65  11.580  11.005  -0.035
  493    HB3  ASN  65           1HB      ASN  65  10.026  10.255  -0.337
  494   HD21  ASN  65          1HD2      ASN  65   9.405   9.887  -2.351
  495   HD22  ASN  65          2HD2      ASN  65  10.373  10.265  -3.733
  496    HA   PRO  66           HA       PRO  66   6.110  13.379  -1.226
  497    HB2  PRO  66           2HB      PRO  66   5.619  15.959  -0.843
  498    HB3  PRO  66           1HB      PRO  66   5.900  14.896   0.530
  499    HG2  PRO  66           2HG      PRO  66   7.813  16.779  -0.804
  500    HG3  PRO  66           1HG      PRO  66   7.502  16.547   0.927
  501    HD2  PRO  66           2HD      PRO  66   9.582  15.367  -0.443
  502    HD3  PRO  66           1HD      PRO  66   8.871  14.714   1.046
  503    H    LYS  67           H        LYS  67   8.283  13.321  -3.105
  504    HA   LYS  67           HA       LYS  67   7.373  15.252  -5.136
  505    HB2  LYS  67           2HB      LYS  67   9.994  13.782  -4.826
  506    HB3  LYS  67           1HB      LYS  67   9.540  14.599  -6.311
  507    HG2  LYS  67           2HG      LYS  67  10.990  16.028  -5.088
  508    HG3  LYS  67           1HG      LYS  67   9.370  16.718  -5.019
  509    HD2  LYS  67           2HD      LYS  67   9.063  15.962  -2.780
  510    HD3  LYS  67           1HD      LYS  67  10.537  14.998  -2.844
  511    HE2  LYS  67           2HE      LYS  67  10.419  18.003  -3.050
  512    HE3  LYS  67           1HE      LYS  67  10.816  17.104  -1.586
  513    HZ1  LYS  67           3HZ      LYS  67  12.815  17.820  -2.675
  514    HZ2  LYS  67           1HZ      LYS  67  12.349  17.090  -4.128
  515    HZ3  LYS  67           2HZ      LYS  67  12.708  16.137  -2.778
  516    H    ILE  68           H        ILE  68   7.378  11.976  -4.226
  517    HA   ILE  68           HA       ILE  68   7.366  10.914  -6.902
  518    HB   ILE  68           HB       ILE  68   6.766   8.740  -5.734
  519   HG12  ILE  68          2HG1      ILE  68   7.474   8.679  -3.315
  520   HG13  ILE  68          1HG1      ILE  68   7.332  10.427  -3.275
  521   HG21  ILE  68          1HG2      ILE  68   8.932   9.025  -6.533
  522   HG22  ILE  68          2HG2      ILE  68   9.128   8.512  -4.856
  523   HG23  ILE  68          3HG2      ILE  68   9.328  10.210  -5.293
  524   HD11  ILE  68          3HD1      ILE  68   5.146   8.455  -3.842
  525   HD12  ILE  68          1HD1      ILE  68   4.973  10.210  -3.850
  526   HD13  ILE  68          2HD1      ILE  68   5.390   9.371  -2.355
  527    H    ARG  69           H        ARG  69   5.552   8.960  -6.901
  528    HA   ARG  69           HA       ARG  69   2.945  10.253  -6.622
  529    HB2  ARG  69           2HB      ARG  69   2.337   9.897  -8.929
  530    HB3  ARG  69           1HB      ARG  69   3.819  10.838  -8.877
  531    HG2  ARG  69           2HG      ARG  69   5.039   8.626  -9.202
  532    HG3  ARG  69           1HG      ARG  69   3.463   7.958  -9.628
  533    HD2  ARG  69           2HD      ARG  69   4.581   8.602 -11.648
  534    HD3  ARG  69           1HD      ARG  69   3.258   9.731 -11.365
  535    HE   ARG  69           HE       ARG  69   4.830  11.394 -10.763
  536   HH11  ARG  69          1HH1      ARG  69   6.325   8.426 -11.866
  537   HH12  ARG  69          2HH1      ARG  69   7.865   9.161 -12.161
  538   HH21  ARG  69          1HH2      ARG  69   6.851  12.365 -11.162
  539   HH22  ARG  69          2HH2      ARG  69   8.163  11.405 -11.777
  540    H    GLU  70           H        GLU  70   4.909   7.454  -6.784
  541    HA   GLU  70           HA       GLU  70   2.923   5.966  -5.403
  542    HB2  GLU  70           2HB      GLU  70   2.786   4.080  -6.986
  543    HB3  GLU  70           1HB      GLU  70   2.085   5.562  -7.630
  544    HG2  GLU  70           2HG      GLU  70   4.103   5.937  -8.955
  545    HG3  GLU  70           1HG      GLU  70   4.808   4.457  -8.304
  546    H    VAL  71           H        VAL  71   3.764   3.801  -4.760
  547    HA   VAL  71           HA       VAL  71   6.693   3.657  -4.866
  548    HB   VAL  71           HB       VAL  71   6.002   4.755  -2.740
  549   HG11  VAL  71          1HG1      VAL  71   4.661   2.127  -2.186
  550   HG12  VAL  71          2HG1      VAL  71   3.897   3.710  -2.331
  551   HG13  VAL  71          3HG1      VAL  71   4.974   3.371  -0.977
  552   HG21  VAL  71          3HG2      VAL  71   7.278   2.045  -2.415
  553   HG22  VAL  71          1HG2      VAL  71   7.372   3.372  -1.256
  554   HG23  VAL  71          2HG2      VAL  71   8.104   3.540  -2.851
  555    H    TYR  72           H        TYR  72   7.551   1.557  -4.445
  556    HA   TYR  72           HA       TYR  72   5.644  -0.568  -5.149
  557    HB2  TYR  72           2HB      TYR  72   8.634  -0.676  -5.554
  558    HB3  TYR  72           1HB      TYR  72   7.395  -1.656  -6.329
  559    HD1  TYR  72           2HD      TYR  72   5.994  -0.678  -8.139
  560    HD2  TYR  72           1HD      TYR  72   9.229   1.470  -6.399
  561    HE1  TYR  72           2HE      TYR  72   5.976   0.885 -10.042
  562    HE2  TYR  72           1HE      TYR  72   9.216   3.038  -8.289
  563    HH   TYR  72           HH       TYR  72   8.506   3.117 -10.603
  564    H    LEU  73           H        LEU  73   5.187  -1.863  -3.504
  565    HA   LEU  73           HA       LEU  73   7.221  -2.235  -1.405
  566    HB2  LEU  73           2HB      LEU  73   4.248  -1.837  -1.186
  567    HB3  LEU  73           1HB      LEU  73   5.194  -2.512   0.117
  568    HG   LEU  73           HG       LEU  73   5.518   0.248  -1.055
  569   HD11  LEU  73          1HD1      LEU  73   4.710   0.978   1.155
  570   HD12  LEU  73          2HD1      LEU  73   4.416  -0.709   1.586
  571   HD13  LEU  73          3HD1      LEU  73   3.507   0.040   0.272
  572   HD21  LEU  73          3HD2      LEU  73   7.074   0.597   0.830
  573   HD22  LEU  73          1HD2      LEU  73   7.661  -0.600  -0.324
  574   HD23  LEU  73          2HD2      LEU  73   6.965  -1.122   1.209
  575    H    LYS  74           H        LYS  74   7.542  -4.286  -0.640
  576    HA   LYS  74           HA       LYS  74   5.660  -6.343  -1.577
  577    HB2  LYS  74           2HB      LYS  74   7.834  -6.854  -2.484
  578    HB3  LYS  74           1HB      LYS  74   8.590  -6.663  -0.901
  579    HG2  LYS  74           2HG      LYS  74   7.184  -8.532  -0.071
  580    HG3  LYS  74           1HG      LYS  74   6.600  -8.767  -1.712
  581    HD2  LYS  74           2HD      LYS  74   8.720  -9.472  -2.464
  582    HD3  LYS  74           1HD      LYS  74   9.512  -8.891  -0.993
  583    HE2  LYS  74           2HE      LYS  74   7.378 -10.997  -0.935
  584    HE3  LYS  74           1HE      LYS  74   9.083 -11.406  -1.163
  585    HZ1  LYS  74           3HZ      LYS  74   8.326 -11.533   1.170
  586    HZ2  LYS  74           1HZ      LYS  74   8.003  -9.872   1.144
  587    HZ3  LYS  74           2HZ      LYS  74   9.589 -10.428   0.955
  588    HA   PRO  75           HA       PRO  75   4.376  -6.983   2.646
  589    HB2  PRO  75           2HB      PRO  75   3.990  -9.697   1.464
  590    HB3  PRO  75           1HB      PRO  75   2.891  -8.746   2.474
  591    HG2  PRO  75           2HG      PRO  75   2.464  -8.882  -0.118
  592    HG3  PRO  75           1HG      PRO  75   2.306  -7.326   0.716
  593    HD2  PRO  75           2HD      PRO  75   4.530  -8.332  -1.012
  594    HD3  PRO  75           1HD      PRO  75   3.821  -6.713  -0.915
  595    H    ARG  76           H        ARG  76   5.003  -8.183   4.424
  596    HA   ARG  76           HA       ARG  76   7.805  -8.325   4.607
  597    HB2  ARG  76           2HB      ARG  76   5.970  -9.518   6.649
  598    HB3  ARG  76           1HB      ARG  76   7.483  -8.661   6.898
  599    HG2  ARG  76           2HG      ARG  76   6.451  -6.558   6.320
  600    HG3  ARG  76           1HG      ARG  76   4.939  -7.373   5.926
  601    HD2  ARG  76           2HD      ARG  76   6.234  -7.210   8.645
  602    HD3  ARG  76           1HD      ARG  76   4.798  -6.331   8.110
  603    HE   ARG  76           HE       ARG  76   4.672  -9.244   8.019
  604   HH11  ARG  76          1HH1      ARG  76   3.879  -6.289   9.714
  605   HH12  ARG  76          2HH1      ARG  76   2.650  -7.022  10.692
  606   HH21  ARG  76          1HH2      ARG  76   3.040 -10.226   9.310
  607   HH22  ARG  76          2HH2      ARG  76   2.170  -9.263  10.460
  608    H    ALA  77           H        ALA  77   5.325 -10.771   4.254
  609    HA   ALA  77           HA       ALA  77   6.863 -12.971   5.128
  610    HB1  ALA  77           1HB      ALA  77   5.165 -14.357   4.058
  611    HB2  ALA  77           2HB      ALA  77   4.507 -12.933   3.251
  612    HB3  ALA  77           3HB      ALA  77   4.435 -13.065   5.009
  613    H    VAL  78           H        VAL  78   8.667 -13.526   4.279
  614    HA   VAL  78           HA       VAL  78   9.502 -13.240   1.609
  615    HB   VAL  78           HB       VAL  78  10.379 -15.319   3.625
  616   HG11  VAL  78          1HG1      VAL  78  11.799 -14.253   1.190
  617   HG12  VAL  78          2HG1      VAL  78  11.077 -15.853   1.349
  618   HG13  VAL  78          3HG1      VAL  78  12.456 -15.405   2.353
  619   HG21  VAL  78          3HG2      VAL  78  10.606 -13.085   4.534
  620   HG22  VAL  78          1HG2      VAL  78  11.451 -12.554   3.080
  621   HG23  VAL  78          2HG2      VAL  78  12.195 -13.743   4.147
  622    H    LYS  79           H        LYS  79   7.665 -15.674   3.278
  623    HA   LYS  79           HA       LYS  79   7.823 -17.750   1.385
  624    HB2  LYS  79           2HB      LYS  79   7.137 -18.126   3.691
  625    HB3  LYS  79           1HB      LYS  79   5.703 -17.139   3.450
  626    HG2  LYS  79           2HG      LYS  79   4.834 -18.758   1.858
  627    HG3  LYS  79           1HG      LYS  79   6.287 -19.739   2.047
  628    HD2  LYS  79           2HD      LYS  79   4.369 -19.058   4.272
  629    HD3  LYS  79           1HD      LYS  79   4.358 -20.569   3.366
  630    HE2  LYS  79           2HE      LYS  79   6.589 -19.519   5.102
  631    HE3  LYS  79           1HE      LYS  79   5.524 -20.873   5.464
  632    HZ1  LYS  79           3HZ      LYS  79   7.521 -20.744   3.268
  633    HZ2  LYS  79           1HZ      LYS  79   6.441 -22.023   3.514
  634    HZ3  LYS  79           2HZ      LYS  79   7.624 -21.682   4.669
  635    H    ASN  80           H        ASN  80   5.883 -14.861   1.491
  636    HA   ASN  80           HA       ASN  80   3.772 -15.739  -0.169
  637    HB2  ASN  80           2HB      ASN  80   4.850 -13.009   0.463
  638    HB3  ASN  80           1HB      ASN  80   3.558 -13.235  -0.709
  639   HD21  ASN  80          1HD2      ASN  80   3.343 -11.752   1.675
  640   HD22  ASN  80          2HD2      ASN  80   2.183 -12.544   2.671
  641    H    SER  81           H        SER  81   6.969 -14.551  -0.822
  642    HA   SER  81           HA       SER  81   8.290 -14.693  -2.633
  643    HB2  SER  81           2HB      SER  81   7.490 -16.977  -2.829
  644    HB3  SER  81           1HB      SER  81   6.070 -16.439  -3.717
  645    HG   SER  81           HG       SER  81   8.770 -16.161  -4.571
  646    H    SER  82           H        SER  82   5.203 -14.732  -4.433
  647    HA   SER  82           HA       SER  82   6.311 -12.480  -5.961
  648    HB2  SER  82           2HB      SER  82   6.073 -14.669  -7.126
  649    HB3  SER  82           1HB      SER  82   4.332 -14.563  -6.892
  650    HG   SER  82           HG       SER  82   4.495 -12.507  -8.048
  651    H    VAL  83           H        VAL  83   4.727 -12.030  -3.598
  652    HA   VAL  83           HA       VAL  83   2.331 -10.836  -4.801
  653    HB   VAL  83           HB       VAL  83   1.967 -12.114  -2.715
  654   HG11  VAL  83          1HG1      VAL  83   2.795 -11.322  -0.585
  655   HG12  VAL  83          2HG1      VAL  83   3.658 -10.010  -1.390
  656   HG13  VAL  83          3HG1      VAL  83   4.144 -11.677  -1.669
  657   HG21  VAL  83          3HG2      VAL  83   1.508  -9.149  -2.431
  658   HG22  VAL  83          1HG2      VAL  83   0.684 -10.406  -1.510
  659   HG23  VAL  83          2HG2      VAL  83   0.452 -10.295  -3.253
  660    H    GLN  84           H        GLN  84   2.223  -8.689  -5.168
  661    HA   GLN  84           HA       GLN  84   4.347  -7.010  -4.017
  662    HB2  GLN  84           2HB      GLN  84   3.388  -6.961  -6.882
  663    HB3  GLN  84           1HB      GLN  84   4.533  -5.833  -6.173
  664    HG2  GLN  84           2HG      GLN  84   6.101  -7.646  -5.774
  665    HG3  GLN  84           1HG      GLN  84   4.952  -8.800  -6.451
  666   HE21  GLN  84          1HE2      GLN  84   6.335  -9.435  -8.067
  667   HE22  GLN  84          2HE2      GLN  84   6.721  -8.426  -9.409
  668    H    PHE  85           H        PHE  85   3.711  -5.068  -3.296
  669    HA   PHE  85           HA       PHE  85   0.888  -4.384  -3.683
  670    HB2  PHE  85           2HB      PHE  85   2.826  -3.688  -1.476
  671    HB3  PHE  85           1HB      PHE  85   1.295  -2.848  -1.684
  672    HD1  PHE  85           2HD      PHE  85   0.805  -6.188  -2.649
  673    HD2  PHE  85           1HD      PHE  85   1.281  -3.745   0.803
  674    HE1  PHE  85           2HE      PHE  85  -0.331  -7.892  -1.290
  675    HE2  PHE  85           1HE      PHE  85   0.148  -5.444   2.166
  676    HZ   PHE  85           HZ       PHE  85  -0.660  -7.524   1.125
  677    H    HIS  86           H        HIS  86   0.409  -2.740  -4.917
  678    HA   HIS  86           HA       HIS  86   2.539  -0.837  -5.612
  679    HB2  HIS  86           2HB      HIS  86  -0.091  -1.449  -6.992
  680    HB3  HIS  86           1HB      HIS  86   1.023  -0.185  -7.495
  681    HD1  HIS  86           1HD      HIS  86   2.278  -0.893  -9.475
  682    HD2  HIS  86           2HD      HIS  86   1.551  -4.081  -6.912
  683    HE1  HIS  86           1HE      HIS  86   3.329  -2.895 -10.571
  684    HE2  HIS  86           2HE      HIS  86   2.694  -4.852  -9.103
  685    H    VAL  87           H        VAL  87   2.473   0.755  -4.076
  686    HA   VAL  87           HA       VAL  87  -0.169   1.771  -3.335
  687    HB   VAL  87           HB       VAL  87   2.576   2.280  -2.190
  688   HG11  VAL  87          1HG1      VAL  87   1.510   3.806  -0.596
  689   HG12  VAL  87          2HG1      VAL  87  -0.010   3.661  -1.477
  690   HG13  VAL  87          3HG1      VAL  87   1.390   4.407  -2.248
  691   HG21  VAL  87          3HG2      VAL  87   1.590   1.387  -0.147
  692   HG22  VAL  87          1HG2      VAL  87   1.444   0.231  -1.471
  693   HG23  VAL  87          2HG2      VAL  87   0.044   1.183  -0.972
  694    H    ILE  88           H        ILE  88  -0.964   3.203  -4.621
  695    HA   ILE  88           HA       ILE  88   0.838   4.978  -6.097
  696    HB   ILE  88           HB       ILE  88  -2.051   4.246  -6.608
  697   HG12  ILE  88          2HG1      ILE  88   0.450   3.551  -8.167
  698   HG13  ILE  88          1HG1      ILE  88  -0.356   2.461  -7.039
  699   HG21  ILE  88          1HG2      ILE  88  -1.594   6.518  -7.334
  700   HG22  ILE  88          2HG2      ILE  88  -1.785   5.454  -8.727
  701   HG23  ILE  88          3HG2      ILE  88  -0.175   5.965  -8.223
  702   HD11  ILE  88          3HD1      ILE  88  -1.570   3.588  -9.551
  703   HD12  ILE  88          1HD1      ILE  88  -2.352   2.472  -8.431
  704   HD13  ILE  88          2HD1      ILE  88  -0.936   1.956  -9.348
  705    H    PHE  89           H        PHE  89   0.605   7.169  -5.968
  706    HA   PHE  89           HA       PHE  89  -1.022   8.055  -3.711
  707    HB2  PHE  89           2HB      PHE  89   1.421   9.242  -5.021
  708    HB3  PHE  89           1HB      PHE  89   0.474  10.074  -3.795
  709    HD1  PHE  89           2HD      PHE  89   0.092   8.929  -1.595
  710    HD2  PHE  89           1HD      PHE  89   3.026   7.662  -4.390
  711    HE1  PHE  89           2HE      PHE  89   1.217   7.655   0.176
  712    HE2  PHE  89           1HE      PHE  89   4.149   6.365  -2.629
  713    HZ   PHE  89           HZ       PHE  89   3.230   6.370  -0.353
  714    H    ASP  90           H        ASP  90  -2.897   8.855  -4.256
  715    HA   ASP  90           HA       ASP  90  -3.420   9.516  -7.024
  716    HB2  ASP  90           2HB      ASP  90  -4.894   8.089  -5.449
  717    HB3  ASP  90           1HB      ASP  90  -5.440   9.631  -4.805
  718    H    GLU  91           H        GLU  91  -3.838  11.485  -7.838
  719    HA   GLU  91           HA       GLU  91  -3.561  13.768  -6.059
  720    HB2  GLU  91           2HB      GLU  91  -3.601  15.070  -8.232
  721    HB3  GLU  91           1HB      GLU  91  -2.249  13.965  -8.027
  722    HG2  GLU  91           2HG      GLU  91  -3.279  12.361  -9.494
  723    HG3  GLU  91           1HG      GLU  91  -4.732  13.349  -9.612
  724    H    GLU  92           H        GLU  92  -5.302  14.527  -5.123
  725    HA   GLU  92           HA       GLU  92  -7.673  15.112  -6.627
  726    HB2  GLU  92           2HB      GLU  92  -9.182  13.847  -5.082
  727    HB3  GLU  92           1HB      GLU  92  -8.200  12.828  -6.123
  728    HG2  GLU  92           2HG      GLU  92  -7.795  11.702  -4.237
  729    HG3  GLU  92           1HG      GLU  92  -6.619  12.983  -3.949
  Start of MODEL    9
    1    H1   GLY   1           1HT      GLY   1   8.179 -14.443 -16.986
    2    H2   GLY   1           2HT      GLY   1   9.133 -15.796 -17.329
    3    H3   GLY   1           3HT      GLY   1   7.465 -15.848 -17.596
    4    HA2  GLY   1           1HA      GLY   1   7.653 -14.172 -19.319
    5    HA3  GLY   1           2HA      GLY   1   9.387 -14.111 -19.038
    6    H    SER   2           H        SER   2  10.226 -14.921 -20.884
    7    HA   SER   2           HA       SER   2   8.986 -17.061 -22.320
    8    HB2  SER   2           2HB      SER   2  11.743 -15.863 -22.662
    9    HB3  SER   2           1HB      SER   2  10.894 -16.873 -23.833
   10    HG   SER   2           HG       SER   2  10.780 -14.531 -24.166
   11    H    ALA   3           H        ALA   3  11.499 -16.804 -19.930
   12    HA   ALA   3           HA       ALA   3  12.508 -19.473 -20.446
   13    HB1  ALA   3           1HB      ALA   3  13.270 -17.514 -18.282
   14    HB2  ALA   3           2HB      ALA   3  14.061 -17.667 -19.851
   15    HB3  ALA   3           3HB      ALA   3  14.125 -19.000 -18.697
   16    H    MET   4           H        MET   4  10.145 -20.095 -20.011
   17    HA   MET   4           HA       MET   4   8.582 -21.187 -18.807
   18    HB2  MET   4           2HB      MET   4   9.337 -22.937 -17.381
   19    HB3  MET   4           1HB      MET   4  10.518 -22.762 -18.666
   20    HG2  MET   4           2HG      MET   4  11.981 -21.522 -17.138
   21    HG3  MET   4           1HG      MET   4  10.796 -21.732 -15.851
   22    HE1  MET   4           3HE      MET   4   9.775 -24.706 -16.306
   23    HE2  MET   4           1HE      MET   4  10.204 -24.027 -14.736
   24    HE3  MET   4           2HE      MET   4  10.875 -25.577 -15.240
   25    H    GLY   5           H        GLY   5   8.078 -21.830 -16.254
   26    HA2  GLY   5           2HA      GLY   5   8.055 -20.961 -14.025
   27    HA3  GLY   5           1HA      GLY   5   8.409 -19.371 -14.683
   28    H    HIS   6           H        HIS   6   6.099 -21.091 -13.226
   29    HA   HIS   6           HA       HIS   6   3.977 -19.419 -14.409
   30    HB2  HIS   6           2HB      HIS   6   3.743 -22.109 -13.039
   31    HB3  HIS   6           1HB      HIS   6   2.365 -21.086 -13.418
   32    HD1  HIS   6           1HD      HIS   6   4.629 -23.588 -14.868
   33    HD2  HIS   6           2HD      HIS   6   1.904 -20.769 -16.251
   34    HE1  HIS   6           1HE      HIS   6   4.134 -24.234 -17.251
   35    HE2  HIS   6           2HE      HIS   6   2.393 -22.586 -18.026
   36    H    MET   7           H        MET   7   4.109 -17.652 -13.141
   37    HA   MET   7           HA       MET   7   4.444 -18.029 -10.251
   38    HB2  MET   7           2HB      MET   7   6.104 -16.628 -11.418
   39    HB3  MET   7           1HB      MET   7   4.817 -15.552 -11.944
   40    HG2  MET   7           2HG      MET   7   4.342 -14.966  -9.632
   41    HG3  MET   7           1HG      MET   7   5.607 -16.068  -9.086
   42    HE1  MET   7           3HE      MET   7   7.165 -12.539  -8.372
   43    HE2  MET   7           1HE      MET   7   6.702 -14.095  -7.683
   44    HE3  MET   7           2HE      MET   7   5.461 -12.975  -8.241
   45    HA   PRO   8           HA       PRO   8   0.131 -16.721 -10.035
   46    HB2  PRO   8           2HB      PRO   8  -0.335 -17.676  -7.570
   47    HB3  PRO   8           1HB      PRO   8  -0.237 -18.747  -8.971
   48    HG2  PRO   8           2HG      PRO   8   1.805 -18.190  -6.864
   49    HG3  PRO   8           1HG      PRO   8   1.389 -19.725  -7.644
   50    HD2  PRO   8           2HD      PRO   8   3.550 -18.149  -8.328
   51    HD3  PRO   8           1HD      PRO   8   2.790 -19.340  -9.402
   52    H    ALA   9           H        ALA   9   1.327 -14.558 -10.026
   53    HA   ALA   9           HA       ALA   9   2.007 -13.497  -7.424
   54    HB1  ALA   9           1HB      ALA   9   2.789 -11.551  -8.621
   55    HB2  ALA   9           2HB      ALA   9   2.044 -12.136 -10.109
   56    HB3  ALA   9           3HB      ALA   9   3.395 -13.014  -9.396
   57    H    VAL  10           H        VAL  10   0.600 -12.641  -6.140
   58    HA   VAL  10           HA       VAL  10  -1.871 -11.472  -7.157
   59    HB   VAL  10           HB       VAL  10  -0.891 -11.910  -4.327
   60   HG11  VAL  10          1HG1      VAL  10  -3.169 -11.326  -3.631
   61   HG12  VAL  10          2HG1      VAL  10  -3.567 -10.921  -5.301
   62   HG13  VAL  10          3HG1      VAL  10  -2.360  -9.977  -4.429
   63   HG21  VAL  10          3HG2      VAL  10  -2.612 -13.647  -4.237
   64   HG22  VAL  10          1HG2      VAL  10  -1.422 -13.983  -5.494
   65   HG23  VAL  10          2HG2      VAL  10  -3.007 -13.344  -5.928
   66    H    ASP  11           H        ASP  11  -1.967  -9.368  -7.599
   67    HA   ASP  11           HA       ASP  11   0.024  -7.610  -6.325
   68    HB2  ASP  11           2HB      ASP  11   0.281  -8.044  -8.822
   69    HB3  ASP  11           1HB      ASP  11  -1.218  -7.146  -9.036
   70    H    VAL  12           H        VAL  12  -0.827  -6.177  -5.009
   71    HA   VAL  12           HA       VAL  12  -3.687  -5.534  -5.273
   72    HB   VAL  12           HB       VAL  12  -1.865  -5.211  -2.878
   73   HG11  VAL  12          1HG1      VAL  12  -3.642  -3.570  -2.856
   74   HG12  VAL  12          2HG1      VAL  12  -3.948  -4.802  -1.631
   75   HG13  VAL  12          3HG1      VAL  12  -4.842  -4.827  -3.151
   76   HG21  VAL  12          3HG2      VAL  12  -3.128  -7.081  -1.917
   77   HG22  VAL  12          1HG2      VAL  12  -2.271  -7.556  -3.383
   78   HG23  VAL  12          2HG2      VAL  12  -4.008  -7.261  -3.436
   79    H    GLU  13           H        GLU  13  -4.317  -3.491  -5.733
   80    HA   GLU  13           HA       GLU  13  -2.193  -1.471  -5.892
   81    HB2  GLU  13           2HB      GLU  13  -3.562  -0.351  -7.604
   82    HB3  GLU  13           1HB      GLU  13  -3.142  -1.991  -8.070
   83    HG2  GLU  13           2HG      GLU  13  -5.381  -2.735  -7.375
   84    HG3  GLU  13           1HG      GLU  13  -5.793  -1.068  -6.989
   85    H    ILE  14           H        ILE  14  -2.238   0.016  -4.406
   86    HA   ILE  14           HA       ILE  14  -4.814   0.722  -3.140
   87    HB   ILE  14           HB       ILE  14  -2.058   0.956  -1.906
   88   HG12  ILE  14          2HG1      ILE  14  -4.174  -1.177  -1.495
   89   HG13  ILE  14          1HG1      ILE  14  -2.621  -1.411  -2.286
   90   HG21  ILE  14          1HG2      ILE  14  -3.309   1.251   0.182
   91   HG22  ILE  14          2HG2      ILE  14  -4.822   1.173  -0.722
   92   HG23  ILE  14          3HG2      ILE  14  -3.694   2.501  -1.000
   93   HD11  ILE  14          3HD1      ILE  14  -3.053  -0.711   0.611
   94   HD12  ILE  14          1HD1      ILE  14  -1.484  -0.921  -0.172
   95   HD13  ILE  14          2HD1      ILE  14  -2.590  -2.288  -0.029
   96    H    HIS  15           H        HIS  15  -5.368   2.888  -3.156
   97    HA   HIS  15           HA       HIS  15  -3.374   4.702  -4.355
   98    HB2  HIS  15           2HB      HIS  15  -6.365   4.688  -4.816
   99    HB3  HIS  15           1HB      HIS  15  -5.244   5.875  -5.469
  100    HD1  HIS  15           1HD      HIS  15  -6.580   2.468  -6.032
  101    HD2  HIS  15           2HD      HIS  15  -3.565   4.895  -7.542
  102    HE1  HIS  15           1HE      HIS  15  -5.833   1.367  -8.165
  103    HE2  HIS  15           2HE      HIS  15  -4.096   2.918  -9.126
  104    H    PHE  16           H        PHE  16  -2.722   6.000  -2.788
  105    HA   PHE  16           HA       PHE  16  -4.632   6.864  -0.743
  106    HB2  PHE  16           2HB      PHE  16  -1.616   7.046  -0.873
  107    HB3  PHE  16           1HB      PHE  16  -2.586   7.729   0.422
  108    HD1  PHE  16           1HD      PHE  16  -4.486   5.725   1.107
  109    HD2  PHE  16           2HD      PHE  16  -0.438   5.253  -0.102
  110    HE1  PHE  16           1HE      PHE  16  -4.370   3.603   2.343
  111    HE2  PHE  16           2HE      PHE  16  -0.316   3.125   1.126
  112    HZ   PHE  16           HZ       PHE  16  -2.283   2.299   2.351
  113    HA   PRO  17           HA       PRO  17  -4.788  10.860  -2.740
  114    HB2  PRO  17           2HB      PRO  17  -5.843  11.882  -0.220
  115    HB3  PRO  17           1HB      PRO  17  -6.637  11.767  -1.787
  116    HG2  PRO  17           2HG      PRO  17  -7.309  10.224   0.348
  117    HG3  PRO  17           1HG      PRO  17  -7.526   9.717  -1.336
  118    HD2  PRO  17           2HD      PRO  17  -5.429   8.928   0.630
  119    HD3  PRO  17           1HD      PRO  17  -6.199   7.971  -0.651
  120    H    LEU  18           H        LEU  18  -3.108  12.134  -2.903
  121    HA   LEU  18           HA       LEU  18  -0.819  11.689  -1.430
  122    HB2  LEU  18           2HB      LEU  18  -1.082  12.591  -3.778
  123    HB3  LEU  18           1HB      LEU  18  -1.353  14.164  -3.057
  124    HG   LEU  18           HG       LEU  18   1.148  12.667  -2.383
  125   HD11  LEU  18          1HD1      LEU  18   1.011  12.537  -4.804
  126   HD12  LEU  18          2HD1      LEU  18   2.253  13.688  -4.318
  127   HD13  LEU  18          3HD1      LEU  18   0.691  14.268  -4.897
  128   HD21  LEU  18          3HD2      LEU  18   0.630  14.743  -1.194
  129   HD22  LEU  18          1HD2      LEU  18   0.517  15.598  -2.733
  130   HD23  LEU  18          2HD2      LEU  18   2.060  14.923  -2.210
  131    H    LYS  19           H        LYS  19  -3.134  14.352  -1.075
  132    HA   LYS  19           HA       LYS  19  -1.423  15.690   0.832
  133    HB2  LYS  19           2HB      LYS  19  -4.176  16.287  -0.226
  134    HB3  LYS  19           1HB      LYS  19  -3.474  17.199   1.105
  135    HG2  LYS  19           2HG      LYS  19  -1.540  17.739  -0.357
  136    HG3  LYS  19           1HG      LYS  19  -2.374  16.938  -1.686
  137    HD2  LYS  19           2HD      LYS  19  -3.792  19.096  -0.201
  138    HD3  LYS  19           1HD      LYS  19  -2.525  19.549  -1.337
  139    HE2  LYS  19           2HE      LYS  19  -4.289  19.576  -2.755
  140    HE3  LYS  19           1HE      LYS  19  -3.850  17.881  -2.905
  141    HZ1  LYS  19           3HZ      LYS  19  -6.213  18.118  -2.613
  142    HZ2  LYS  19           1HZ      LYS  19  -5.996  18.986  -1.174
  143    HZ3  LYS  19           2HZ      LYS  19  -5.560  17.350  -1.250
  144    H    ARG  20           H        ARG  20  -3.991  13.383   0.934
  145    HA   ARG  20           HA       ARG  20  -4.570  13.819   3.730
  146    HB2  ARG  20           2HB      ARG  20  -5.563  12.051   1.606
  147    HB3  ARG  20           1HB      ARG  20  -5.561  11.337   3.207
  148    HG2  ARG  20           2HG      ARG  20  -7.690  12.291   2.870
  149    HG3  ARG  20           1HG      ARG  20  -6.829  13.328   4.006
  150    HD2  ARG  20           2HD      ARG  20  -6.346  14.915   2.245
  151    HD3  ARG  20           1HD      ARG  20  -7.076  13.844   1.048
  152    HE   ARG  20           HE       ARG  20  -8.867  14.527   3.176
  153   HH11  ARG  20          1HH1      ARG  20  -7.565  15.678   0.119
  154   HH12  ARG  20          2HH1      ARG  20  -8.977  16.631  -0.240
  155   HH21  ARG  20          1HH2      ARG  20 -10.697  15.789   2.683
  156   HH22  ARG  20          2HH2      ARG  20 -10.741  16.695   1.204
  157    H    ILE  21           H        ILE  21  -2.612  11.563   1.837
  158    HA   ILE  21           HA       ILE  21  -2.048   9.840   4.041
  159    HB   ILE  21           HB       ILE  21  -1.860   9.071   1.716
  160   HG12  ILE  21          2HG1      ILE  21   0.200   7.780   1.967
  161   HG13  ILE  21          1HG1      ILE  21   0.780   8.905   3.188
  162   HG21  ILE  21          1HG2      ILE  21  -0.947  11.052   0.674
  163   HG22  ILE  21          2HG2      ILE  21   0.116   9.679   0.368
  164   HG23  ILE  21          3HG2      ILE  21   0.549  10.877   1.588
  165   HD11  ILE  21          3HD1      ILE  21  -0.981   8.222   4.691
  166   HD12  ILE  21          1HD1      ILE  21  -0.069   6.816   4.141
  167   HD13  ILE  21          2HD1      ILE  21  -1.657   7.161   3.454
  168    H    ALA  22           H        ALA  22  -0.673  12.791   2.838
  169    HA   ALA  22           HA       ALA  22   1.779  12.666   4.272
  170    HB1  ALA  22           1HB      ALA  22   0.258  15.085   3.300
  171    HB2  ALA  22           2HB      ALA  22   1.438  14.166   2.362
  172    HB3  ALA  22           3HB      ALA  22   1.949  15.049   3.799
  173    H    ALA  23           H        ALA  23  -1.474  13.508   5.077
  174    HA   ALA  23           HA       ALA  23  -0.862  15.072   7.405
  175    HB1  ALA  23           1HB      ALA  23  -3.280  14.988   7.811
  176    HB2  ALA  23           2HB      ALA  23  -3.456  13.804   6.517
  177    HB3  ALA  23           3HB      ALA  23  -2.920  15.444   6.147
  178    H    GLU  24           H        GLU  24  -1.497  14.463   9.580
  179    HA   GLU  24           HA       GLU  24  -0.626  11.764  10.175
  180    HB2  GLU  24           2HB      GLU  24  -1.354  14.025  12.042
  181    HB3  GLU  24           1HB      GLU  24  -0.590  12.511  12.509
  182    HG2  GLU  24           2HG      GLU  24   1.331  13.103  11.054
  183    HG3  GLU  24           1HG      GLU  24   0.578  14.672  10.773
  184    H    GLY  25           H        GLY  25  -3.536  13.580  10.004
  185    HA2  GLY  25           2HA      GLY  25  -5.074  11.574  11.460
  186    HA3  GLY  25           1HA      GLY  25  -5.703  13.047  10.735
  187    H    TYR  26           H        TYR  26  -3.691  10.581   9.246
  188    HA   TYR  26           HA       TYR  26  -5.212  10.583   6.869
  189    HB2  TYR  26           2HB      TYR  26  -3.755   8.616   6.248
  190    HB3  TYR  26           1HB      TYR  26  -2.891  10.079   6.700
  191    HD1  TYR  26           1HD      TYR  26  -3.797   6.673   7.800
  192    HD2  TYR  26           2HD      TYR  26  -1.475  10.135   8.623
  193    HE1  TYR  26           1HE      TYR  26  -2.498   5.404   9.455
  194    HE2  TYR  26           2HE      TYR  26  -0.171   8.876  10.280
  195    HH   TYR  26           HH       TYR  26  -0.319   5.480  10.539
  196    H    ALA  27           H        ALA  27  -5.219   8.483   9.694
  197    HA   ALA  27           HA       ALA  27  -6.715   6.377   8.509
  198    HB1  ALA  27           1HB      ALA  27  -6.990   5.536  10.764
  199    HB2  ALA  27           2HB      ALA  27  -6.453   7.078  11.428
  200    HB3  ALA  27           3HB      ALA  27  -5.329   6.072  10.515
  201    H    GLU  28           H        GLU  28  -7.580   9.477   9.376
  202    HA   GLU  28           HA       GLU  28 -10.347   8.810   9.999
  203    HB2  GLU  28           2HB      GLU  28  -8.882  11.454   9.935
  204    HB3  GLU  28           1HB      GLU  28 -10.571  11.255  10.389
  205    HG2  GLU  28           2HG      GLU  28 -10.013  10.035  12.326
  206    HG3  GLU  28           1HG      GLU  28  -8.345   9.821  11.799
  207    H    ASP  29           H        ASP  29  -8.527   9.204   7.271
  208    HA   ASP  29           HA       ASP  29 -10.452  10.729   5.743
  209    HB2  ASP  29           2HB      ASP  29  -8.145  10.982   5.098
  210    HB3  ASP  29           1HB      ASP  29  -7.971   9.240   4.875
  211    H    GLU  30           H        GLU  30 -12.081   9.978   4.617
  212    HA   GLU  30           HA       GLU  30 -13.072   7.412   5.253
  213    HB2  GLU  30           2HB      GLU  30 -14.342   9.596   4.698
  214    HB3  GLU  30           1HB      GLU  30 -14.117   9.127   3.016
  215    HG2  GLU  30           2HG      GLU  30 -16.281   8.413   3.732
  216    HG3  GLU  30           1HG      GLU  30 -15.264   6.991   3.504
  217    H    LEU  31           H        LEU  31 -11.279   8.671   2.575
  218    HA   LEU  31           HA       LEU  31 -11.970   6.572   0.765
  219    HB2  LEU  31           2HB      LEU  31 -11.368   8.923   0.123
  220    HB3  LEU  31           1HB      LEU  31  -9.725   8.585   0.631
  221    HG   LEU  31           HG       LEU  31 -10.290   8.500  -1.880
  222   HD11  LEU  31          1HD1      LEU  31  -8.887   6.193  -0.569
  223   HD12  LEU  31          2HD1      LEU  31  -8.191   7.779  -0.889
  224   HD13  LEU  31          3HD1      LEU  31  -8.664   6.737  -2.232
  225   HD21  LEU  31          3HD2      LEU  31 -11.313   5.786  -1.048
  226   HD22  LEU  31          1HD2      LEU  31 -11.081   6.353  -2.701
  227   HD23  LEU  31          2HD2      LEU  31 -12.299   7.106  -1.673
  228    H    LEU  32           H        LEU  32  -9.370   7.373   2.978
  229    HA   LEU  32           HA       LEU  32  -7.602   5.272   2.334
  230    HB2  LEU  32           2HB      LEU  32  -7.596   7.460   3.922
  231    HB3  LEU  32           1HB      LEU  32  -7.747   6.195   5.121
  232    HG   LEU  32           HG       LEU  32  -5.716   5.226   3.646
  233   HD11  LEU  32          1HD1      LEU  32  -5.419   8.216   3.549
  234   HD12  LEU  32          2HD1      LEU  32  -5.679   7.155   2.164
  235   HD13  LEU  32          3HD1      LEU  32  -4.187   7.036   3.097
  236   HD21  LEU  32          3HD2      LEU  32  -5.718   5.453   6.058
  237   HD22  LEU  32          1HD2      LEU  32  -5.489   7.194   5.906
  238   HD23  LEU  32          2HD2      LEU  32  -4.219   6.090   5.379
  239    H    LEU  33           H        LEU  33 -10.292   5.621   4.550
  240    HA   LEU  33           HA       LEU  33  -9.914   3.215   5.976
  241    HB2  LEU  33           2HB      LEU  33 -11.352   5.362   6.440
  242    HB3  LEU  33           1HB      LEU  33 -12.602   4.453   5.618
  243    HG   LEU  33           HG       LEU  33 -12.701   4.290   8.085
  244   HD11  LEU  33          1HD1      LEU  33 -12.999   1.876   8.217
  245   HD12  LEU  33          2HD1      LEU  33 -12.124   1.685   6.697
  246   HD13  LEU  33          3HD1      LEU  33 -13.674   2.526   6.723
  247   HD21  LEU  33          3HD2      LEU  33 -10.149   2.722   7.846
  248   HD22  LEU  33          1HD2      LEU  33 -11.066   3.045   9.315
  249   HD23  LEU  33          2HD2      LEU  33 -10.265   4.368   8.469
  250    H    ASN  34           H        ASN  34 -12.095   4.041   3.252
  251    HA   ASN  34           HA       ASN  34 -13.199   1.402   3.264
  252    HB2  ASN  34           2HB      ASN  34 -14.621   2.049   1.531
  253    HB3  ASN  34           1HB      ASN  34 -14.367   3.539   2.424
  254   HD21  ASN  34          1HD2      ASN  34 -13.369   5.242   1.438
  255   HD22  ASN  34          2HD2      ASN  34 -12.945   5.242  -0.242
  256    H    GLN  35           H        GLN  35 -10.617   2.977   1.465
  257    HA   GLN  35           HA       GLN  35 -10.391   0.926  -0.481
  258    HB2  GLN  35           2HB      GLN  35  -8.600   2.097  -1.312
  259    HB3  GLN  35           1HB      GLN  35  -9.374   3.370  -0.376
  260    HG2  GLN  35           2HG      GLN  35  -7.816   2.895   1.473
  261    HG3  GLN  35           1HG      GLN  35  -6.987   1.744   0.430
  262   HE21  GLN  35          1HE2      GLN  35  -7.858   5.091   0.837
  263   HE22  GLN  35          2HE2      GLN  35  -6.608   5.744  -0.154
  264    H    MET  36           H        MET  36  -8.856   1.478   2.666
  265    HA   MET  36           HA       MET  36  -7.386  -1.019   2.420
  266    HB2  MET  36           2HB      MET  36  -7.431   1.053   4.615
  267    HB3  MET  36           1HB      MET  36  -6.466  -0.420   4.656
  268    HG2  MET  36           2HG      MET  36  -6.216   1.902   2.771
  269    HG3  MET  36           1HG      MET  36  -5.037   1.313   3.940
  270    HE1  MET  36           3HE      MET  36  -3.617  -0.957   3.612
  271    HE2  MET  36           1HE      MET  36  -3.957  -2.103   2.318
  272    HE3  MET  36           2HE      MET  36  -5.164  -1.800   3.568
  273    H    GLY  37           H        GLY  37 -10.469  -0.233   3.234
  274    HA2  GLY  37           2HA      GLY  37 -10.747  -2.550   4.990
  275    HA3  GLY  37           1HA      GLY  37 -12.050  -1.521   4.405
  276    H    LYS  38           H        LYS  38 -11.034  -1.632   1.663
  277    HA   LYS  38           HA       LYS  38 -12.422  -3.980   0.778
  278    HB2  LYS  38           2HB      LYS  38 -10.892  -1.832  -0.669
  279    HB3  LYS  38           1HB      LYS  38 -11.688  -3.162  -1.501
  280    HG2  LYS  38           2HG      LYS  38 -13.842  -2.441  -0.626
  281    HG3  LYS  38           1HG      LYS  38 -13.055  -1.122   0.244
  282    HD2  LYS  38           2HD      LYS  38 -12.293  -0.171  -1.871
  283    HD3  LYS  38           1HD      LYS  38 -13.051  -1.499  -2.749
  284    HE2  LYS  38           2HE      LYS  38 -14.486   0.512  -1.022
  285    HE3  LYS  38           1HE      LYS  38 -14.424   0.533  -2.784
  286    HZ1  LYS  38           3HZ      LYS  38 -15.644  -1.589  -1.104
  287    HZ2  LYS  38           1HZ      LYS  38 -15.542  -1.625  -2.792
  288    HZ3  LYS  38           2HZ      LYS  38 -16.476  -0.443  -2.027
  289    H    VAL  39           H        VAL  39  -9.172  -2.836  -0.172
  290    HA   VAL  39           HA       VAL  39  -8.533  -5.548  -0.996
  291    HB   VAL  39           HB       VAL  39  -6.402  -4.530  -1.835
  292   HG11  VAL  39          1HG1      VAL  39  -8.968  -3.243  -2.764
  293   HG12  VAL  39          2HG1      VAL  39  -8.326  -4.798  -3.297
  294   HG13  VAL  39          3HG1      VAL  39  -7.464  -3.309  -3.681
  295   HG21  VAL  39          3HG2      VAL  39  -6.224  -2.662  -0.280
  296   HG22  VAL  39          1HG2      VAL  39  -7.694  -1.950  -0.948
  297   HG23  VAL  39          2HG2      VAL  39  -6.247  -2.081  -1.946
  298    H    ASN  40           H        ASN  40  -8.850  -5.749   1.572
  299    HA   ASN  40           HA       ASN  40  -6.162  -5.822   2.723
  300    HB2  ASN  40           2HB      ASN  40  -7.141  -3.651   3.282
  301    HB3  ASN  40           1HB      ASN  40  -8.516  -4.465   4.030
  302   HD21  ASN  40          1HD2      ASN  40  -5.065  -4.015   4.195
  303   HD22  ASN  40          2HD2      ASN  40  -4.903  -4.352   5.881
  304    H    ASP  41           H        ASP  41  -9.431  -7.024   2.635
  305    HA   ASP  41           HA       ASP  41  -8.976  -8.733   4.941
  306    HB2  ASP  41           2HB      ASP  41 -11.241  -9.351   4.830
  307    HB3  ASP  41           1HB      ASP  41 -11.239  -7.664   4.340
  308    H    THR  42           H        THR  42  -8.593  -8.821   1.566
  309    HA   THR  42           HA       THR  42  -7.838 -11.657   1.736
  310    HB   THR  42           HB       THR  42  -8.574 -11.655  -0.789
  311    HG1  THR  42           1HG      THR  42 -10.597  -9.934   0.106
  312   HG21  THR  42          3HG2      THR  42 -10.817 -12.443  -0.128
  313   HG22  THR  42          1HG2      THR  42 -10.558 -11.784   1.488
  314   HG23  THR  42          2HG2      THR  42  -9.551 -13.109   0.904
  315    HA   PRO  43           HA       PRO  43  -4.574  -9.059  -0.351
  316    HB2  PRO  43           2HB      PRO  43  -3.097  -8.150   1.618
  317    HB3  PRO  43           1HB      PRO  43  -4.723  -7.492   1.376
  318    HG2  PRO  43           2HG      PRO  43  -3.745  -9.419   3.427
  319    HG3  PRO  43           1HG      PRO  43  -4.994  -8.174   3.566
  320    HD2  PRO  43           2HD      PRO  43  -5.358 -10.952   3.027
  321    HD3  PRO  43           1HD      PRO  43  -6.589  -9.675   3.054
  322    H    GLU  44           H        GLU  44  -4.619 -12.009   0.615
  323    HA   GLU  44           HA       GLU  44  -3.234 -13.796   0.427
  324    HB2  GLU  44           2HB      GLU  44  -2.243 -12.714  -1.498
  325    HB3  GLU  44           1HB      GLU  44  -1.214 -11.737  -0.463
  326    HG2  GLU  44           2HG      GLU  44   0.106 -13.481  -1.399
  327    HG3  GLU  44           1HG      GLU  44  -0.112 -13.825   0.315
  328    H    GLU  45           H        GLU  45  -1.357 -11.106   1.827
  329    HA   GLU  45           HA       GLU  45   0.200 -12.900   3.422
  330    HB2  GLU  45           2HB      GLU  45   1.146 -10.822   2.568
  331    HB3  GLU  45           1HB      GLU  45   0.001  -9.886   3.510
  332    HG2  GLU  45           2HG      GLU  45   0.999 -10.907   5.562
  333    HG3  GLU  45           1HG      GLU  45   2.236 -11.612   4.531
  334    H    GLU  46           H        GLU  46  -1.336 -10.064   4.907
  335    HA   GLU  46           HA       GLU  46  -2.697 -11.878   6.777
  336    HB2  GLU  46           2HB      GLU  46  -1.183  -9.356   7.462
  337    HB3  GLU  46           1HB      GLU  46  -2.264 -10.179   8.574
  338    HG2  GLU  46           2HG      GLU  46  -0.847 -12.174   8.456
  339    HG3  GLU  46           1HG      GLU  46   0.241 -11.325   7.361
  340    H    GLY  47           H        GLY  47  -2.774  -8.428   7.169
  341    HA2  GLY  47           2HA      GLY  47  -4.685  -7.557   5.463
  342    HA3  GLY  47           1HA      GLY  47  -5.616  -8.379   6.704
  343    H    MET  48           H        MET  48  -5.442  -7.565   8.903
  344    HA   MET  48           HA       MET  48  -5.752  -4.834   9.063
  345    HB2  MET  48           2HB      MET  48  -6.649  -6.354  10.741
  346    HB3  MET  48           1HB      MET  48  -5.023  -6.739  11.281
  347    HG2  MET  48           2HG      MET  48  -6.142  -5.164  12.763
  348    HG3  MET  48           1HG      MET  48  -4.679  -4.495  12.039
  349    HE1  MET  48           3HE      MET  48  -4.842  -2.122  12.021
  350    HE2  MET  48           1HE      MET  48  -6.086  -2.344  13.246
  351    HE3  MET  48           2HE      MET  48  -6.338  -1.188  11.935
  352    HA   PRO  49           HA       PRO  49  -1.280  -4.368  10.797
  353    HB2  PRO  49           2HB      PRO  49   0.528  -6.286  10.130
  354    HB3  PRO  49           1HB      PRO  49  -0.407  -6.337  11.629
  355    HG2  PRO  49           2HG      PRO  49  -0.854  -7.800   9.065
  356    HG3  PRO  49           1HG      PRO  49  -1.026  -8.375  10.729
  357    HD2  PRO  49           2HD      PRO  49  -3.133  -7.647   9.195
  358    HD3  PRO  49           1HD      PRO  49  -3.111  -7.493  10.953
  359    H    LEU  50           H        LEU  50  -1.914  -6.017   7.818
  360    HA   LEU  50           HA       LEU  50   0.047  -4.991   6.132
  361    HB2  LEU  50           2HB      LEU  50  -2.588  -6.233   5.907
  362    HB3  LEU  50           1HB      LEU  50  -2.229  -5.144   4.586
  363    HG   LEU  50           HG       LEU  50  -0.315  -7.294   5.402
  364   HD11  LEU  50          1HD1      LEU  50  -2.327  -8.464   4.964
  365   HD12  LEU  50          2HD1      LEU  50  -1.318  -8.598   3.524
  366   HD13  LEU  50          3HD1      LEU  50  -2.666  -7.466   3.553
  367   HD21  LEU  50          3HD2      LEU  50   0.496  -5.502   3.933
  368   HD22  LEU  50          1HD2      LEU  50  -0.841  -5.824   2.824
  369   HD23  LEU  50          2HD2      LEU  50   0.410  -7.045   3.076
  370    H    ARG  51           H        ARG  51  -3.158  -3.752   6.939
  371    HA   ARG  51           HA       ARG  51  -2.999  -1.420   5.381
  372    HB2  ARG  51           2HB      ARG  51  -5.142  -1.859   5.980
  373    HB3  ARG  51           1HB      ARG  51  -4.713  -2.433   7.581
  374    HG2  ARG  51           2HG      ARG  51  -4.409  -0.108   8.308
  375    HG3  ARG  51           1HG      ARG  51  -4.874   0.442   6.693
  376    HD2  ARG  51           2HD      ARG  51  -7.067  -0.382   6.931
  377    HD3  ARG  51           1HD      ARG  51  -6.638  -1.343   8.343
  378    HE   ARG  51           HE       ARG  51  -6.180   1.353   8.943
  379   HH11  ARG  51          1HH1      ARG  51  -8.860  -0.762   8.195
  380   HH12  ARG  51          2HH1      ARG  51  -9.984   0.079   9.213
  381   HH21  ARG  51          1HH2      ARG  51  -7.655   2.465  10.308
  382   HH22  ARG  51          2HH2      ARG  51  -9.294   1.911  10.416
  383    H    ALA  52           H        ALA  52  -2.313  -2.021   8.796
  384    HA   ALA  52           HA       ALA  52  -1.597   0.581   9.473
  385    HB1  ALA  52           1HB      ALA  52  -0.481  -0.404  11.397
  386    HB2  ALA  52           2HB      ALA  52  -0.551  -1.995  10.642
  387    HB3  ALA  52           3HB      ALA  52  -2.039  -1.176  11.113
  388    H    TRP  53           H        TRP  53   0.524  -2.122   8.370
  389    HA   TRP  53           HA       TRP  53   2.821  -0.434   8.578
  390    HB2  TRP  53           2HB      TRP  53   4.169  -2.232   7.930
  391    HB3  TRP  53           1HB      TRP  53   2.885  -2.929   8.886
  392    HD1  TRP  53           HD       TRP  53   1.724  -4.989   7.894
  393    HE1  TRP  53           1HE      TRP  53   1.805  -6.229   5.636
  394    HE3  TRP  53           3HE      TRP  53   4.418  -1.596   5.183
  395    HZ2  TRP  53           2HZ      TRP  53   2.875  -5.826   3.070
  396    HZ3  TRP  53           3HZ      TRP  53   4.950  -2.114   2.844
  397    HH2  TRP  53           HH       TRP  53   4.180  -4.184   1.802
  398    H    VAL  54           H        VAL  54   0.826  -1.509   5.873
  399    HA   VAL  54           HA       VAL  54   2.434  -0.468   3.821
  400    HB   VAL  54           HB       VAL  54  -0.441  -1.178   4.069
  401   HG11  VAL  54          1HG1      VAL  54  -0.890  -0.533   1.755
  402   HG12  VAL  54          2HG1      VAL  54   0.720   0.176   1.630
  403   HG13  VAL  54          3HG1      VAL  54  -0.472   0.880   2.721
  404   HG21  VAL  54          3HG2      VAL  54   1.744  -2.064   2.199
  405   HG22  VAL  54          1HG2      VAL  54   0.112  -2.726   2.259
  406   HG23  VAL  54          2HG2      VAL  54   1.193  -2.919   3.640
  407    H    ILE  55           H        ILE  55  -0.401   0.975   5.460
  408    HA   ILE  55           HA       ILE  55  -0.231   3.487   4.234
  409    HB   ILE  55           HB       ILE  55  -1.305   2.699   6.939
  410   HG12  ILE  55          2HG1      ILE  55  -2.701   3.366   4.343
  411   HG13  ILE  55          1HG1      ILE  55  -2.431   1.738   4.961
  412   HG21  ILE  55          1HG2      ILE  55  -0.704   5.055   6.978
  413   HG22  ILE  55          2HG2      ILE  55  -2.453   4.837   7.000
  414   HG23  ILE  55          3HG2      ILE  55  -1.645   5.330   5.509
  415   HD11  ILE  55          3HD1      ILE  55  -4.067   3.871   6.307
  416   HD12  ILE  55          1HD1      ILE  55  -3.823   2.226   6.887
  417   HD13  ILE  55          2HD1      ILE  55  -4.702   2.512   5.384
  418    H    LYS  56           H        LYS  56   1.330   2.247   7.165
  419    HA   LYS  56           HA       LYS  56   2.438   4.681   8.035
  420    HB2  LYS  56           2HB      LYS  56   2.358   2.110   8.997
  421    HB3  LYS  56           1HB      LYS  56   4.054   2.290   8.576
  422    HG2  LYS  56           2HG      LYS  56   2.506   4.127  10.391
  423    HG3  LYS  56           1HG      LYS  56   3.607   2.855  10.915
  424    HD2  LYS  56           2HD      LYS  56   5.449   3.995   9.753
  425    HD3  LYS  56           1HD      LYS  56   4.338   5.277   9.269
  426    HE2  LYS  56           2HE      LYS  56   3.917   5.797  11.621
  427    HE3  LYS  56           1HE      LYS  56   5.023   4.513  12.105
  428    HZ1  LYS  56           3HZ      LYS  56   5.740   6.953  10.573
  429    HZ2  LYS  56           1HZ      LYS  56   6.810   5.703  10.968
  430    HZ3  LYS  56           2HZ      LYS  56   6.118   6.643  12.190
  431    H    CYS  57           H        CYS  57   3.848   2.051   6.086
  432    HA   CYS  57           HA       CYS  57   6.354   3.288   5.705
  433    HB2  CYS  57           2HB      CYS  57   4.966   1.246   3.959
  434    HB3  CYS  57           1HB      CYS  57   6.679   1.650   3.900
  435    HG   CYS  57           HG       CYS  57   5.009   0.056   6.416
  436    H    ALA  58           H        ALA  58   3.390   3.292   3.766
  437    HA   ALA  58           HA       ALA  58   4.377   4.786   1.598
  438    HB1  ALA  58           1HB      ALA  58   2.247   3.578   1.536
  439    HB2  ALA  58           2HB      ALA  58   2.042   5.271   1.092
  440    HB3  ALA  58           3HB      ALA  58   1.569   4.716   2.698
  441    H    HIS  59           H        HIS  59   2.913   5.742   4.659
  442    HA   HIS  59           HA       HIS  59   2.792   8.509   4.220
  443    HB2  HIS  59           2HB      HIS  59   1.755   7.189   6.129
  444    HB3  HIS  59           1HB      HIS  59   3.346   7.176   6.874
  445    HD1  HIS  59           1HD      HIS  59   1.446   8.450   8.618
  446    HD2  HIS  59           2HD      HIS  59   3.161  10.577   5.497
  447    HE1  HIS  59           1HE      HIS  59   1.084  10.871   9.179
  448    HE2  HIS  59           2HE      HIS  59   2.018  12.139   7.215
  449    H    GLU  60           H        GLU  60   5.321   6.515   5.725
  450    HA   GLU  60           HA       GLU  60   7.092   8.614   6.302
  451    HB2  GLU  60           2HB      GLU  60   7.752   5.725   5.709
  452    HB3  GLU  60           1HB      GLU  60   8.813   6.880   6.507
  453    HG2  GLU  60           2HG      GLU  60   6.200   5.812   7.538
  454    HG3  GLU  60           1HG      GLU  60   7.815   5.446   8.145
  455    H    ALA  61           H        ALA  61   6.879   6.465   3.485
  456    HA   ALA  61           HA       ALA  61   9.148   7.466   2.150
  457    HB1  ALA  61           1HB      ALA  61   8.088   5.331   1.583
  458    HB2  ALA  61           2HB      ALA  61   8.249   6.373   0.169
  459    HB3  ALA  61           3HB      ALA  61   6.683   6.198   0.961
  460    H    LEU  62           H        LEU  62   5.724   8.338   1.951
  461    HA   LEU  62           HA       LEU  62   5.924  10.182  -0.150
  462    HB2  LEU  62           2HB      LEU  62   3.839   9.168   0.719
  463    HB3  LEU  62           1HB      LEU  62   3.966  10.159   2.153
  464    HG   LEU  62           HG       LEU  62   2.278  10.925   0.481
  465   HD11  LEU  62          1HD1      LEU  62   3.165  12.493   2.112
  466   HD12  LEU  62          2HD1      LEU  62   2.844  13.290   0.571
  467   HD13  LEU  62          3HD1      LEU  62   4.499  12.882   1.025
  468   HD21  LEU  62          3HD2      LEU  62   4.697  11.569  -1.189
  469   HD22  LEU  62          1HD2      LEU  62   3.039  12.061  -1.533
  470   HD23  LEU  62          2HD2      LEU  62   3.469  10.352  -1.545
  471    H    GLU  63           H        GLU  63   6.137  10.648   3.365
  472    HA   GLU  63           HA       GLU  63   6.500  13.486   3.101
  473    HB2  GLU  63           2HB      GLU  63   6.712  11.569   5.422
  474    HB3  GLU  63           1HB      GLU  63   7.056  13.286   5.587
  475    HG2  GLU  63           2HG      GLU  63   4.448  12.356   4.445
  476    HG3  GLU  63           1HG      GLU  63   4.710  12.416   6.188
  477    H    LYS  64           H        LYS  64   8.621  10.705   3.305
  478    HA   LYS  64           HA       LYS  64  11.012  12.047   3.965
  479    HB2  LYS  64           2HB      LYS  64  10.716   9.572   3.998
  480    HB3  LYS  64           1HB      LYS  64  10.681   9.577   2.243
  481    HG2  LYS  64           2HG      LYS  64  13.039  10.707   3.690
  482    HG3  LYS  64           1HG      LYS  64  12.867   8.964   3.502
  483    HD2  LYS  64           2HD      LYS  64  12.705   9.276   1.057
  484    HD3  LYS  64           1HD      LYS  64  12.952  11.009   1.281
  485    HE2  LYS  64           2HE      LYS  64  14.900   8.853   2.097
  486    HE3  LYS  64           1HE      LYS  64  15.015   9.819   0.627
  487    HZ1  LYS  64           3HZ      LYS  64  16.438  10.690   2.363
  488    HZ2  LYS  64           1HZ      LYS  64  15.116  10.872   3.403
  489    HZ3  LYS  64           2HZ      LYS  64  15.218  11.802   1.997
  490    H    ASN  65           H        ASN  65   9.632  11.163   0.819
  491    HA   ASN  65           HA       ASN  65  11.075  13.434  -0.325
  492    HB2  ASN  65           2HB      ASN  65  11.339  12.059  -2.460
  493    HB3  ASN  65           1HB      ASN  65  12.404  11.664  -1.124
  494   HD21  ASN  65          1HD2      ASN  65   9.029  10.684  -1.552
  495   HD22  ASN  65          2HD2      ASN  65   9.355   8.988  -1.665
  496    HA   PRO  66           HA       PRO  66   6.526  13.611  -0.994
  497    HB2  PRO  66           2HB      PRO  66   6.221  16.212  -0.370
  498    HB3  PRO  66           1HB      PRO  66   6.375  14.963   0.864
  499    HG2  PRO  66           2HG      PRO  66   8.471  16.814  -0.221
  500    HG3  PRO  66           1HG      PRO  66   8.111  16.405   1.468
  501    HD2  PRO  66           2HD      PRO  66  10.129  15.237   0.093
  502    HD3  PRO  66           1HD      PRO  66   9.210  14.382   1.344
  503    H    LYS  67           H        LYS  67   8.443  13.659  -3.074
  504    HA   LYS  67           HA       LYS  67   7.174  15.601  -4.889
  505    HB2  LYS  67           2HB      LYS  67  10.021  14.571  -4.916
  506    HB3  LYS  67           1HB      LYS  67   9.305  15.536  -6.201
  507    HG2  LYS  67           2HG      LYS  67   9.029  17.406  -4.708
  508    HG3  LYS  67           1HG      LYS  67   9.599  16.443  -3.344
  509    HD2  LYS  67           2HD      LYS  67  11.249  17.069  -5.792
  510    HD3  LYS  67           1HD      LYS  67  11.311  17.991  -4.289
  511    HE2  LYS  67           2HE      LYS  67  11.972  15.939  -3.091
  512    HE3  LYS  67           1HE      LYS  67  11.969  15.064  -4.620
  513    HZ1  LYS  67           3HZ      LYS  67  13.700  17.388  -3.980
  514    HZ2  LYS  67           1HZ      LYS  67  13.718  16.503  -5.422
  515    HZ3  LYS  67           2HZ      LYS  67  14.195  15.772  -3.974
  516    H    ILE  68           H        ILE  68   7.336  12.490  -3.981
  517    HA   ILE  68           HA       ILE  68   7.565  11.208  -6.560
  518    HB   ILE  68           HB       ILE  68   7.067   9.128  -5.359
  519   HG12  ILE  68          2HG1      ILE  68   6.936  10.822  -2.847
  520   HG13  ILE  68          1HG1      ILE  68   5.527  10.157  -3.668
  521   HG21  ILE  68          1HG2      ILE  68   9.171  10.848  -4.071
  522   HG22  ILE  68          2HG2      ILE  68   9.354   9.867  -5.525
  523   HG23  ILE  68          3HG2      ILE  68   9.087   9.091  -3.963
  524   HD11  ILE  68          3HD1      ILE  68   6.160   8.805  -1.763
  525   HD12  ILE  68          1HD1      ILE  68   7.770   8.576  -2.444
  526   HD13  ILE  68          2HD1      ILE  68   6.363   7.904  -3.265
  527    H    ARG  69           H        ARG  69   5.773   9.293  -6.638
  528    HA   ARG  69           HA       ARG  69   3.118  10.478  -6.381
  529    HB2  ARG  69           2HB      ARG  69   2.584   9.799  -8.748
  530    HB3  ARG  69           1HB      ARG  69   3.646  11.187  -8.573
  531    HG2  ARG  69           2HG      ARG  69   5.476  10.065  -9.383
  532    HG3  ARG  69           1HG      ARG  69   4.842   8.483  -8.921
  533    HD2  ARG  69           2HD      ARG  69   3.647  10.200 -11.085
  534    HD3  ARG  69           1HD      ARG  69   4.844   8.939 -11.383
  535    HE   ARG  69           HE       ARG  69   3.207   7.354 -10.425
  536   HH11  ARG  69          1HH1      ARG  69   2.039  10.418 -11.669
  537   HH12  ARG  69          2HH1      ARG  69   0.446   9.813 -11.982
  538   HH21  ARG  69          1HH2      ARG  69   1.146   6.573 -10.829
  539   HH22  ARG  69          2HH2      ARG  69  -0.066   7.620 -11.506
  540    H    GLU  70           H        GLU  70   5.164   7.708  -6.571
  541    HA   GLU  70           HA       GLU  70   3.148   6.133  -5.330
  542    HB2  GLU  70           2HB      GLU  70   3.086   4.344  -7.062
  543    HB3  GLU  70           1HB      GLU  70   2.329   5.855  -7.558
  544    HG2  GLU  70           2HG      GLU  70   4.384   6.428  -8.804
  545    HG3  GLU  70           1HG      GLU  70   5.052   4.856  -8.369
  546    H    VAL  71           H        VAL  71   3.925   4.041  -4.637
  547    HA   VAL  71           HA       VAL  71   6.825   3.654  -4.864
  548    HB   VAL  71           HB       VAL  71   6.936   3.002  -2.460
  549   HG11  VAL  71          1HG1      VAL  71   6.121   5.851  -3.007
  550   HG12  VAL  71          2HG1      VAL  71   7.745   5.178  -3.142
  551   HG13  VAL  71          3HG1      VAL  71   6.966   5.294  -1.564
  552   HG21  VAL  71          3HG2      VAL  71   4.180   4.218  -2.359
  553   HG22  VAL  71          1HG2      VAL  71   5.165   3.839  -0.946
  554   HG23  VAL  71          2HG2      VAL  71   4.619   2.545  -2.011
  555    H    TYR  72           H        TYR  72   7.505   1.469  -4.358
  556    HA   TYR  72           HA       TYR  72   5.364  -0.430  -5.038
  557    HB2  TYR  72           2HB      TYR  72   8.316  -0.626  -5.692
  558    HB3  TYR  72           1HB      TYR  72   7.047  -1.723  -6.234
  559    HD1  TYR  72           2HD      TYR  72   5.300  -0.891  -7.808
  560    HD2  TYR  72           1HD      TYR  72   8.724   1.433  -6.831
  561    HE1  TYR  72           2HE      TYR  72   4.865   0.555  -9.748
  562    HE2  TYR  72           1HE      TYR  72   8.292   2.891  -8.764
  563    HH   TYR  72           HH       TYR  72   5.374   2.951 -10.394
  564    H    LEU  73           H        LEU  73   4.844  -1.803  -3.505
  565    HA   LEU  73           HA       LEU  73   6.759  -2.189  -1.315
  566    HB2  LEU  73           2HB      LEU  73   3.792  -1.980  -1.395
  567    HB3  LEU  73           1HB      LEU  73   4.539  -2.928  -0.123
  568    HG   LEU  73           HG       LEU  73   5.036   0.000  -0.674
  569   HD11  LEU  73          1HD1      LEU  73   3.923   0.336   1.475
  570   HD12  LEU  73          2HD1      LEU  73   3.609  -1.396   1.588
  571   HD13  LEU  73          3HD1      LEU  73   2.851  -0.442   0.314
  572   HD21  LEU  73          3HD2      LEU  73   6.248  -0.184   1.549
  573   HD22  LEU  73          1HD2      LEU  73   7.058  -0.895   0.152
  574   HD23  LEU  73          2HD2      LEU  73   6.219  -1.933   1.302
  575    H    LYS  74           H        LYS  74   7.302  -4.095  -0.596
  576    HA   LYS  74           HA       LYS  74   6.065  -6.485  -1.774
  577    HB2  LYS  74           2HB      LYS  74   8.369  -6.161  -2.570
  578    HB3  LYS  74           1HB      LYS  74   8.934  -6.051  -0.910
  579    HG2  LYS  74           2HG      LYS  74   9.458  -8.216  -1.765
  580    HG3  LYS  74           1HG      LYS  74   8.192  -8.386  -0.551
  581    HD2  LYS  74           2HD      LYS  74   6.517  -8.561  -2.317
  582    HD3  LYS  74           1HD      LYS  74   7.769  -8.346  -3.539
  583    HE2  LYS  74           2HE      LYS  74   7.604 -10.604  -1.551
  584    HE3  LYS  74           1HE      LYS  74   7.148 -10.698  -3.253
  585    HZ1  LYS  74           3HZ      LYS  74   9.878 -10.030  -2.289
  586    HZ2  LYS  74           1HZ      LYS  74   9.402 -10.268  -3.893
  587    HZ3  LYS  74           2HZ      LYS  74   9.396 -11.565  -2.810
  588    HA   PRO  75           HA       PRO  75   4.354  -7.203   2.320
  589    HB2  PRO  75           2HB      PRO  75   5.021  -9.946   1.355
  590    HB3  PRO  75           1HB      PRO  75   3.550  -9.358   2.137
  591    HG2  PRO  75           2HG      PRO  75   3.817  -9.708  -0.556
  592    HG3  PRO  75           1HG      PRO  75   2.679  -8.579   0.189
  593    HD2  PRO  75           2HD      PRO  75   4.992  -7.995  -1.418
  594    HD3  PRO  75           1HD      PRO  75   3.813  -6.869  -0.740
  595    H    ARG  76           H        ARG  76   5.095  -7.596   4.304
  596    HA   ARG  76           HA       ARG  76   7.860  -7.802   4.837
  597    HB2  ARG  76           2HB      ARG  76   5.552  -8.396   6.701
  598    HB3  ARG  76           1HB      ARG  76   7.206  -8.056   7.181
  599    HG2  ARG  76           2HG      ARG  76   6.991  -5.792   6.234
  600    HG3  ARG  76           1HG      ARG  76   5.305  -6.140   5.845
  601    HD2  ARG  76           2HD      ARG  76   6.538  -6.119   8.600
  602    HD3  ARG  76           1HD      ARG  76   5.470  -4.889   7.928
  603    HE   ARG  76           HE       ARG  76   4.255  -7.463   7.878
  604   HH11  ARG  76          1HH1      ARG  76   5.013  -4.786   9.998
  605   HH12  ARG  76          2HH1      ARG  76   3.706  -5.117  11.090
  606   HH21  ARG  76          1HH2      ARG  76   2.546  -7.913   9.328
  607   HH22  ARG  76          2HH2      ARG  76   2.328  -6.908  10.728
  608    H    ALA  77           H        ALA  77   5.232 -10.108   4.635
  609    HA   ALA  77           HA       ALA  77   6.922 -12.360   5.300
  610    HB1  ALA  77           1HB      ALA  77   4.179 -12.308   4.032
  611    HB2  ALA  77           2HB      ALA  77   4.504 -12.417   5.763
  612    HB3  ALA  77           3HB      ALA  77   4.998 -13.727   4.689
  613    H    VAL  78           H        VAL  78   8.542 -11.552   3.746
  614    HA   VAL  78           HA       VAL  78   8.184 -11.435   0.980
  615    HB   VAL  78           HB       VAL  78  10.725 -12.280   2.381
  616   HG11  VAL  78          1HG1      VAL  78  10.257 -10.874  -0.246
  617   HG12  VAL  78          2HG1      VAL  78  10.798 -12.540  -0.035
  618   HG13  VAL  78          3HG1      VAL  78  11.832 -11.205   0.472
  619   HG21  VAL  78          3HG2      VAL  78   9.864 -10.265   3.432
  620   HG22  VAL  78          1HG2      VAL  78   9.683  -9.499   1.855
  621   HG23  VAL  78          2HG2      VAL  78  11.289  -9.891   2.463
  622    H    LYS  79           H        LYS  79   8.434 -14.137   3.093
  623    HA   LYS  79           HA       LYS  79   9.359 -16.142   1.403
  624    HB2  LYS  79           2HB      LYS  79   8.987 -16.346   3.863
  625    HB3  LYS  79           1HB      LYS  79   7.260 -16.452   3.551
  626    HG2  LYS  79           2HG      LYS  79   7.609 -18.493   2.263
  627    HG3  LYS  79           1HG      LYS  79   9.346 -18.382   2.550
  628    HD2  LYS  79           2HD      LYS  79   7.218 -18.712   4.663
  629    HD3  LYS  79           1HD      LYS  79   8.287 -19.979   4.066
  630    HE2  LYS  79           2HE      LYS  79   9.126 -17.471   5.516
  631    HE3  LYS  79           1HE      LYS  79   9.078 -19.096   6.194
  632    HZ1  LYS  79           3HZ      LYS  79  10.777 -19.773   4.625
  633    HZ2  LYS  79           1HZ      LYS  79  11.317 -18.455   5.535
  634    HZ3  LYS  79           2HZ      LYS  79  10.808 -18.231   3.939
  635    H    ASN  80           H        ASN  80   6.304 -14.507   1.430
  636    HA   ASN  80           HA       ASN  80   4.706 -16.431   0.147
  637    HB2  ASN  80           2HB      ASN  80   4.603 -13.417   0.043
  638    HB3  ASN  80           1HB      ASN  80   3.398 -14.457  -0.705
  639   HD21  ASN  80          1HD2      ASN  80   3.131 -12.483   1.390
  640   HD22  ASN  80          2HD2      ASN  80   2.452 -13.321   2.727
  641    H    SER  81           H        SER  81   6.965 -14.042  -1.037
  642    HA   SER  81           HA       SER  81   8.161 -13.867  -2.938
  643    HB2  SER  81           2HB      SER  81   6.896 -16.483  -3.770
  644    HB3  SER  81           1HB      SER  81   8.340 -15.750  -4.462
  645    HG   SER  81           HG       SER  81   8.045 -16.609  -1.766
  646    H    SER  82           H        SER  82   4.928 -15.136  -3.769
  647    HA   SER  82           HA       SER  82   4.958 -13.452  -6.155
  648    HB2  SER  82           2HB      SER  82   3.025 -15.643  -5.367
  649    HB3  SER  82           1HB      SER  82   3.151 -14.873  -6.947
  650    HG   SER  82           HG       SER  82   4.724 -16.829  -5.802
  651    H    VAL  83           H        VAL  83   4.664 -11.817  -4.085
  652    HA   VAL  83           HA       VAL  83   1.934 -10.856  -4.536
  653    HB   VAL  83           HB       VAL  83   2.650  -9.930  -1.971
  654   HG11  VAL  83          1HG1      VAL  83   0.558 -10.981  -1.300
  655   HG12  VAL  83          2HG1      VAL  83   0.519 -11.864  -2.827
  656   HG13  VAL  83          3HG1      VAL  83   0.406 -10.102  -2.821
  657   HG21  VAL  83          3HG2      VAL  83   2.842 -12.921  -2.164
  658   HG22  VAL  83          1HG2      VAL  83   2.664 -12.014  -0.658
  659   HG23  VAL  83          2HG2      VAL  83   4.105 -11.797  -1.658
  660    H    GLN  84           H        GLN  84   1.898  -8.754  -5.062
  661    HA   GLN  84           HA       GLN  84   4.076  -7.085  -4.066
  662    HB2  GLN  84           2HB      GLN  84   3.026  -6.886  -6.894
  663    HB3  GLN  84           1HB      GLN  84   4.255  -5.866  -6.171
  664    HG2  GLN  84           2HG      GLN  84   5.523  -7.301  -7.425
  665    HG3  GLN  84           1HG      GLN  84   5.554  -8.092  -5.848
  666   HE21  GLN  84          1HE2      GLN  84   2.762  -8.101  -7.948
  667   HE22  GLN  84          2HE2      GLN  84   2.824  -9.777  -8.351
  668    H    PHE  85           H        PHE  85   3.507  -5.015  -3.541
  669    HA   PHE  85           HA       PHE  85   0.653  -4.362  -3.830
  670    HB2  PHE  85           2HB      PHE  85   2.561  -3.869  -1.561
  671    HB3  PHE  85           1HB      PHE  85   1.135  -2.862  -1.776
  672    HD1  PHE  85           2HD      PHE  85   2.073  -6.473  -1.598
  673    HD2  PHE  85           1HD      PHE  85  -0.777  -3.456  -0.661
  674    HE1  PHE  85           2HE      PHE  85   0.737  -8.125  -0.354
  675    HE2  PHE  85           1HE      PHE  85  -2.115  -5.101   0.584
  676    HZ   PHE  85           HZ       PHE  85  -1.355  -7.440   0.746
  677    H    HIS  86           H        HIS  86   0.232  -2.668  -5.018
  678    HA   HIS  86           HA       HIS  86   2.415  -0.815  -5.666
  679    HB2  HIS  86           2HB      HIS  86  -0.090  -1.628  -7.102
  680    HB3  HIS  86           1HB      HIS  86   0.644  -0.067  -7.451
  681    HD1  HIS  86           1HD      HIS  86   0.896  -3.640  -8.247
  682    HD2  HIS  86           2HD      HIS  86   3.341  -0.279  -8.474
  683    HE1  HIS  86           1HE      HIS  86   2.776  -4.261  -9.791
  684    HE2  HIS  86           2HE      HIS  86   4.143  -2.166 -10.046
  685    H    VAL  87           H        VAL  87   2.444   0.775  -4.197
  686    HA   VAL  87           HA       VAL  87  -0.105   1.917  -3.323
  687    HB   VAL  87           HB       VAL  87   2.707   2.365  -2.317
  688   HG11  VAL  87          1HG1      VAL  87   0.111   3.525  -1.313
  689   HG12  VAL  87          2HG1      VAL  87   1.401   4.415  -2.122
  690   HG13  VAL  87          3HG1      VAL  87   1.684   3.697  -0.536
  691   HG21  VAL  87          3HG2      VAL  87   0.329   0.969  -1.099
  692   HG22  VAL  87          1HG2      VAL  87   1.859   1.269  -0.279
  693   HG23  VAL  87          2HG2      VAL  87   1.807   0.208  -1.686
  694    H    ILE  88           H        ILE  88  -0.872   3.473  -4.510
  695    HA   ILE  88           HA       ILE  88   1.003   5.219  -5.957
  696    HB   ILE  88           HB       ILE  88  -1.826   4.437  -6.666
  697   HG12  ILE  88          2HG1      ILE  88   0.791   3.766  -8.027
  698   HG13  ILE  88          1HG1      ILE  88  -0.076   2.674  -6.949
  699   HG21  ILE  88          1HG2      ILE  88  -1.449   5.635  -8.760
  700   HG22  ILE  88          2HG2      ILE  88   0.135   6.152  -8.181
  701   HG23  ILE  88          3HG2      ILE  88  -1.326   6.716  -7.370
  702   HD11  ILE  88          3HD1      ILE  88  -1.112   3.756  -9.555
  703   HD12  ILE  88          1HD1      ILE  88  -1.964   2.654  -8.476
  704   HD13  ILE  88          2HD1      ILE  88  -0.482   2.132  -9.277
  705    H    PHE  89           H        PHE  89   0.690   7.408  -5.913
  706    HA   PHE  89           HA       PHE  89  -1.038   8.318  -3.739
  707    HB2  PHE  89           2HB      PHE  89   1.424   9.506  -5.009
  708    HB3  PHE  89           1HB      PHE  89   0.430  10.361  -3.832
  709    HD1  PHE  89           1HD      PHE  89  -0.138   8.992  -1.686
  710    HD2  PHE  89           2HD      PHE  89   3.190   8.246  -4.223
  711    HE1  PHE  89           1HE      PHE  89   0.973   7.781   0.135
  712    HE2  PHE  89           2HE      PHE  89   4.309   7.036  -2.400
  713    HZ   PHE  89           HZ       PHE  89   3.179   6.802  -0.231
  714    H    ASP  90           H        ASP  90  -2.906   9.060  -4.369
  715    HA   ASP  90           HA       ASP  90  -3.432   9.827  -7.089
  716    HB2  ASP  90           2HB      ASP  90  -4.969   8.626  -5.287
  717    HB3  ASP  90           1HB      ASP  90  -5.410  10.282  -4.896
  718    H    GLU  91           H        GLU  91  -3.618  11.820  -7.914
  719    HA   GLU  91           HA       GLU  91  -2.802  14.037  -6.244
  720    HB2  GLU  91           2HB      GLU  91  -2.988  15.335  -8.434
  721    HB3  GLU  91           1HB      GLU  91  -1.759  14.086  -8.345
  722    HG2  GLU  91           2HG      GLU  91  -4.450  13.600  -9.582
  723    HG3  GLU  91           1HG      GLU  91  -3.091  14.256 -10.492
  724    H    GLU  92           H        GLU  92  -4.128  15.265  -5.197
  725    HA   GLU  92           HA       GLU  92  -6.978  15.188  -5.912
  726    HB2  GLU  92           2HB      GLU  92  -7.271  15.645  -3.404
  727    HB3  GLU  92           1HB      GLU  92  -6.723  14.038  -3.871
  728    HG2  GLU  92           2HG      GLU  92  -4.487  14.528  -3.252
  729    HG3  GLU  92           1HG      GLU  92  -4.854  16.237  -3.046
  Start of MODEL   10
    1    H1   GLY   1           1HT      GLY   1  -3.684 -30.334 -24.208
    2    H2   GLY   1           2HT      GLY   1  -2.241 -31.115 -24.618
    3    H3   GLY   1           3HT      GLY   1  -3.061 -30.195 -25.775
    4    HA2  GLY   1           1HA      GLY   1  -1.169 -28.971 -24.974
    5    HA3  GLY   1           2HA      GLY   1  -2.665 -28.187 -24.488
    6    H    SER   2           H        SER   2  -0.213 -27.764 -23.200
    7    HA   SER   2           HA       SER   2  -0.576 -29.188 -20.658
    8    HB2  SER   2           2HB      SER   2   1.819 -28.496 -20.228
    9    HB3  SER   2           1HB      SER   2   1.601 -29.643 -21.549
   10    HG   SER   2           HG       SER   2   3.025 -27.841 -22.020
   11    H    ALA   3           H        ALA   3  -0.317 -27.973 -18.705
   12    HA   ALA   3           HA       ALA   3  -1.527 -25.391 -18.783
   13    HB1  ALA   3           1HB      ALA   3  -0.196 -26.826 -16.483
   14    HB2  ALA   3           2HB      ALA   3  -1.900 -26.938 -16.921
   15    HB3  ALA   3           3HB      ALA   3  -1.234 -25.405 -16.355
   16    H    MET   4           H        MET   4  -0.611 -23.386 -18.332
   17    HA   MET   4           HA       MET   4   2.146 -23.163 -19.165
   18    HB2  MET   4           2HB      MET   4   0.089 -21.056 -18.484
   19    HB3  MET   4           1HB      MET   4   1.705 -20.706 -19.078
   20    HG2  MET   4           2HG      MET   4   0.254 -20.542 -20.928
   21    HG3  MET   4           1HG      MET   4   1.139 -22.053 -21.117
   22    HE1  MET   4           3HE      MET   4  -2.301 -22.985 -22.685
   23    HE2  MET   4           1HE      MET   4  -0.551 -22.985 -22.898
   24    HE3  MET   4           2HE      MET   4  -1.430 -21.459 -22.821
   25    H    GLY   5           H        GLY   5   2.549 -24.430 -17.030
   26    HA2  GLY   5           2HA      GLY   5   3.722 -24.394 -15.055
   27    HA3  GLY   5           1HA      GLY   5   3.898 -22.657 -15.262
   28    H    HIS   6           H        HIS   6   3.625 -23.268 -12.786
   29    HA   HIS   6           HA       HIS   6   0.909 -22.404 -12.150
   30    HB2  HIS   6           2HB      HIS   6   2.313 -24.763 -10.895
   31    HB3  HIS   6           1HB      HIS   6   0.986 -23.922 -10.100
   32    HD1  HIS   6           1HD      HIS   6   1.642 -26.658 -12.344
   33    HD2  HIS   6           2HD      HIS   6  -1.454 -23.938 -11.808
   34    HE1  HIS   6           1HE      HIS   6  -0.343 -27.653 -13.518
   35    HE2  HIS   6           2HE      HIS   6  -2.242 -26.073 -13.030
   36    H    MET   7           H        MET   7   2.713 -20.614 -12.330
   37    HA   MET   7           HA       MET   7   3.759 -20.138  -9.617
   38    HB2  MET   7           2HB      MET   7   5.491 -20.251 -11.374
   39    HB3  MET   7           1HB      MET   7   4.680 -18.963 -12.252
   40    HG2  MET   7           2HG      MET   7   5.093 -17.439 -10.378
   41    HG3  MET   7           1HG      MET   7   5.931 -18.734  -9.524
   42    HE1  MET   7           3HE      MET   7   8.005 -17.106  -9.225
   43    HE2  MET   7           1HE      MET   7   7.190 -15.834 -10.135
   44    HE3  MET   7           2HE      MET   7   8.833 -16.311 -10.564
   45    HA   PRO   8           HA       PRO   8   0.284 -17.198 -10.134
   46    HB2  PRO   8           2HB      PRO   8   0.061 -17.388  -7.233
   47    HB3  PRO   8           1HB      PRO   8  -1.120 -17.824  -8.470
   48    HG2  PRO   8           2HG      PRO   8   0.144 -19.669  -6.943
   49    HG3  PRO   8           1HG      PRO   8  -0.367 -19.991  -8.609
   50    HD2  PRO   8           2HD      PRO   8   2.351 -19.279  -7.567
   51    HD3  PRO   8           1HD      PRO   8   1.893 -20.491  -8.784
   52    H    ALA   9           H        ALA   9   0.390 -15.041  -9.986
   53    HA   ALA   9           HA       ALA   9   2.325 -13.878  -8.099
   54    HB1  ALA   9           1HB      ALA   9   3.171 -13.737 -10.397
   55    HB2  ALA   9           2HB      ALA   9   2.812 -12.140  -9.742
   56    HB3  ALA   9           3HB      ALA   9   1.700 -12.894 -10.884
   57    H    VAL  10           H        VAL  10   1.251 -12.826  -6.577
   58    HA   VAL  10           HA       VAL  10  -1.419 -11.796  -7.136
   59    HB   VAL  10           HB       VAL  10   0.113 -11.849  -4.524
   60   HG11  VAL  10          1HG1      VAL  10  -1.625 -10.142  -4.562
   61   HG12  VAL  10          2HG1      VAL  10  -2.070 -11.463  -3.482
   62   HG13  VAL  10          3HG1      VAL  10  -2.809 -11.342  -5.079
   63   HG21  VAL  10          3HG2      VAL  10  -1.314 -13.762  -3.944
   64   HG22  VAL  10          1HG2      VAL  10  -0.294 -14.104  -5.342
   65   HG23  VAL  10          2HG2      VAL  10  -2.004 -13.732  -5.567
   66    H    ASP  11           H        ASP  11  -1.694  -9.766  -7.756
   67    HA   ASP  11           HA       ASP  11   0.266  -7.746  -6.891
   68    HB2  ASP  11           2HB      ASP  11   0.542  -8.484  -9.304
   69    HB3  ASP  11           1HB      ASP  11  -1.053  -7.809  -9.614
   70    H    VAL  12           H        VAL  12  -0.687  -6.214  -5.750
   71    HA   VAL  12           HA       VAL  12  -3.552  -5.671  -6.207
   72    HB   VAL  12           HB       VAL  12  -2.082  -5.579  -3.560
   73   HG11  VAL  12          1HG1      VAL  12  -5.013  -5.213  -4.177
   74   HG12  VAL  12          2HG1      VAL  12  -3.888  -3.944  -3.692
   75   HG13  VAL  12          3HG1      VAL  12  -4.289  -5.242  -2.569
   76   HG21  VAL  12          3HG2      VAL  12  -3.441  -7.525  -2.948
   77   HG22  VAL  12          1HG2      VAL  12  -2.389  -7.872  -4.321
   78   HG23  VAL  12          2HG2      VAL  12  -4.107  -7.571  -4.581
   79    H    GLU  13           H        GLU  13  -4.188  -3.534  -6.283
   80    HA   GLU  13           HA       GLU  13  -2.013  -1.565  -6.188
   81    HB2  GLU  13           2HB      GLU  13  -3.374  -0.179  -7.687
   82    HB3  GLU  13           1HB      GLU  13  -3.050  -1.754  -8.396
   83    HG2  GLU  13           2HG      GLU  13  -5.278  -2.500  -7.847
   84    HG3  GLU  13           1HG      GLU  13  -5.611  -0.982  -7.017
   85    H    ILE  14           H        ILE  14  -2.057  -0.045  -4.699
   86    HA   ILE  14           HA       ILE  14  -4.567   0.402  -3.225
   87    HB   ILE  14           HB       ILE  14  -1.731   0.712  -2.204
   88   HG12  ILE  14          2HG1      ILE  14  -3.826  -1.401  -1.632
   89   HG13  ILE  14          1HG1      ILE  14  -2.301  -1.642  -2.475
   90   HG21  ILE  14          1HG2      ILE  14  -3.249   2.295  -1.174
   91   HG22  ILE  14          2HG2      ILE  14  -2.784   1.050  -0.015
   92   HG23  ILE  14          3HG2      ILE  14  -4.372   0.994  -0.780
   93   HD11  ILE  14          3HD1      ILE  14  -2.131  -2.493  -0.237
   94   HD12  ILE  14          1HD1      ILE  14  -2.663  -0.951   0.434
   95   HD13  ILE  14          2HD1      ILE  14  -1.106  -1.067  -0.389
   96    H    HIS  15           H        HIS  15  -5.024   2.615  -2.642
   97    HA   HIS  15           HA       HIS  15  -3.408   4.581  -4.117
   98    HB2  HIS  15           2HB      HIS  15  -6.423   4.478  -3.935
   99    HB3  HIS  15           1HB      HIS  15  -5.508   5.819  -4.617
  100    HD1  HIS  15           1HD      HIS  15  -6.908   2.527  -5.444
  101    HD2  HIS  15           2HD      HIS  15  -4.083   5.130  -7.044
  102    HE1  HIS  15           1HE      HIS  15  -6.542   1.760  -7.806
  103    HE2  HIS  15           2HE      HIS  15  -4.889   3.390  -8.782
  104    H    PHE  16           H        PHE  16  -2.601   6.081  -2.876
  105    HA   PHE  16           HA       PHE  16  -4.079   6.928  -0.468
  106    HB2  PHE  16           2HB      PHE  16  -1.092   6.594  -0.836
  107    HB3  PHE  16           1HB      PHE  16  -1.820   7.404   0.536
  108    HD1  PHE  16           1HD      PHE  16  -4.085   5.607   1.125
  109    HD2  PHE  16           2HD      PHE  16  -0.061   4.752   0.071
  110    HE1  PHE  16           1HE      PHE  16  -4.226   3.480   2.341
  111    HE2  PHE  16           2HE      PHE  16  -0.194   2.612   1.276
  112    HZ   PHE  16           HZ       PHE  16  -2.279   1.979   2.415
  113    HA   PRO  17           HA       PRO  17  -3.848  10.751  -2.935
  114    HB2  PRO  17           2HB      PRO  17  -5.152  11.843  -0.520
  115    HB3  PRO  17           1HB      PRO  17  -5.650  11.945  -2.210
  116    HG2  PRO  17           2HG      PRO  17  -6.903  10.362  -0.442
  117    HG3  PRO  17           1HG      PRO  17  -6.747   9.929  -2.152
  118    HD2  PRO  17           2HD      PRO  17  -5.292   8.867   0.217
  119    HD3  PRO  17           1HD      PRO  17  -5.755   8.046  -1.287
  120    H    LEU  18           H        LEU  18  -2.096  12.029  -2.944
  121    HA   LEU  18           HA       LEU  18  -0.001  11.690  -1.273
  122    HB2  LEU  18           2HB      LEU  18   0.271  14.342  -2.105
  123    HB3  LEU  18           1HB      LEU  18   0.988  12.918  -2.800
  124    HG   LEU  18           HG       LEU  18  -1.749  13.745  -3.681
  125   HD11  LEU  18          1HD1      LEU  18  -0.757  15.173  -5.383
  126   HD12  LEU  18          2HD1      LEU  18   0.839  14.920  -4.682
  127   HD13  LEU  18          3HD1      LEU  18  -0.397  15.783  -3.769
  128   HD21  LEU  18          3HD2      LEU  18   0.615  12.413  -5.006
  129   HD22  LEU  18          1HD2      LEU  18  -0.911  12.791  -5.805
  130   HD23  LEU  18          2HD2      LEU  18  -0.875  11.628  -4.483
  131    H    LYS  19           H        LYS  19  -2.347  14.377  -0.957
  132    HA   LYS  19           HA       LYS  19  -0.853  15.471   1.238
  133    HB2  LYS  19           2HB      LYS  19  -2.602  17.125   1.413
  134    HB3  LYS  19           1HB      LYS  19  -2.096  16.942  -0.257
  135    HG2  LYS  19           2HG      LYS  19  -4.096  15.532  -0.640
  136    HG3  LYS  19           1HG      LYS  19  -4.608  15.881   1.013
  137    HD2  LYS  19           2HD      LYS  19  -4.441  18.334   0.397
  138    HD3  LYS  19           1HD      LYS  19  -4.283  17.808  -1.275
  139    HE2  LYS  19           2HE      LYS  19  -6.544  18.289  -0.988
  140    HE3  LYS  19           1HE      LYS  19  -6.431  16.534  -0.942
  141    HZ1  LYS  19           3HZ      LYS  19  -7.869  17.284   0.804
  142    HZ2  LYS  19           1HZ      LYS  19  -6.694  18.349   1.392
  143    HZ3  LYS  19           2HZ      LYS  19  -6.453  16.680   1.505
  144    H    ARG  20           H        ARG  20  -3.535  13.301   0.948
  145    HA   ARG  20           HA       ARG  20  -4.394  13.639   3.679
  146    HB2  ARG  20           2HB      ARG  20  -5.180  11.609   1.582
  147    HB3  ARG  20           1HB      ARG  20  -5.902  11.702   3.187
  148    HG2  ARG  20           2HG      ARG  20  -6.675  13.942   2.732
  149    HG3  ARG  20           1HG      ARG  20  -5.936  13.904   1.130
  150    HD2  ARG  20           2HD      ARG  20  -8.019  13.281   0.497
  151    HD3  ARG  20           1HD      ARG  20  -7.467  11.686   1.010
  152    HE   ARG  20           HE       ARG  20  -8.483  12.783   3.286
  153   HH11  ARG  20          1HH1      ARG  20  -9.793  12.262   0.064
  154   HH12  ARG  20          2HH1      ARG  20 -11.429  12.129   0.623
  155   HH21  ARG  20          1HH2      ARG  20 -10.613  12.630   4.001
  156   HH22  ARG  20          2HH2      ARG  20 -11.900  12.344   2.870
  157    H    ILE  21           H        ILE  21  -2.393  11.378   1.875
  158    HA   ILE  21           HA       ILE  21  -2.077   9.574   4.071
  159    HB   ILE  21           HB       ILE  21  -1.724   8.848   1.752
  160   HG12  ILE  21          2HG1      ILE  21   0.220   7.468   2.111
  161   HG13  ILE  21          1HG1      ILE  21   0.856   8.592   3.306
  162   HG21  ILE  21          1HG2      ILE  21   0.730  10.593   1.832
  163   HG22  ILE  21          2HG2      ILE  21  -0.703  10.844   0.837
  164   HG23  ILE  21          3HG2      ILE  21   0.335   9.449   0.550
  165   HD11  ILE  21          3HD1      ILE  21  -1.664   6.978   3.615
  166   HD12  ILE  21          1HD1      ILE  21  -0.927   8.025   4.829
  167   HD13  ILE  21          2HD1      ILE  21  -0.093   6.564   4.300
  168    H    ALA  22           H        ALA  22  -0.861  12.637   3.335
  169    HA   ALA  22           HA       ALA  22   1.568  12.353   4.904
  170    HB1  ALA  22           1HB      ALA  22   1.601  13.738   2.885
  171    HB2  ALA  22           2HB      ALA  22   1.981  14.683   4.324
  172    HB3  ALA  22           3HB      ALA  22   0.381  14.798   3.592
  173    H    ALA  23           H        ALA  23  -1.663  12.856   5.551
  174    HA   ALA  23           HA       ALA  23  -1.329  14.780   7.692
  175    HB1  ALA  23           1HB      ALA  23  -3.372  14.779   6.342
  176    HB2  ALA  23           2HB      ALA  23  -3.726  14.488   8.045
  177    HB3  ALA  23           3HB      ALA  23  -3.741  13.147   6.899
  178    H    GLU  24           H        GLU  24  -1.615  14.351   9.887
  179    HA   GLU  24           HA       GLU  24  -0.718  11.758  10.759
  180    HB2  GLU  24           2HB      GLU  24   0.041  13.886  11.816
  181    HB3  GLU  24           1HB      GLU  24  -1.595  14.146  12.399
  182    HG2  GLU  24           2HG      GLU  24  -0.251  13.277  14.178
  183    HG3  GLU  24           1HG      GLU  24  -1.431  12.059  13.701
  184    H    GLY  25           H        GLY  25  -3.662  13.684  10.936
  185    HA2  GLY  25           2HA      GLY  25  -5.099  11.497  12.241
  186    HA3  GLY  25           1HA      GLY  25  -5.732  13.104  11.899
  187    H    TYR  26           H        TYR  26  -4.173  10.734   9.785
  188    HA   TYR  26           HA       TYR  26  -5.990  11.231   7.657
  189    HB2  TYR  26           2HB      TYR  26  -4.783   9.420   6.493
  190    HB3  TYR  26           1HB      TYR  26  -3.683  10.578   7.233
  191    HD1  TYR  26           1HD      TYR  26  -5.196   7.208   7.760
  192    HD2  TYR  26           2HD      TYR  26  -2.038   9.882   8.740
  193    HE1  TYR  26           1HE      TYR  26  -4.040   5.398   8.952
  194    HE2  TYR  26           2HE      TYR  26  -0.877   8.081   9.933
  195    HH   TYR  26           HH       TYR  26  -1.857   4.791   9.704
  196    H    ALA  27           H        ALA  27  -6.251   9.329  10.409
  197    HA   ALA  27           HA       ALA  27  -7.733   7.124   9.449
  198    HB1  ALA  27           1HB      ALA  27  -8.402   6.795  11.759
  199    HB2  ALA  27           2HB      ALA  27  -7.854   8.418  12.171
  200    HB3  ALA  27           3HB      ALA  27  -6.686   7.194  11.677
  201    H    GLU  28           H        GLU  28  -8.494  10.425   9.965
  202    HA   GLU  28           HA       GLU  28 -11.349  10.072  10.086
  203    HB2  GLU  28           2HB      GLU  28  -9.550  12.471   9.810
  204    HB3  GLU  28           1HB      GLU  28 -11.304  12.599   9.744
  205    HG2  GLU  28           2HG      GLU  28  -9.758  11.435  12.047
  206    HG3  GLU  28           1HG      GLU  28 -10.360  13.092  11.969
  207    H    ASP  29           H        ASP  29  -8.982  10.195   7.649
  208    HA   ASP  29           HA       ASP  29 -10.727  11.136   5.562
  209    HB2  ASP  29           2HB      ASP  29  -7.965   9.888   5.468
  210    HB3  ASP  29           1HB      ASP  29  -8.816  10.556   4.081
  211    H    GLU  30           H        GLU  30 -12.433   9.795   5.340
  212    HA   GLU  30           HA       GLU  30 -12.402   7.033   5.820
  213    HB2  GLU  30           2HB      GLU  30 -14.427   8.519   5.827
  214    HB3  GLU  30           1HB      GLU  30 -14.360   8.526   4.070
  215    HG2  GLU  30           2HG      GLU  30 -14.447   5.959   4.286
  216    HG3  GLU  30           1HG      GLU  30 -15.016   6.277   5.924
  217    H    LEU  31           H        LEU  31 -11.797   8.907   2.942
  218    HA   LEU  31           HA       LEU  31 -12.115   6.963   0.984
  219    HB2  LEU  31           2HB      LEU  31 -11.700   9.471   0.763
  220    HB3  LEU  31           1HB      LEU  31 -10.007   9.127   1.012
  221    HG   LEU  31           HG       LEU  31 -11.049   9.429  -1.405
  222   HD11  LEU  31          1HD1      LEU  31  -8.961   7.378  -0.711
  223   HD12  LEU  31          2HD1      LEU  31  -8.699   9.109  -0.932
  224   HD13  LEU  31          3HD1      LEU  31  -9.198   8.109  -2.297
  225   HD21  LEU  31          3HD2      LEU  31 -11.515   7.298  -2.471
  226   HD22  LEU  31          1HD2      LEU  31 -12.662   7.604  -1.168
  227   HD23  LEU  31          2HD2      LEU  31 -11.335   6.467  -0.928
  228    H    LEU  32           H        LEU  32  -9.350   7.751   3.043
  229    HA   LEU  32           HA       LEU  32  -7.492   5.970   1.949
  230    HB2  LEU  32           2HB      LEU  32  -7.411   7.986   3.709
  231    HB3  LEU  32           1HB      LEU  32  -7.473   6.653   4.845
  232    HG   LEU  32           HG       LEU  32  -5.481   5.699   3.709
  233   HD11  LEU  32          1HD1      LEU  32  -5.458   8.379   2.342
  234   HD12  LEU  32          2HD1      LEU  32  -5.677   6.811   1.565
  235   HD13  LEU  32          3HD1      LEU  32  -4.134   7.215   2.317
  236   HD21  LEU  32          3HD2      LEU  32  -3.899   7.214   4.758
  237   HD22  LEU  32          1HD2      LEU  32  -5.305   6.953   5.788
  238   HD23  LEU  32          2HD2      LEU  32  -5.154   8.448   4.866
  239    H    LEU  33           H        LEU  33  -9.813   5.739   4.588
  240    HA   LEU  33           HA       LEU  33  -9.058   3.171   5.506
  241    HB2  LEU  33           2HB      LEU  33 -10.506   5.094   6.558
  242    HB3  LEU  33           1HB      LEU  33 -11.828   4.213   5.825
  243    HG   LEU  33           HG       LEU  33 -11.424   3.677   8.225
  244   HD11  LEU  33          1HD1      LEU  33 -11.623   1.253   7.985
  245   HD12  LEU  33          2HD1      LEU  33 -11.101   1.383   6.305
  246   HD13  LEU  33          3HD1      LEU  33 -12.625   2.111   6.813
  247   HD21  LEU  33          3HD2      LEU  33  -9.549   2.324   8.875
  248   HD22  LEU  33          1HD2      LEU  33  -8.963   3.819   8.146
  249   HD23  LEU  33          2HD2      LEU  33  -8.935   2.316   7.223
  250    H    ASN  34           H        ASN  34 -11.614   4.301   3.322
  251    HA   ASN  34           HA       ASN  34 -12.909   1.876   2.873
  252    HB2  ASN  34           2HB      ASN  34 -12.501   4.226   1.016
  253    HB3  ASN  34           1HB      ASN  34 -13.562   2.872   0.647
  254   HD21  ASN  34          1HD2      ASN  34 -14.094   5.735   1.040
  255   HD22  ASN  34          2HD2      ASN  34 -15.306   5.820   2.283
  256    H    GLN  35           H        GLN  35 -10.160   3.310   1.173
  257    HA   GLN  35           HA       GLN  35  -9.916   1.266  -0.764
  258    HB2  GLN  35           2HB      GLN  35  -7.985   3.303   0.316
  259    HB3  GLN  35           1HB      GLN  35  -7.533   2.172  -0.946
  260    HG2  GLN  35           2HG      GLN  35  -8.915   3.126  -2.508
  261    HG3  GLN  35           1HG      GLN  35  -9.993   3.812  -1.296
  262   HE21  GLN  35          1HE2      GLN  35  -8.110   5.151   0.291
  263   HE22  GLN  35          2HE2      GLN  35  -7.440   6.442  -0.631
  264    H    MET  36           H        MET  36  -8.358   1.765   2.389
  265    HA   MET  36           HA       MET  36  -6.998  -0.799   2.118
  266    HB2  MET  36           2HB      MET  36  -6.795   1.388   4.172
  267    HB3  MET  36           1HB      MET  36  -6.016  -0.177   4.366
  268    HG2  MET  36           2HG      MET  36  -5.516   1.883   2.249
  269    HG3  MET  36           1HG      MET  36  -4.397   1.282   3.471
  270    HE1  MET  36           3HE      MET  36  -3.215  -1.225   3.305
  271    HE2  MET  36           1HE      MET  36  -3.869  -2.436   2.204
  272    HE3  MET  36           2HE      MET  36  -4.885  -1.767   3.483
  273    H    GLY  37           H        GLY  37 -10.008  -0.155   2.798
  274    HA2  GLY  37           2HA      GLY  37 -10.137  -2.421   4.681
  275    HA3  GLY  37           1HA      GLY  37 -11.479  -1.347   4.288
  276    H    LYS  38           H        LYS  38 -10.879  -1.317   1.477
  277    HA   LYS  38           HA       LYS  38 -12.416  -3.537   0.622
  278    HB2  LYS  38           2HB      LYS  38 -12.391  -1.281  -0.449
  279    HB3  LYS  38           1HB      LYS  38 -10.765  -1.626  -1.027
  280    HG2  LYS  38           2HG      LYS  38 -12.283  -2.022  -2.819
  281    HG3  LYS  38           1HG      LYS  38 -11.695  -3.586  -2.255
  282    HD2  LYS  38           2HD      LYS  38 -13.741  -3.897  -0.961
  283    HD3  LYS  38           1HD      LYS  38 -14.329  -2.324  -1.499
  284    HE2  LYS  38           2HE      LYS  38 -14.245  -3.136  -3.832
  285    HE3  LYS  38           1HE      LYS  38 -13.757  -4.721  -3.235
  286    HZ1  LYS  38           3HZ      LYS  38 -16.316  -3.336  -2.660
  287    HZ2  LYS  38           1HZ      LYS  38 -15.850  -4.813  -1.982
  288    HZ3  LYS  38           2HZ      LYS  38 -16.109  -4.690  -3.648
  289    H    VAL  39           H        VAL  39  -9.075  -2.577  -0.265
  290    HA   VAL  39           HA       VAL  39  -8.626  -5.296  -1.259
  291    HB   VAL  39           HB       VAL  39  -6.510  -4.410  -2.180
  292   HG11  VAL  39          1HG1      VAL  39  -8.515  -4.341  -3.542
  293   HG12  VAL  39          2HG1      VAL  39  -7.508  -2.931  -3.866
  294   HG13  VAL  39          3HG1      VAL  39  -8.949  -2.774  -2.862
  295   HG21  VAL  39          3HG2      VAL  39  -6.061  -1.998  -2.130
  296   HG22  VAL  39          1HG2      VAL  39  -6.024  -2.700  -0.512
  297   HG23  VAL  39          2HG2      VAL  39  -7.426  -1.769  -1.039
  298    H    ASN  40           H        ASN  40  -8.927  -5.286   1.415
  299    HA   ASN  40           HA       ASN  40  -6.209  -5.557   2.483
  300    HB2  ASN  40           2HB      ASN  40  -6.905  -3.344   3.072
  301    HB3  ASN  40           1HB      ASN  40  -8.450  -3.934   3.678
  302   HD21  ASN  40          1HD2      ASN  40  -5.007  -3.985   4.152
  303   HD22  ASN  40          2HD2      ASN  40  -5.033  -4.332   5.847
  304    H    ASP  41           H        ASP  41  -9.490  -6.602   2.426
  305    HA   ASP  41           HA       ASP  41  -9.613  -7.867   4.942
  306    HB2  ASP  41           2HB      ASP  41 -11.637  -7.385   3.677
  307    HB3  ASP  41           1HB      ASP  41 -11.122  -8.469   2.387
  308    H    THR  42           H        THR  42  -8.743  -9.084   1.735
  309    HA   THR  42           HA       THR  42  -7.249 -11.209   3.071
  310    HB   THR  42           HB       THR  42  -9.179 -12.381   2.345
  311    HG1  THR  42           1HG      THR  42  -7.683 -13.777   1.792
  312   HG21  THR  42          3HG2      THR  42 -10.101 -10.778   0.775
  313   HG22  THR  42          1HG2      THR  42  -9.986 -12.368   0.022
  314   HG23  THR  42          2HG2      THR  42  -8.802 -11.121  -0.369
  315    HA   PRO  43           HA       PRO  43  -4.606  -9.136  -0.008
  316    HB2  PRO  43           2HB      PRO  43  -2.755  -8.181   1.701
  317    HB3  PRO  43           1HB      PRO  43  -4.286  -7.351   1.413
  318    HG2  PRO  43           2HG      PRO  43  -3.400  -8.890   3.777
  319    HG3  PRO  43           1HG      PRO  43  -4.613  -7.612   3.654
  320    HD2  PRO  43           2HD      PRO  43  -5.031 -10.438   3.733
  321    HD3  PRO  43           1HD      PRO  43  -6.249  -9.161   3.575
  322    H    GLU  44           H        GLU  44  -4.545 -11.898   1.541
  323    HA   GLU  44           HA       GLU  44  -3.326 -13.796   1.394
  324    HB2  GLU  44           2HB      GLU  44  -2.738 -13.088  -0.892
  325    HB3  GLU  44           1HB      GLU  44  -1.367 -12.194  -0.253
  326    HG2  GLU  44           2HG      GLU  44  -0.646 -14.303  -1.179
  327    HG3  GLU  44           1HG      GLU  44  -0.388 -14.277   0.563
  328    H    GLU  45           H        GLU  45  -1.217 -10.983   1.889
  329    HA   GLU  45           HA       GLU  45   0.649 -12.113   3.606
  330    HB2  GLU  45           2HB      GLU  45  -0.521  -9.341   3.462
  331    HB3  GLU  45           1HB      GLU  45   0.756  -9.755   4.594
  332    HG2  GLU  45           2HG      GLU  45   0.984 -10.140   1.629
  333    HG3  GLU  45           1HG      GLU  45   1.491  -8.673   2.468
  334    H    GLU  46           H        GLU  46  -1.827  -9.923   4.819
  335    HA   GLU  46           HA       GLU  46  -2.571 -11.766   6.941
  336    HB2  GLU  46           2HB      GLU  46  -1.387  -9.028   7.454
  337    HB3  GLU  46           1HB      GLU  46  -2.178 -10.017   8.671
  338    HG2  GLU  46           2HG      GLU  46  -0.468 -11.663   8.555
  339    HG3  GLU  46           1HG      GLU  46   0.241 -10.905   7.131
  340    H    GLY  47           H        GLY  47  -3.121  -8.454   7.544
  341    HA2  GLY  47           2HA      GLY  47  -4.969  -7.777   5.568
  342    HA3  GLY  47           1HA      GLY  47  -5.857  -8.451   6.925
  343    H    MET  48           H        MET  48  -5.659  -7.442   8.979
  344    HA   MET  48           HA       MET  48  -5.819  -4.692   8.969
  345    HB2  MET  48           2HB      MET  48  -6.834  -5.755  10.762
  346    HB3  MET  48           1HB      MET  48  -5.417  -6.730  11.118
  347    HG2  MET  48           2HG      MET  48  -5.206  -3.793  11.419
  348    HG3  MET  48           1HG      MET  48  -6.112  -4.696  12.634
  349    HE1  MET  48           3HE      MET  48  -3.343  -2.903  12.905
  350    HE2  MET  48           1HE      MET  48  -2.523  -3.848  14.148
  351    HE3  MET  48           2HE      MET  48  -4.254  -3.527  14.280
  352    HA   PRO  49           HA       PRO  49  -1.262  -4.416  10.493
  353    HB2  PRO  49           2HB      PRO  49   0.051  -6.866   9.566
  354    HB3  PRO  49           1HB      PRO  49   0.035  -6.158  11.185
  355    HG2  PRO  49           2HG      PRO  49  -1.275  -8.439  10.643
  356    HG3  PRO  49           1HG      PRO  49  -1.922  -7.246  11.784
  357    HD2  PRO  49           2HD      PRO  49  -2.605  -7.652   8.893
  358    HD3  PRO  49           1HD      PRO  49  -3.704  -7.503  10.265
  359    H    LEU  50           H        LEU  50  -2.015  -6.169   7.565
  360    HA   LEU  50           HA       LEU  50   0.011  -5.274   5.863
  361    HB2  LEU  50           2HB      LEU  50  -1.777  -7.018   5.404
  362    HB3  LEU  50           1HB      LEU  50  -2.898  -5.704   5.128
  363    HG   LEU  50           HG       LEU  50  -2.047  -6.730   3.045
  364   HD11  LEU  50          1HD1      LEU  50  -1.191  -3.868   3.410
  365   HD12  LEU  50          2HD1      LEU  50  -2.812  -4.426   2.985
  366   HD13  LEU  50          3HD1      LEU  50  -1.469  -4.680   1.868
  367   HD21  LEU  50          3HD2      LEU  50   0.224  -7.231   3.955
  368   HD22  LEU  50          1HD2      LEU  50   0.611  -5.525   3.737
  369   HD23  LEU  50          2HD2      LEU  50   0.202  -6.521   2.340
  370    H    ARG  51           H        ARG  51  -3.110  -3.873   6.728
  371    HA   ARG  51           HA       ARG  51  -2.854  -1.542   5.151
  372    HB2  ARG  51           2HB      ARG  51  -5.016  -2.118   5.815
  373    HB3  ARG  51           1HB      ARG  51  -4.570  -2.275   7.506
  374    HG2  ARG  51           2HG      ARG  51  -4.353   0.119   7.699
  375    HG3  ARG  51           1HG      ARG  51  -4.657   0.315   5.972
  376    HD2  ARG  51           2HD      ARG  51  -6.673   0.812   7.189
  377    HD3  ARG  51           1HD      ARG  51  -6.892  -0.688   6.293
  378    HE   ARG  51           HE       ARG  51  -6.229  -0.677   9.166
  379   HH11  ARG  51          1HH1      ARG  51  -8.215  -1.775   6.485
  380   HH12  ARG  51          2HH1      ARG  51  -9.200  -2.802   7.478
  381   HH21  ARG  51          1HH2      ARG  51  -7.516  -2.022  10.463
  382   HH22  ARG  51          2HH2      ARG  51  -8.801  -2.944   9.746
  383    H    ALA  52           H        ALA  52  -2.257  -2.142   8.592
  384    HA   ALA  52           HA       ALA  52  -1.575   0.459   9.296
  385    HB1  ALA  52           1HB      ALA  52  -0.497  -0.519  11.250
  386    HB2  ALA  52           2HB      ALA  52  -0.529  -2.109  10.488
  387    HB3  ALA  52           3HB      ALA  52  -2.040  -1.307  10.924
  388    H    TRP  53           H        TRP  53   0.584  -2.204   8.230
  389    HA   TRP  53           HA       TRP  53   2.890  -0.544   8.484
  390    HB2  TRP  53           2HB      TRP  53   4.180  -2.367   7.872
  391    HB3  TRP  53           1HB      TRP  53   2.767  -3.129   8.570
  392    HD1  TRP  53           HD       TRP  53   1.547  -4.869   7.163
  393    HE1  TRP  53           1HE      TRP  53   1.804  -5.782   4.779
  394    HE3  TRP  53           3HE      TRP  53   4.931  -1.494   5.341
  395    HZ2  TRP  53           2HZ      TRP  53   3.227  -5.162   2.435
  396    HZ3  TRP  53           3HZ      TRP  53   5.696  -1.737   3.018
  397    HH2  TRP  53           HH       TRP  53   4.860  -3.538   1.595
  398    H    VAL  54           H        VAL  54   0.779  -1.418   5.795
  399    HA   VAL  54           HA       VAL  54   2.514  -0.356   3.813
  400    HB   VAL  54           HB       VAL  54   0.434  -2.016   3.648
  401   HG11  VAL  54          1HG1      VAL  54  -1.422  -0.955   2.447
  402   HG12  VAL  54          2HG1      VAL  54  -0.721   0.625   2.790
  403   HG13  VAL  54          3HG1      VAL  54  -1.284  -0.395   4.114
  404   HG21  VAL  54          3HG2      VAL  54   2.115  -1.711   1.943
  405   HG22  VAL  54          1HG2      VAL  54   1.384  -0.184   1.452
  406   HG23  VAL  54          2HG2      VAL  54   0.511  -1.698   1.210
  407    H    ILE  55           H        ILE  55  -0.379   0.946   5.460
  408    HA   ILE  55           HA       ILE  55  -0.324   3.473   4.234
  409    HB   ILE  55           HB       ILE  55  -1.315   2.604   6.944
  410   HG12  ILE  55          2HG1      ILE  55  -2.715   3.274   4.357
  411   HG13  ILE  55          1HG1      ILE  55  -2.503   1.667   5.050
  412   HG21  ILE  55          1HG2      ILE  55  -2.498   4.716   7.113
  413   HG22  ILE  55          2HG2      ILE  55  -1.714   5.281   5.636
  414   HG23  ILE  55          3HG2      ILE  55  -0.752   4.957   7.080
  415   HD11  ILE  55          3HD1      ILE  55  -4.104   3.912   6.260
  416   HD12  ILE  55          1HD1      ILE  55  -3.899   2.299   6.944
  417   HD13  ILE  55          2HD1      ILE  55  -4.755   2.507   5.416
  418    H    LYS  56           H        LYS  56   1.354   2.228   7.092
  419    HA   LYS  56           HA       LYS  56   2.492   4.688   7.891
  420    HB2  LYS  56           2HB      LYS  56   2.370   2.744   9.381
  421    HB3  LYS  56           1HB      LYS  56   3.493   1.872   8.347
  422    HG2  LYS  56           2HG      LYS  56   5.241   3.483   8.860
  423    HG3  LYS  56           1HG      LYS  56   4.114   4.396   9.864
  424    HD2  LYS  56           2HD      LYS  56   3.865   2.482  11.348
  425    HD3  LYS  56           1HD      LYS  56   4.957   1.538  10.333
  426    HE2  LYS  56           2HE      LYS  56   5.719   4.108  11.700
  427    HE3  LYS  56           1HE      LYS  56   6.010   2.509  12.382
  428    HZ1  LYS  56           3HZ      LYS  56   7.966   3.334  11.263
  429    HZ2  LYS  56           1HZ      LYS  56   7.110   3.544   9.816
  430    HZ3  LYS  56           2HZ      LYS  56   7.364   1.988  10.438
  431    H    CYS  57           H        CYS  57   3.708   2.076   5.815
  432    HA   CYS  57           HA       CYS  57   6.285   3.159   5.444
  433    HB2  CYS  57           2HB      CYS  57   5.575   0.793   4.936
  434    HB3  CYS  57           1HB      CYS  57   4.785   1.408   3.490
  435    HG   CYS  57           HG       CYS  57   8.101   1.116   4.148
  436    H    ALA  58           H        ALA  58   3.313   3.428   3.519
  437    HA   ALA  58           HA       ALA  58   4.384   5.076   1.497
  438    HB1  ALA  58           1HB      ALA  58   1.542   4.962   2.504
  439    HB2  ALA  58           2HB      ALA  58   2.239   3.896   1.287
  440    HB3  ALA  58           3HB      ALA  58   2.076   5.621   0.959
  441    H    HIS  59           H        HIS  59   2.970   5.752   4.632
  442    HA   HIS  59           HA       HIS  59   2.717   8.533   4.458
  443    HB2  HIS  59           2HB      HIS  59   1.920   6.864   6.283
  444    HB3  HIS  59           1HB      HIS  59   3.514   7.098   6.985
  445    HD1  HIS  59           1HD      HIS  59   1.108   7.889   8.612
  446    HD2  HIS  59           2HD      HIS  59   3.038  10.502   6.030
  447    HE1  HIS  59           1HE      HIS  59   0.484  10.193   9.397
  448    HE2  HIS  59           2HE      HIS  59   1.849  11.747   7.960
  449    H    GLU  60           H        GLU  60   5.391   6.549   5.704
  450    HA   GLU  60           HA       GLU  60   7.082   8.752   6.296
  451    HB2  GLU  60           2HB      GLU  60   7.788   5.841   5.872
  452    HB3  GLU  60           1HB      GLU  60   8.838   7.051   6.597
  453    HG2  GLU  60           2HG      GLU  60   7.170   7.361   8.394
  454    HG3  GLU  60           1HG      GLU  60   6.218   6.056   7.690
  455    H    ALA  61           H        ALA  61   6.688   6.684   3.480
  456    HA   ALA  61           HA       ALA  61   9.019   7.558   2.112
  457    HB1  ALA  61           1HB      ALA  61   6.476   6.393   0.973
  458    HB2  ALA  61           2HB      ALA  61   7.870   5.472   1.537
  459    HB3  ALA  61           3HB      ALA  61   8.022   6.529   0.135
  460    H    LEU  62           H        LEU  62   5.666   8.628   2.121
  461    HA   LEU  62           HA       LEU  62   5.949  10.386  -0.096
  462    HB2  LEU  62           2HB      LEU  62   3.879   9.275   0.568
  463    HB3  LEU  62           1HB      LEU  62   3.812  10.236   2.028
  464    HG   LEU  62           HG       LEU  62   2.212  10.974   0.318
  465   HD11  LEU  62          1HD1      LEU  62   4.365  13.020   0.784
  466   HD12  LEU  62          2HD1      LEU  62   3.051  12.629   1.892
  467   HD13  LEU  62          3HD1      LEU  62   2.695  13.346   0.320
  468   HD21  LEU  62          3HD2      LEU  62   3.409  10.340  -1.663
  469   HD22  LEU  62          1HD2      LEU  62   4.642  11.562  -1.346
  470   HD23  LEU  62          2HD2      LEU  62   2.990  12.051  -1.727
  471    H    GLU  63           H        GLU  63   5.836  10.965   3.453
  472    HA   GLU  63           HA       GLU  63   5.974  13.801   3.070
  473    HB2  GLU  63           2HB      GLU  63   6.473  12.096   5.513
  474    HB3  GLU  63           1HB      GLU  63   6.537  13.851   5.530
  475    HG2  GLU  63           2HG      GLU  63   4.166  13.806   4.656
  476    HG3  GLU  63           1HG      GLU  63   4.167  12.083   5.041
  477    H    LYS  64           H        LYS  64   8.368  11.295   3.317
  478    HA   LYS  64           HA       LYS  64  10.504  13.163   3.976
  479    HB2  LYS  64           2HB      LYS  64  10.466  10.884   4.951
  480    HB3  LYS  64           1HB      LYS  64  10.599  10.205   3.336
  481    HG2  LYS  64           2HG      LYS  64  12.793  11.204   3.071
  482    HG3  LYS  64           1HG      LYS  64  12.655  11.956   4.659
  483    HD2  LYS  64           2HD      LYS  64  14.033   9.950   4.768
  484    HD3  LYS  64           1HD      LYS  64  12.553   9.742   5.702
  485    HE2  LYS  64           2HE      LYS  64  12.635   8.832   2.861
  486    HE3  LYS  64           1HE      LYS  64  13.413   7.851   4.099
  487    HZ1  LYS  64           3HZ      LYS  64  11.332   7.667   5.259
  488    HZ2  LYS  64           1HZ      LYS  64  11.108   7.185   3.655
  489    HZ3  LYS  64           2HZ      LYS  64  10.563   8.702   4.166
  490    H    ASN  65           H        ASN  65   8.863  12.069   1.334
  491    HA   ASN  65           HA       ASN  65  10.693  13.247  -0.547
  492    HB2  ASN  65           2HB      ASN  65  11.571  10.966  -0.422
  493    HB3  ASN  65           1HB      ASN  65   9.964  10.304  -0.657
  494   HD21  ASN  65          1HD2      ASN  65   9.083  10.262  -2.659
  495   HD22  ASN  65          2HD2      ASN  65  10.044  10.553  -4.075
  496    HA   PRO  66           HA       PRO  66   6.137  13.530  -1.150
  497    HB2  PRO  66           2HB      PRO  66   5.773  16.129  -0.802
  498    HB3  PRO  66           1HB      PRO  66   6.203  15.110   0.567
  499    HG2  PRO  66           2HG      PRO  66   7.971  16.891  -1.071
  500    HG3  PRO  66           1HG      PRO  66   7.890  16.714   0.693
  501    HD2  PRO  66           2HD      PRO  66   9.723  15.423  -0.932
  502    HD3  PRO  66           1HD      PRO  66   9.242  14.872   0.684
  503    H    LYS  67           H        LYS  67   8.200  13.423  -3.226
  504    HA   LYS  67           HA       LYS  67   6.957  15.157  -5.253
  505    HB2  LYS  67           2HB      LYS  67   9.724  13.942  -5.187
  506    HB3  LYS  67           1HB      LYS  67   9.059  14.831  -6.552
  507    HG2  LYS  67           2HG      LYS  67   8.886  16.831  -5.197
  508    HG3  LYS  67           1HG      LYS  67   9.474  15.949  -3.788
  509    HD2  LYS  67           2HD      LYS  67  11.602  15.555  -4.908
  510    HD3  LYS  67           1HD      LYS  67  11.011  16.392  -6.346
  511    HE2  LYS  67           2HE      LYS  67  11.251  17.651  -3.619
  512    HE3  LYS  67           1HE      LYS  67  12.470  17.786  -4.886
  513    HZ1  LYS  67           3HZ      LYS  67  10.843  18.868  -6.294
  514    HZ2  LYS  67           1HZ      LYS  67  11.002  19.709  -4.836
  515    HZ3  LYS  67           2HZ      LYS  67   9.657  18.719  -5.101
  516    H    ILE  68           H        ILE  68   6.967  12.065  -4.123
  517    HA   ILE  68           HA       ILE  68   6.885  10.718  -6.686
  518    HB   ILE  68           HB       ILE  68   6.090   8.749  -5.262
  519   HG12  ILE  68          2HG1      ILE  68   7.004  10.609  -3.051
  520   HG13  ILE  68          1HG1      ILE  68   5.375   9.996  -3.301
  521   HG21  ILE  68          1HG2      ILE  68   8.778   9.996  -5.242
  522   HG22  ILE  68          2HG2      ILE  68   8.219   8.530  -6.045
  523   HG23  ILE  68          3HG2      ILE  68   8.505   8.530  -4.304
  524   HD11  ILE  68          3HD1      ILE  68   6.515   8.827  -1.503
  525   HD12  ILE  68          1HD1      ILE  68   7.789   8.336  -2.620
  526   HD13  ILE  68          2HD1      ILE  68   6.146   7.738  -2.840
  527    H    ARG  69           H        ARG  69   5.062   9.283  -7.163
  528    HA   ARG  69           HA       ARG  69   2.483  10.245  -6.188
  529    HB2  ARG  69           2HB      ARG  69   1.541  10.337  -8.431
  530    HB3  ARG  69           1HB      ARG  69   2.887  11.455  -8.285
  531    HG2  ARG  69           2HG      ARG  69   4.328   9.938  -9.486
  532    HG3  ARG  69           1HG      ARG  69   3.041   8.730  -9.553
  533    HD2  ARG  69           2HD      ARG  69   1.665  10.277 -10.860
  534    HD3  ARG  69           1HD      ARG  69   2.959  11.474 -10.801
  535    HE   ARG  69           HE       ARG  69   4.148   9.278 -11.874
  536   HH11  ARG  69          1HH1      ARG  69   1.286  11.122 -12.679
  537   HH12  ARG  69          2HH1      ARG  69   1.426  10.836 -14.383
  538   HH21  ARG  69          1HH2      ARG  69   4.327   8.873 -14.108
  539   HH22  ARG  69          2HH2      ARG  69   3.153   9.543 -15.198
  540    H    GLU  70           H        GLU  70   4.579   7.782  -6.896
  541    HA   GLU  70           HA       GLU  70   2.754   5.879  -5.868
  542    HB2  GLU  70           2HB      GLU  70   1.869   5.599  -7.996
  543    HB3  GLU  70           1HB      GLU  70   3.424   5.837  -8.790
  544    HG2  GLU  70           2HG      GLU  70   4.162   3.662  -7.817
  545    HG3  GLU  70           1HG      GLU  70   2.504   3.408  -7.274
  546    H    VAL  71           H        VAL  71   3.805   4.025  -5.102
  547    HA   VAL  71           HA       VAL  71   6.642   3.673  -5.770
  548    HB   VAL  71           HB       VAL  71   7.146   3.079  -3.410
  549   HG11  VAL  71          1HG1      VAL  71   6.172   5.893  -3.855
  550   HG12  VAL  71          2HG1      VAL  71   7.775   5.260  -4.227
  551   HG13  VAL  71          3HG1      VAL  71   7.242   5.383  -2.550
  552   HG21  VAL  71          3HG2      VAL  71   4.927   2.558  -2.613
  553   HG22  VAL  71          1HG2      VAL  71   4.412   4.226  -2.863
  554   HG23  VAL  71          2HG2      VAL  71   5.618   3.851  -1.634
  555    H    TYR  72           H        TYR  72   7.410   1.476  -5.346
  556    HA   TYR  72           HA       TYR  72   5.194  -0.459  -5.507
  557    HB2  TYR  72           2HB      TYR  72   8.002  -0.708  -6.612
  558    HB3  TYR  72           1HB      TYR  72   6.725  -1.910  -6.768
  559    HD1  TYR  72           2HD      TYR  72   4.638  -1.281  -8.079
  560    HD2  TYR  72           1HD      TYR  72   8.194   1.050  -8.150
  561    HE1  TYR  72           2HE      TYR  72   3.883  -0.200 -10.154
  562    HE2  TYR  72           1HE      TYR  72   7.448   2.134 -10.227
  563    HH   TYR  72           HH       TYR  72   4.308   1.982 -11.352
  564    H    LEU  73           H        LEU  73   4.956  -1.727  -3.810
  565    HA   LEU  73           HA       LEU  73   7.224  -1.977  -1.956
  566    HB2  LEU  73           2HB      LEU  73   4.351  -1.465  -1.579
  567    HB3  LEU  73           1HB      LEU  73   5.054  -2.611  -0.454
  568    HG   LEU  73           HG       LEU  73   6.099   0.183  -0.914
  569   HD11  LEU  73          1HD1      LEU  73   4.402  -0.917   1.327
  570   HD12  LEU  73          2HD1      LEU  73   3.876   0.230   0.094
  571   HD13  LEU  73          3HD1      LEU  73   5.112   0.698   1.264
  572   HD21  LEU  73          3HD2      LEU  73   7.328  -0.301   1.199
  573   HD22  LEU  73          1HD2      LEU  73   7.830  -1.305  -0.161
  574   HD23  LEU  73          2HD2      LEU  73   6.778  -1.973   1.083
  575    H    LYS  74           H        LYS  74   7.853  -3.896  -1.216
  576    HA   LYS  74           HA       LYS  74   6.321  -6.274  -2.016
  577    HB2  LYS  74           2HB      LYS  74   8.776  -6.007  -2.732
  578    HB3  LYS  74           1HB      LYS  74   9.181  -6.231  -1.038
  579    HG2  LYS  74           2HG      LYS  74   7.562  -8.236  -2.577
  580    HG3  LYS  74           1HG      LYS  74   9.324  -8.266  -2.542
  581    HD2  LYS  74           2HD      LYS  74   9.293  -8.507  -0.123
  582    HD3  LYS  74           1HD      LYS  74   7.533  -8.395  -0.115
  583    HE2  LYS  74           2HE      LYS  74   7.352 -10.434  -1.374
  584    HE3  LYS  74           1HE      LYS  74   9.108 -10.539  -1.520
  585    HZ1  LYS  74           3HZ      LYS  74   7.506 -10.752   0.971
  586    HZ2  LYS  74           1HZ      LYS  74   9.195 -10.658   0.933
  587    HZ3  LYS  74           2HZ      LYS  74   8.412 -11.972   0.225
  588    HA   PRO  75           HA       PRO  75   5.037  -6.103   2.169
  589    HB2  PRO  75           2HB      PRO  75   3.640  -8.407   2.271
  590    HB3  PRO  75           1HB      PRO  75   3.073  -6.971   1.411
  591    HG2  PRO  75           2HG      PRO  75   4.424  -9.412   0.336
  592    HG3  PRO  75           1HG      PRO  75   3.035  -8.524  -0.314
  593    HD2  PRO  75           2HD      PRO  75   5.550  -8.212  -1.280
  594    HD3  PRO  75           1HD      PRO  75   4.353  -6.906  -1.274
  595    H    ARG  76           H        ARG  76   4.702  -7.871   4.034
  596    HA   ARG  76           HA       ARG  76   7.364  -8.052   4.962
  597    HB2  ARG  76           2HB      ARG  76   5.032  -9.424   6.259
  598    HB3  ARG  76           1HB      ARG  76   6.441  -8.709   7.023
  599    HG2  ARG  76           2HG      ARG  76   5.664  -6.490   6.542
  600    HG3  ARG  76           1HG      ARG  76   4.321  -7.122   5.591
  601    HD2  ARG  76           2HD      ARG  76   3.455  -6.483   7.712
  602    HD3  ARG  76           1HD      ARG  76   3.494  -8.245   7.670
  603    HE   ARG  76           HE       ARG  76   5.804  -6.988   8.872
  604   HH11  ARG  76          1HH1      ARG  76   2.637  -8.405   9.392
  605   HH12  ARG  76          2HH1      ARG  76   2.904  -8.660  11.090
  606   HH21  ARG  76          1HH2      ARG  76   6.147  -7.339  11.105
  607   HH22  ARG  76          2HH2      ARG  76   4.902  -8.072  12.059
  608    H    ALA  77           H        ALA  77   4.940 -10.555   4.242
  609    HA   ALA  77           HA       ALA  77   6.448 -12.717   5.188
  610    HB1  ALA  77           1HB      ALA  77   4.239 -12.685   3.143
  611    HB2  ALA  77           2HB      ALA  77   4.050 -12.837   4.890
  612    HB3  ALA  77           3HB      ALA  77   4.844 -14.118   3.973
  613    H    VAL  78           H        VAL  78   8.384 -13.172   4.496
  614    HA   VAL  78           HA       VAL  78   9.333 -12.774   1.855
  615    HB   VAL  78           HB       VAL  78  10.478 -14.565   4.010
  616   HG11  VAL  78          1HG1      VAL  78  12.598 -14.300   2.813
  617   HG12  VAL  78          2HG1      VAL  78  11.769 -13.386   1.554
  618   HG13  VAL  78          3HG1      VAL  78  11.380 -15.087   1.810
  619   HG21  VAL  78          3HG2      VAL  78  11.115 -11.695   3.339
  620   HG22  VAL  78          1HG2      VAL  78  11.925 -12.679   4.556
  621   HG23  VAL  78          2HG2      VAL  78  10.227 -12.247   4.758
  622    H    LYS  79           H        LYS  79   7.992 -15.558   3.548
  623    HA   LYS  79           HA       LYS  79   8.580 -17.444   1.500
  624    HB2  LYS  79           2HB      LYS  79   8.208 -18.161   3.799
  625    HB3  LYS  79           1HB      LYS  79   6.564 -17.551   3.750
  626    HG2  LYS  79           2HG      LYS  79   6.610 -19.965   3.528
  627    HG3  LYS  79           1HG      LYS  79   5.982 -19.211   2.064
  628    HD2  LYS  79           2HD      LYS  79   7.486 -21.001   1.464
  629    HD3  LYS  79           1HD      LYS  79   8.214 -19.457   1.024
  630    HE2  LYS  79           2HE      LYS  79   9.854 -20.952   2.037
  631    HE3  LYS  79           1HE      LYS  79   9.593 -19.524   3.036
  632    HZ1  LYS  79           3HZ      LYS  79   9.689 -21.627   4.301
  633    HZ2  LYS  79           1HZ      LYS  79   8.287 -22.146   3.509
  634    HZ3  LYS  79           2HZ      LYS  79   8.236 -20.792   4.518
  635    H    ASN  80           H        ASN  80   6.031 -15.147   1.989
  636    HA   ASN  80           HA       ASN  80   4.069 -16.321   0.328
  637    HB2  ASN  80           2HB      ASN  80   3.735 -14.430   1.970
  638    HB3  ASN  80           1HB      ASN  80   4.466 -13.366   0.772
  639   HD21  ASN  80          1HD2      ASN  80   2.457 -12.230   0.854
  640   HD22  ASN  80          2HD2      ASN  80   1.120 -12.816  -0.085
  641    H    SER  81           H        SER  81   6.695 -14.035  -0.318
  642    HA   SER  81           HA       SER  81   8.102 -13.939  -2.077
  643    HB2  SER  81           2HB      SER  81   8.070 -16.372  -2.028
  644    HB3  SER  81           1HB      SER  81   6.620 -16.391  -3.027
  645    HG   SER  81           HG       SER  81   8.138 -16.620  -4.510
  646    H    SER  82           H        SER  82   5.508 -15.247  -4.085
  647    HA   SER  82           HA       SER  82   5.968 -13.091  -5.935
  648    HB2  SER  82           2HB      SER  82   4.082 -15.449  -6.122
  649    HB3  SER  82           1HB      SER  82   4.543 -14.378  -7.447
  650    HG   SER  82           HG       SER  82   6.803 -15.107  -6.634
  651    H    VAL  83           H        VAL  83   5.101 -11.651  -4.122
  652    HA   VAL  83           HA       VAL  83   2.352 -10.971  -4.851
  653    HB   VAL  83           HB       VAL  83   2.103 -12.155  -2.758
  654   HG11  VAL  83          1HG1      VAL  83   3.250 -11.420  -0.709
  655   HG12  VAL  83          2HG1      VAL  83   4.201 -10.287  -1.669
  656   HG13  VAL  83          3HG1      VAL  83   4.368 -12.023  -1.933
  657   HG21  VAL  83          3HG2      VAL  83   1.116 -10.402  -1.352
  658   HG22  VAL  83          1HG2      VAL  83   0.695 -10.191  -3.052
  659   HG23  VAL  83          2HG2      VAL  83   1.934  -9.173  -2.317
  660    H    GLN  84           H        GLN  84   2.151  -8.863  -5.296
  661    HA   GLN  84           HA       GLN  84   4.276  -7.040  -4.374
  662    HB2  GLN  84           2HB      GLN  84   2.988  -6.967  -7.110
  663    HB3  GLN  84           1HB      GLN  84   4.291  -5.941  -6.532
  664    HG2  GLN  84           2HG      GLN  84   4.446  -8.904  -7.023
  665    HG3  GLN  84           1HG      GLN  84   5.119  -7.638  -8.046
  666   HE21  GLN  84          1HE2      GLN  84   6.444  -9.857  -6.731
  667   HE22  GLN  84          2HE2      GLN  84   7.656  -9.162  -5.714
  668    H    PHE  85           H        PHE  85   3.578  -5.112  -3.610
  669    HA   PHE  85           HA       PHE  85   0.740  -4.467  -4.026
  670    HB2  PHE  85           2HB      PHE  85   2.511  -3.970  -1.643
  671    HB3  PHE  85           1HB      PHE  85   1.036  -3.047  -1.914
  672    HD1  PHE  85           2HD      PHE  85  -1.145  -4.127  -1.810
  673    HD2  PHE  85           1HD      PHE  85   2.429  -6.260  -0.940
  674    HE1  PHE  85           2HE      PHE  85  -2.471  -5.907  -0.752
  675    HE2  PHE  85           1HE      PHE  85   1.110  -8.046   0.120
  676    HZ   PHE  85           HZ       PHE  85  -1.342  -7.870   0.215
  677    H    HIS  86           H        HIS  86   0.349  -2.779  -5.198
  678    HA   HIS  86           HA       HIS  86   2.515  -0.889  -5.776
  679    HB2  HIS  86           2HB      HIS  86  -0.193  -1.298  -7.071
  680    HB3  HIS  86           1HB      HIS  86   0.940  -0.036  -7.533
  681    HD1  HIS  86           1HD      HIS  86   1.878  -0.676  -9.707
  682    HD2  HIS  86           2HD      HIS  86   1.549  -3.930  -7.150
  683    HE1  HIS  86           1HE      HIS  86   2.845  -2.626 -10.967
  684    HE2  HIS  86           2HE      HIS  86   2.377  -4.621  -9.493
  685    H    VAL  87           H        VAL  87   2.592   0.715  -4.277
  686    HA   VAL  87           HA       VAL  87   0.055   1.784  -3.312
  687    HB   VAL  87           HB       VAL  87   2.911   2.383  -2.521
  688   HG11  VAL  87          1HG1      VAL  87   1.649   4.462  -2.461
  689   HG12  VAL  87          2HG1      VAL  87   1.975   3.896  -0.823
  690   HG13  VAL  87          3HG1      VAL  87   0.373   3.678  -1.530
  691   HG21  VAL  87          3HG2      VAL  87   2.184   1.516  -0.343
  692   HG22  VAL  87          1HG2      VAL  87   1.991   0.313  -1.621
  693   HG23  VAL  87          2HG2      VAL  87   0.586   1.192  -1.014
  694    H    ILE  88           H        ILE  88  -0.879   3.079  -4.680
  695    HA   ILE  88           HA       ILE  88   0.730   4.948  -6.246
  696    HB   ILE  88           HB       ILE  88  -2.172   4.126  -6.472
  697   HG12  ILE  88          2HG1      ILE  88  -1.279   3.574  -8.859
  698   HG13  ILE  88          1HG1      ILE  88   0.306   3.614  -8.087
  699   HG21  ILE  88          1HG2      ILE  88  -2.005   6.492  -6.953
  700   HG22  ILE  88          2HG2      ILE  88  -2.317   5.577  -8.429
  701   HG23  ILE  88          3HG2      ILE  88  -0.696   6.184  -8.095
  702   HD11  ILE  88          3HD1      ILE  88  -1.994   1.832  -7.325
  703   HD12  ILE  88          1HD1      ILE  88  -0.411   1.864  -6.550
  704   HD13  ILE  88          2HD1      ILE  88  -0.558   1.356  -8.232
  705    H    PHE  89           H        PHE  89   0.513   7.115  -6.007
  706    HA   PHE  89           HA       PHE  89  -0.964   7.951  -3.636
  707    HB2  PHE  89           2HB      PHE  89   1.333   9.180  -5.141
  708    HB3  PHE  89           1HB      PHE  89   0.440  10.043  -3.905
  709    HD1  PHE  89           1HD      PHE  89   0.269   9.039  -1.612
  710    HD2  PHE  89           2HD      PHE  89   3.012   7.655  -4.554
  711    HE1  PHE  89           1HE      PHE  89   1.563   7.900   0.136
  712    HE2  PHE  89           2HE      PHE  89   4.314   6.520  -2.806
  713    HZ   PHE  89           HZ       PHE  89   3.569   6.642  -0.469
  714    H    ASP  90           H        ASP  90  -2.893   8.719  -4.020
  715    HA   ASP  90           HA       ASP  90  -3.775   9.279  -6.685
  716    HB2  ASP  90           2HB      ASP  90  -5.130   8.158  -4.830
  717    HB3  ASP  90           1HB      ASP  90  -5.322   9.763  -4.137
  718    H    GLU  91           H        GLU  91  -4.560  11.284  -7.475
  719    HA   GLU  91           HA       GLU  91  -2.752  13.349  -6.609
  720    HB2  GLU  91           2HB      GLU  91  -3.415  12.620  -9.032
  721    HB3  GLU  91           1HB      GLU  91  -4.801  13.669  -8.784
  722    HG2  GLU  91           2HG      GLU  91  -1.947  14.572  -8.508
  723    HG3  GLU  91           1HG      GLU  91  -2.887  14.706  -9.993
  724    H    GLU  92           H        GLU  92  -3.241  14.695  -5.103
  725    HA   GLU  92           HA       GLU  92  -5.783  15.984  -4.809
  726    HB2  GLU  92           2HB      GLU  92  -4.952  13.722  -3.028
  727    HB3  GLU  92           1HB      GLU  92  -5.794  15.092  -2.313
  728    HG2  GLU  92           2HG      GLU  92  -6.881  13.604  -4.677
  729    HG3  GLU  92           1HG      GLU  92  -7.182  13.092  -3.019
  Start of MODEL   11
    1    H1   GLY   1           1HT      GLY   1  11.655 -23.667 -11.090
    2    H2   GLY   1           2HT      GLY   1  11.562 -22.534  -9.842
    3    H3   GLY   1           3HT      GLY   1  12.481 -22.199 -11.219
    4    HA2  GLY   1           1HA      GLY   1  10.503 -22.167 -12.587
    5    HA3  GLY   1           2HA      GLY   1   9.538 -22.548 -11.169
    6    H    SER   2           H        SER   2   8.386 -20.562 -11.773
    7    HA   SER   2           HA       SER   2   9.634 -18.028 -11.647
    8    HB2  SER   2           2HB      SER   2   6.731 -18.734 -11.154
    9    HB3  SER   2           1HB      SER   2   7.362 -17.140 -11.561
   10    HG   SER   2           HG       SER   2   8.181 -18.198 -13.533
   11    H    ALA   3           H        ALA   3   7.459 -19.623  -9.301
   12    HA   ALA   3           HA       ALA   3   9.107 -18.827  -7.094
   13    HB1  ALA   3           1HB      ALA   3   6.389 -17.551  -7.368
   14    HB2  ALA   3           2HB      ALA   3   7.938 -16.721  -7.514
   15    HB3  ALA   3           3HB      ALA   3   7.460 -17.429  -5.972
   16    H    MET   4           H        MET   4   8.899 -20.288  -5.531
   17    HA   MET   4           HA       MET   4   7.012 -22.414  -5.794
   18    HB2  MET   4           2HB      MET   4   8.020 -23.235  -3.660
   19    HB3  MET   4           1HB      MET   4   9.189 -22.942  -4.939
   20    HG2  MET   4           2HG      MET   4   9.710 -20.758  -3.894
   21    HG3  MET   4           1HG      MET   4   8.633 -21.182  -2.564
   22    HE1  MET   4           3HE      MET   4  12.204 -21.505  -0.967
   23    HE2  MET   4           1HE      MET   4  10.642 -20.692  -0.896
   24    HE3  MET   4           2HE      MET   4  11.749 -20.355  -2.224
   25    H    GLY   5           H        GLY   5   5.048 -22.581  -4.971
   26    HA2  GLY   5           2HA      GLY   5   3.431 -22.387  -3.247
   27    HA3  GLY   5           1HA      GLY   5   4.332 -21.024  -2.594
   28    H    HIS   6           H        HIS   6   4.635 -19.669  -5.110
   29    HA   HIS   6           HA       HIS   6   1.900 -19.038  -5.902
   30    HB2  HIS   6           2HB      HIS   6   3.784 -17.122  -4.557
   31    HB3  HIS   6           1HB      HIS   6   2.573 -16.538  -5.692
   32    HD1  HIS   6           1HD      HIS   6   3.003 -17.743  -2.219
   33    HD2  HIS   6           2HD      HIS   6  -0.122 -16.897  -4.827
   34    HE1  HIS   6           1HE      HIS   6   0.948 -17.580  -0.783
   35    HE2  HIS   6           2HE      HIS   6  -0.884 -16.848  -2.351
   36    H    MET   7           H        MET   7   2.674 -20.076  -7.852
   37    HA   MET   7           HA       MET   7   4.784 -18.996  -9.378
   38    HB2  MET   7           2HB      MET   7   2.424 -20.700 -10.133
   39    HB3  MET   7           1HB      MET   7   3.583 -20.141 -11.329
   40    HG2  MET   7           2HG      MET   7   4.259 -21.773  -8.893
   41    HG3  MET   7           1HG      MET   7   4.038 -22.418 -10.518
   42    HE1  MET   7           3HE      MET   7   6.442 -23.575 -10.370
   43    HE2  MET   7           1HE      MET   7   6.621 -22.926  -8.739
   44    HE3  MET   7           2HE      MET   7   7.909 -22.703  -9.922
   45    HA   PRO   8           HA       PRO   8   1.453 -16.305 -11.625
   46    HB2  PRO   8           2HB      PRO   8  -0.750 -16.105  -9.697
   47    HB3  PRO   8           1HB      PRO   8  -0.809 -16.438 -11.430
   48    HG2  PRO   8           2HG      PRO   8  -1.354 -18.334  -9.606
   49    HG3  PRO   8           1HG      PRO   8  -0.546 -18.708 -11.139
   50    HD2  PRO   8           2HD      PRO   8   0.642 -18.366  -8.407
   51    HD3  PRO   8           1HD      PRO   8   1.000 -19.587  -9.647
   52    H    ALA   9           H        ALA   9   2.024 -14.240 -11.466
   53    HA   ALA   9           HA       ALA   9   2.798 -13.171  -8.886
   54    HB1  ALA   9           1HB      ALA   9   3.715 -11.305 -10.163
   55    HB2  ALA   9           2HB      ALA   9   2.989 -11.947 -11.635
   56    HB3  ALA   9           3HB      ALA   9   4.266 -12.848 -10.817
   57    H    VAL  10           H        VAL  10   1.534 -11.951  -7.663
   58    HA   VAL  10           HA       VAL  10  -0.729 -10.548  -8.935
   59    HB   VAL  10           HB       VAL  10  -0.751 -11.995  -6.278
   60   HG11  VAL  10          1HG1      VAL  10  -2.916 -10.363  -7.604
   61   HG12  VAL  10          2HG1      VAL  10  -2.032  -9.937  -6.137
   62   HG13  VAL  10          3HG1      VAL  10  -3.113 -11.332  -6.144
   63   HG21  VAL  10          3HG2      VAL  10  -0.947 -13.504  -8.182
   64   HG22  VAL  10          1HG2      VAL  10  -2.271 -12.534  -8.829
   65   HG23  VAL  10          2HG2      VAL  10  -2.475 -13.401  -7.306
   66    H    ASP  11           H        ASP  11  -0.700  -8.420  -8.577
   67    HA   ASP  11           HA       ASP  11   0.586  -7.463  -6.113
   68    HB2  ASP  11           2HB      ASP  11   1.274  -5.439  -7.250
   69    HB3  ASP  11           1HB      ASP  11   1.874  -6.829  -8.144
   70    H    VAL  12           H        VAL  12  -0.586  -6.228  -4.815
   71    HA   VAL  12           HA       VAL  12  -3.321  -5.576  -5.629
   72    HB   VAL  12           HB       VAL  12  -2.026  -5.429  -2.895
   73   HG11  VAL  12          1HG1      VAL  12  -4.312  -5.215  -2.051
   74   HG12  VAL  12          2HG1      VAL  12  -4.921  -5.188  -3.706
   75   HG13  VAL  12          3HG1      VAL  12  -3.893  -3.879  -3.123
   76   HG21  VAL  12          3HG2      VAL  12  -3.313  -7.450  -2.387
   77   HG22  VAL  12          1HG2      VAL  12  -2.172  -7.724  -3.704
   78   HG23  VAL  12          2HG2      VAL  12  -3.886  -7.502  -4.054
   79    H    GLU  13           H        GLU  13  -3.794  -3.553  -6.264
   80    HA   GLU  13           HA       GLU  13  -1.753  -1.511  -5.800
   81    HB2  GLU  13           2HB      GLU  13  -2.951  -0.335  -7.723
   82    HB3  GLU  13           1HB      GLU  13  -2.032  -1.780  -8.111
   83    HG2  GLU  13           2HG      GLU  13  -4.103  -3.086  -8.115
   84    HG3  GLU  13           1HG      GLU  13  -5.015  -1.622  -7.757
   85    H    ILE  14           H        ILE  14  -2.150  -0.171  -4.241
   86    HA   ILE  14           HA       ILE  14  -4.935   0.507  -3.599
   87    HB   ILE  14           HB       ILE  14  -2.593   1.191  -1.835
   88   HG12  ILE  14          2HG1      ILE  14  -4.123  -1.431  -1.760
   89   HG13  ILE  14          1HG1      ILE  14  -2.485  -1.256  -2.376
   90   HG21  ILE  14          1HG2      ILE  14  -4.305   1.040  -0.078
   91   HG22  ILE  14          2HG2      ILE  14  -5.504   0.607  -1.296
   92   HG23  ILE  14          3HG2      ILE  14  -4.745   2.198  -1.333
   93   HD11  ILE  14          3HD1      ILE  14  -3.388  -0.770   0.455
   94   HD12  ILE  14          1HD1      ILE  14  -1.746  -0.525  -0.149
   95   HD13  ILE  14          2HD1      ILE  14  -2.449  -2.144  -0.134
   96    H    HIS  15           H        HIS  15  -5.558   2.686  -3.547
   97    HA   HIS  15           HA       HIS  15  -3.567   4.546  -4.666
   98    HB2  HIS  15           2HB      HIS  15  -6.572   4.525  -5.001
   99    HB3  HIS  15           1HB      HIS  15  -5.521   5.817  -5.567
  100    HD1  HIS  15           1HD      HIS  15  -6.731   2.430  -6.420
  101    HD2  HIS  15           2HD      HIS  15  -3.832   5.097  -7.757
  102    HE1  HIS  15           1HE      HIS  15  -5.978   1.543  -8.643
  103    HE2  HIS  15           2HE      HIS  15  -4.440   3.322  -9.547
  104    H    PHE  16           H        PHE  16  -2.826   5.897  -3.219
  105    HA   PHE  16           HA       PHE  16  -4.535   6.679  -0.956
  106    HB2  PHE  16           2HB      PHE  16  -1.541   6.639  -1.322
  107    HB3  PHE  16           1HB      PHE  16  -2.310   7.499  -0.001
  108    HD1  PHE  16           2HD      PHE  16  -4.427   4.880  -0.273
  109    HD2  PHE  16           1HD      PHE  16  -0.369   5.654   0.742
  110    HE1  PHE  16           2HE      PHE  16  -4.384   2.846   1.106
  111    HE2  PHE  16           1HE      PHE  16  -0.322   3.626   2.124
  112    HZ   PHE  16           HZ       PHE  16  -2.328   2.222   2.308
  113    HA   PRO  17           HA       PRO  17  -4.822  10.721  -2.940
  114    HB2  PRO  17           2HB      PRO  17  -5.853  11.415  -0.245
  115    HB3  PRO  17           1HB      PRO  17  -6.571  11.708  -1.832
  116    HG2  PRO  17           2HG      PRO  17  -7.543   9.820  -0.219
  117    HG3  PRO  17           1HG      PRO  17  -7.458   9.573  -1.974
  118    HD2  PRO  17           2HD      PRO  17  -5.684   8.499   0.179
  119    HD3  PRO  17           1HD      PRO  17  -6.276   7.704  -1.291
  120    H    LEU  18           H        LEU  18  -3.058  11.824  -3.121
  121    HA   LEU  18           HA       LEU  18  -0.767  11.693  -1.646
  122    HB2  LEU  18           2HB      LEU  18  -1.189  12.637  -3.973
  123    HB3  LEU  18           1HB      LEU  18  -1.652  14.129  -3.194
  124    HG   LEU  18           HG       LEU  18   0.630  14.182  -4.125
  125   HD11  LEU  18          1HD1      LEU  18   0.564  14.388  -1.126
  126   HD12  LEU  18          2HD1      LEU  18   0.108  15.650  -2.270
  127   HD13  LEU  18          3HD1      LEU  18   1.780  15.097  -2.186
  128   HD21  LEU  18          3HD2      LEU  18   1.297  11.909  -3.864
  129   HD22  LEU  18          1HD2      LEU  18   1.174  12.021  -2.108
  130   HD23  LEU  18          2HD2      LEU  18   2.416  12.932  -2.965
  131    H    LYS  19           H        LYS  19  -3.374  14.027  -1.302
  132    HA   LYS  19           HA       LYS  19  -1.937  15.811   0.373
  133    HB2  LYS  19           2HB      LYS  19  -4.913  15.533  -0.046
  134    HB3  LYS  19           1HB      LYS  19  -4.092  16.928   0.634
  135    HG2  LYS  19           2HG      LYS  19  -3.137  17.512  -1.418
  136    HG3  LYS  19           1HG      LYS  19  -3.459  15.925  -2.117
  137    HD2  LYS  19           2HD      LYS  19  -5.004  17.548  -3.026
  138    HD3  LYS  19           1HD      LYS  19  -5.873  16.401  -2.012
  139    HE2  LYS  19           2HE      LYS  19  -6.567  18.748  -1.742
  140    HE3  LYS  19           1HE      LYS  19  -6.025  17.994  -0.244
  141    HZ1  LYS  19           3HZ      LYS  19  -3.903  19.111  -0.496
  142    HZ2  LYS  19           1HZ      LYS  19  -5.155  20.245  -0.505
  143    HZ3  LYS  19           2HZ      LYS  19  -4.400  19.805  -1.951
  144    H    ARG  20           H        ARG  20  -4.117  13.115   1.011
  145    HA   ARG  20           HA       ARG  20  -4.313  13.877   3.810
  146    HB2  ARG  20           2HB      ARG  20  -5.992  12.192   4.028
  147    HB3  ARG  20           1HB      ARG  20  -6.298  13.052   2.529
  148    HG2  ARG  20           2HG      ARG  20  -6.534  10.982   1.699
  149    HG3  ARG  20           1HG      ARG  20  -4.770  11.027   1.619
  150    HD2  ARG  20           2HD      ARG  20  -4.985  10.179   4.105
  151    HD3  ARG  20           1HD      ARG  20  -6.561   9.626   3.535
  152    HE   ARG  20           HE       ARG  20  -5.244   8.446   1.750
  153   HH11  ARG  20          1HH1      ARG  20  -3.920   9.160   4.895
  154   HH12  ARG  20          2HH1      ARG  20  -2.846   7.802   4.900
  155   HH21  ARG  20          1HH2      ARG  20  -3.820   6.652   1.733
  156   HH22  ARG  20          2HH2      ARG  20  -2.788   6.371   3.092
  157    H    ILE  21           H        ILE  21  -2.631  11.515   1.832
  158    HA   ILE  21           HA       ILE  21  -1.892   9.873   4.067
  159    HB   ILE  21           HB       ILE  21  -1.919   8.891   1.835
  160   HG12  ILE  21          2HG1      ILE  21   0.214   7.712   1.873
  161   HG13  ILE  21          1HG1      ILE  21   0.926   8.972   2.876
  162   HG21  ILE  21          1HG2      ILE  21   0.261  10.867   1.213
  163   HG22  ILE  21          2HG2      ILE  21  -1.315  10.716   0.439
  164   HG23  ILE  21          3HG2      ILE  21  -0.095   9.463   0.210
  165   HD11  ILE  21          3HD1      ILE  21  -1.308   7.123   3.681
  166   HD12  ILE  21          1HD1      ILE  21  -0.574   8.363   4.696
  167   HD13  ILE  21          2HD1      ILE  21   0.383   6.981   4.162
  168    H    ALA  22           H        ALA  22  -0.696  12.744   2.551
  169    HA   ALA  22           HA       ALA  22   1.849  12.700   3.927
  170    HB1  ALA  22           1HB      ALA  22   2.208  14.882   2.905
  171    HB2  ALA  22           2HB      ALA  22   0.539  14.904   2.338
  172    HB3  ALA  22           3HB      ALA  22   1.669  13.712   1.702
  173    H    ALA  23           H        ALA  23  -1.001  12.869   5.185
  174    HA   ALA  23           HA       ALA  23  -0.429  15.170   6.933
  175    HB1  ALA  23           1HB      ALA  23  -2.851  15.442   7.201
  176    HB2  ALA  23           2HB      ALA  23  -3.124  14.129   6.061
  177    HB3  ALA  23           3HB      ALA  23  -2.362  15.625   5.517
  178    H    GLU  24           H        GLU  24  -1.746  14.935   9.017
  179    HA   GLU  24           HA       GLU  24  -1.589  12.166   9.964
  180    HB2  GLU  24           2HB      GLU  24  -1.196  13.174  12.247
  181    HB3  GLU  24           1HB      GLU  24   0.127  13.347  11.108
  182    HG2  GLU  24           2HG      GLU  24  -0.553  15.652  10.668
  183    HG3  GLU  24           1HG      GLU  24  -1.877  15.473  11.820
  184    H    GLY  25           H        GLY  25  -3.231  11.498  11.385
  185    HA2  GLY  25           2HA      GLY  25  -5.454  11.625  12.204
  186    HA3  GLY  25           1HA      GLY  25  -5.664  13.133  11.315
  187    H    TYR  26           H        TYR  26  -4.081  10.502   9.806
  188    HA   TYR  26           HA       TYR  26  -5.718  10.494   7.556
  189    HB2  TYR  26           2HB      TYR  26  -4.530   8.355   6.966
  190    HB3  TYR  26           1HB      TYR  26  -3.462   9.699   7.371
  191    HD1  TYR  26           2HD      TYR  26  -2.138   9.660   9.419
  192    HD2  TYR  26           1HD      TYR  26  -4.701   6.415   8.413
  193    HE1  TYR  26           2HE      TYR  26  -1.020   8.258  11.102
  194    HE2  TYR  26           1HE      TYR  26  -3.589   5.008  10.093
  195    HH   TYR  26           HH       TYR  26  -1.563   6.249  12.476
  196    H    ALA  27           H        ALA  27  -6.147   8.959  10.585
  197    HA   ALA  27           HA       ALA  27  -7.710   6.736   9.820
  198    HB1  ALA  27           1HB      ALA  27  -8.434   6.669  12.135
  199    HB2  ALA  27           2HB      ALA  27  -7.823   8.304  12.395
  200    HB3  ALA  27           3HB      ALA  27  -6.701   6.989  12.048
  201    H    GLU  28           H        GLU  28  -8.370  10.099   9.889
  202    HA   GLU  28           HA       GLU  28 -11.254   9.710   9.978
  203    HB2  GLU  28           2HB      GLU  28  -9.617  12.239   9.740
  204    HB3  GLU  28           1HB      GLU  28 -11.365  12.172   9.923
  205    HG2  GLU  28           2HG      GLU  28 -11.070  11.050  12.092
  206    HG3  GLU  28           1HG      GLU  28  -9.325  11.211  11.913
  207    H    ASP  29           H        ASP  29  -8.967   9.384   7.671
  208    HA   ASP  29           HA       ASP  29 -10.447  10.632   5.506
  209    HB2  ASP  29           2HB      ASP  29  -7.915  10.453   5.437
  210    HB3  ASP  29           1HB      ASP  29  -8.118   8.711   5.290
  211    H    GLU  30           H        GLU  30 -12.328   9.686   5.025
  212    HA   GLU  30           HA       GLU  30 -12.935   6.998   5.649
  213    HB2  GLU  30           2HB      GLU  30 -14.681   8.691   5.514
  214    HB3  GLU  30           1HB      GLU  30 -14.339   8.941   3.807
  215    HG2  GLU  30           2HG      GLU  30 -15.068   6.683   3.306
  216    HG3  GLU  30           1HG      GLU  30 -15.361   6.383   5.018
  217    H    LEU  31           H        LEU  31 -11.610   8.589   2.894
  218    HA   LEU  31           HA       LEU  31 -12.040   6.647   0.930
  219    HB2  LEU  31           2HB      LEU  31 -10.573   9.080   1.253
  220    HB3  LEU  31           1HB      LEU  31  -9.522   7.882   0.524
  221    HG   LEU  31           HG       LEU  31 -12.230   8.663  -0.548
  222   HD11  LEU  31          1HD1      LEU  31 -10.613  10.487  -0.738
  223   HD12  LEU  31          2HD1      LEU  31 -10.986   9.790  -2.313
  224   HD13  LEU  31          3HD1      LEU  31  -9.469   9.392  -1.510
  225   HD21  LEU  31          3HD2      LEU  31 -11.507   7.383  -2.507
  226   HD22  LEU  31          1HD2      LEU  31 -11.611   6.382  -1.058
  227   HD23  LEU  31          2HD2      LEU  31 -10.038   6.921  -1.644
  228    H    LEU  32           H        LEU  32  -9.494   7.119   3.313
  229    HA   LEU  32           HA       LEU  32  -7.819   5.053   2.353
  230    HB2  LEU  32           2HB      LEU  32  -6.945   6.919   3.593
  231    HB3  LEU  32           1HB      LEU  32  -7.984   6.557   4.959
  232    HG   LEU  32           HG       LEU  32  -6.755   4.507   5.358
  233   HD11  LEU  32          1HD1      LEU  32  -4.683   4.039   4.146
  234   HD12  LEU  32          2HD1      LEU  32  -5.012   5.404   3.079
  235   HD13  LEU  32          3HD1      LEU  32  -6.085   4.005   3.078
  236   HD21  LEU  32          3HD2      LEU  32  -4.650   5.520   6.109
  237   HD22  LEU  32          1HD2      LEU  32  -6.056   6.510   6.507
  238   HD23  LEU  32          2HD2      LEU  32  -5.022   6.949   5.145
  239    H    LEU  33           H        LEU  33 -10.260   5.296   4.887
  240    HA   LEU  33           HA       LEU  33  -9.725   2.805   6.074
  241    HB2  LEU  33           2HB      LEU  33 -11.736   4.894   6.281
  242    HB3  LEU  33           1HB      LEU  33 -12.313   3.297   6.699
  243    HG   LEU  33           HG       LEU  33 -11.530   4.539   8.665
  244   HD11  LEU  33          1HD1      LEU  33 -11.387   2.099   8.649
  245   HD12  LEU  33          2HD1      LEU  33 -10.094   2.824   9.602
  246   HD13  LEU  33          3HD1      LEU  33  -9.755   2.203   7.989
  247   HD21  LEU  33          3HD2      LEU  33  -9.831   5.915   7.596
  248   HD22  LEU  33          1HD2      LEU  33  -8.843   4.485   7.300
  249   HD23  LEU  33          2HD2      LEU  33  -9.148   5.020   8.953
  250    H    ASN  34           H        ASN  34 -12.181   3.781   3.675
  251    HA   ASN  34           HA       ASN  34 -13.285   1.143   3.568
  252    HB2  ASN  34           2HB      ASN  34 -14.801   1.927   1.989
  253    HB3  ASN  34           1HB      ASN  34 -14.434   3.384   2.900
  254   HD21  ASN  34          1HD2      ASN  34 -13.288   5.036   1.919
  255   HD22  ASN  34          2HD2      ASN  34 -13.009   5.075   0.211
  256    H    GLN  35           H        GLN  35 -10.819   2.879   1.807
  257    HA   GLN  35           HA       GLN  35 -10.461   1.059  -0.316
  258    HB2  GLN  35           2HB      GLN  35  -9.452   3.489   0.424
  259    HB3  GLN  35           1HB      GLN  35  -8.077   2.440   0.727
  260    HG2  GLN  35           2HG      GLN  35  -7.732   2.030  -1.467
  261    HG3  GLN  35           1HG      GLN  35  -9.448   2.144  -1.863
  262   HE21  GLN  35          1HE2      GLN  35  -8.047   4.646   0.049
  263   HE22  GLN  35          2HE2      GLN  35  -7.987   5.859  -1.182
  264    H    MET  36           H        MET  36  -8.921   1.379   2.859
  265    HA   MET  36           HA       MET  36  -7.515  -1.144   2.494
  266    HB2  MET  36           2HB      MET  36  -7.472   0.817   4.793
  267    HB3  MET  36           1HB      MET  36  -6.501  -0.647   4.696
  268    HG2  MET  36           2HG      MET  36  -6.330   1.805   2.977
  269    HG3  MET  36           1HG      MET  36  -5.106   1.141   4.056
  270    HE1  MET  36           3HE      MET  36  -3.817  -1.188   3.555
  271    HE2  MET  36           1HE      MET  36  -4.096  -2.150   2.104
  272    HE3  MET  36           2HE      MET  36  -5.361  -2.011   3.326
  273    H    GLY  37           H        GLY  37 -10.556  -0.395   3.242
  274    HA2  GLY  37           2HA      GLY  37 -10.871  -2.722   4.978
  275    HA3  GLY  37           1HA      GLY  37 -12.166  -1.702   4.351
  276    H    LYS  38           H        LYS  38 -11.202  -1.713   1.656
  277    HA   LYS  38           HA       LYS  38 -12.445  -4.082   0.693
  278    HB2  LYS  38           2HB      LYS  38 -10.932  -1.874  -0.676
  279    HB3  LYS  38           1HB      LYS  38 -11.663  -3.213  -1.551
  280    HG2  LYS  38           2HG      LYS  38 -13.117  -1.191   0.144
  281    HG3  LYS  38           1HG      LYS  38 -13.101  -1.266  -1.619
  282    HD2  LYS  38           2HD      LYS  38 -14.098  -3.565  -1.430
  283    HD3  LYS  38           1HD      LYS  38 -14.295  -3.261   0.297
  284    HE2  LYS  38           2HE      LYS  38 -15.533  -1.703  -1.967
  285    HE3  LYS  38           1HE      LYS  38 -16.365  -2.787  -0.853
  286    HZ1  LYS  38           3HZ      LYS  38 -15.625  -1.251   0.959
  287    HZ2  LYS  38           1HZ      LYS  38 -16.755  -0.598  -0.113
  288    HZ3  LYS  38           2HZ      LYS  38 -15.127  -0.169  -0.237
  289    H    VAL  39           H        VAL  39  -9.218  -2.856  -0.203
  290    HA   VAL  39           HA       VAL  39  -8.465  -5.583  -0.884
  291    HB   VAL  39           HB       VAL  39  -6.371  -4.558  -1.772
  292   HG11  VAL  39          1HG1      VAL  39  -8.291  -4.962  -3.213
  293   HG12  VAL  39          2HG1      VAL  39  -7.440  -3.496  -3.697
  294   HG13  VAL  39          3HG1      VAL  39  -8.951  -3.381  -2.796
  295   HG21  VAL  39          3HG2      VAL  39  -6.227  -2.605  -0.343
  296   HG22  VAL  39          1HG2      VAL  39  -7.722  -1.963  -1.027
  297   HG23  VAL  39          2HG2      VAL  39  -6.282  -2.113  -2.035
  298    H    ASN  40           H        ASN  40  -8.717  -5.982   1.491
  299    HA   ASN  40           HA       ASN  40  -6.192  -5.953   2.848
  300    HB2  ASN  40           2HB      ASN  40  -7.030  -3.633   3.133
  301    HB3  ASN  40           1HB      ASN  40  -8.438  -4.283   3.970
  302   HD21  ASN  40          1HD2      ASN  40  -4.971  -4.009   4.057
  303   HD22  ASN  40          2HD2      ASN  40  -4.797  -4.213   5.763
  304    H    ASP  41           H        ASP  41  -9.564  -6.732   2.673
  305    HA   ASP  41           HA       ASP  41  -9.709  -8.179   5.120
  306    HB2  ASP  41           2HB      ASP  41 -11.713  -7.283   4.013
  307    HB3  ASP  41           1HB      ASP  41 -11.445  -8.352   2.640
  308    H    THR  42           H        THR  42  -9.044  -9.040   1.758
  309    HA   THR  42           HA       THR  42  -7.974 -11.597   2.715
  310    HB   THR  42           HB       THR  42 -10.157 -12.112   1.808
  311    HG1  THR  42           1HG      THR  42  -8.640 -13.674   1.374
  312   HG21  THR  42          3HG2      THR  42 -10.739 -11.687  -0.535
  313   HG22  THR  42          1HG2      THR  42  -9.228 -10.800  -0.746
  314   HG23  THR  42          2HG2      THR  42 -10.468 -10.185   0.345
  315    HA   PRO  43           HA       PRO  43  -5.144  -9.357  -0.182
  316    HB2  PRO  43           2HB      PRO  43  -3.499  -8.166   1.507
  317    HB3  PRO  43           1HB      PRO  43  -5.148  -7.559   1.294
  318    HG2  PRO  43           2HG      PRO  43  -3.984  -9.136   3.532
  319    HG3  PRO  43           1HG      PRO  43  -5.250  -7.906   3.573
  320    HD2  PRO  43           2HD      PRO  43  -5.575 -10.725   3.524
  321    HD3  PRO  43           1HD      PRO  43  -6.832  -9.482   3.415
  322    H    GLU  44           H        GLU  44  -4.975 -12.131   1.207
  323    HA   GLU  44           HA       GLU  44  -3.584 -13.913   1.021
  324    HB2  GLU  44           2HB      GLU  44  -2.866 -12.969  -1.120
  325    HB3  GLU  44           1HB      GLU  44  -1.676 -11.975  -0.293
  326    HG2  GLU  44           2HG      GLU  44  -0.563 -13.846  -1.264
  327    HG3  GLU  44           1HG      GLU  44  -0.561 -14.045   0.487
  328    H    GLU  45           H        GLU  45  -1.652 -11.057   1.877
  329    HA   GLU  45           HA       GLU  45   0.207 -12.490   3.469
  330    HB2  GLU  45           2HB      GLU  45   0.867 -10.402   2.530
  331    HB3  GLU  45           1HB      GLU  45  -0.469  -9.562   3.276
  332    HG2  GLU  45           2HG      GLU  45   1.419  -8.941   4.503
  333    HG3  GLU  45           1HG      GLU  45   0.590 -10.130   5.503
  334    H    GLU  46           H        GLU  46  -1.850  -9.914   4.771
  335    HA   GLU  46           HA       GLU  46  -2.845 -11.701   6.844
  336    HB2  GLU  46           2HB      GLU  46  -1.253  -9.202   7.378
  337    HB3  GLU  46           1HB      GLU  46  -2.377  -9.856   8.556
  338    HG2  GLU  46           2HG      GLU  46  -1.111 -11.943   8.607
  339    HG3  GLU  46           1HG      GLU  46   0.009 -11.292   7.414
  340    H    GLY  47           H        GLY  47  -2.929  -8.220   7.098
  341    HA2  GLY  47           2HA      GLY  47  -5.010  -7.443   5.560
  342    HA3  GLY  47           1HA      GLY  47  -5.805  -8.221   6.914
  343    H    MET  48           H        MET  48  -5.675  -7.257   8.971
  344    HA   MET  48           HA       MET  48  -5.843  -4.487   8.942
  345    HB2  MET  48           2HB      MET  48  -6.840  -6.049  10.654
  346    HB3  MET  48           1HB      MET  48  -5.252  -6.102  11.414
  347    HG2  MET  48           2HG      MET  48  -5.605  -3.438  11.232
  348    HG3  MET  48           1HG      MET  48  -7.277  -3.969  11.400
  349    HE1  MET  48           3HE      MET  48  -3.865  -5.336  12.880
  350    HE2  MET  48           1HE      MET  48  -3.909  -4.585  14.475
  351    HE3  MET  48           2HE      MET  48  -3.802  -3.578  13.031
  352    HA   PRO  49           HA       PRO  49  -1.423  -4.208  10.852
  353    HB2  PRO  49           2HB      PRO  49   0.278  -6.266  10.368
  354    HB3  PRO  49           1HB      PRO  49  -0.725  -6.183  11.821
  355    HG2  PRO  49           2HG      PRO  49  -1.157  -7.739   9.307
  356    HG3  PRO  49           1HG      PRO  49  -1.423  -8.227  10.987
  357    HD2  PRO  49           2HD      PRO  49  -3.427  -7.448   9.345
  358    HD3  PRO  49           1HD      PRO  49  -3.459  -7.209  11.094
  359    H    LEU  50           H        LEU  50  -2.147  -5.875   7.927
  360    HA   LEU  50           HA       LEU  50  -0.016  -5.152   6.278
  361    HB2  LEU  50           2HB      LEU  50  -2.750  -6.107   6.003
  362    HB3  LEU  50           1HB      LEU  50  -2.267  -5.068   4.682
  363    HG   LEU  50           HG       LEU  50  -0.674  -7.459   5.553
  364   HD11  LEU  50          1HD1      LEU  50  -1.741  -8.398   3.421
  365   HD12  LEU  50          2HD1      LEU  50  -2.956  -7.149   3.647
  366   HD13  LEU  50          3HD1      LEU  50  -2.705  -8.372   4.893
  367   HD21  LEU  50          3HD2      LEU  50   0.288  -7.240   3.326
  368   HD22  LEU  50          1HD2      LEU  50   0.495  -5.734   4.223
  369   HD23  LEU  50          2HD2      LEU  50  -0.767  -5.867   2.994
  370    H    ARG  51           H        ARG  51  -3.113  -3.513   6.894
  371    HA   ARG  51           HA       ARG  51  -2.390  -1.314   5.220
  372    HB2  ARG  51           2HB      ARG  51  -4.411  -0.228   5.994
  373    HB3  ARG  51           1HB      ARG  51  -4.746  -1.898   5.576
  374    HG2  ARG  51           2HG      ARG  51  -4.659  -2.457   7.994
  375    HG3  ARG  51           1HG      ARG  51  -4.489  -0.732   8.336
  376    HD2  ARG  51           2HD      ARG  51  -6.613  -0.329   7.130
  377    HD3  ARG  51           1HD      ARG  51  -6.791  -2.070   6.921
  378    HE   ARG  51           HE       ARG  51  -6.493  -1.164   9.660
  379   HH11  ARG  51          1HH1      ARG  51  -8.675  -2.072   7.073
  380   HH12  ARG  51          2HH1      ARG  51 -10.035  -2.284   8.127
  381   HH21  ARG  51          1HH2      ARG  51  -8.285  -1.445  11.047
  382   HH22  ARG  51          2HH2      ARG  51  -9.812  -1.938  10.390
  383    H    ALA  52           H        ALA  52  -2.189  -2.015   8.649
  384    HA   ALA  52           HA       ALA  52  -1.434   0.499   9.567
  385    HB1  ALA  52           1HB      ALA  52  -1.945  -1.422  11.021
  386    HB2  ALA  52           2HB      ALA  52  -0.415  -0.653  11.439
  387    HB3  ALA  52           3HB      ALA  52  -0.421  -2.170  10.541
  388    H    TRP  53           H        TRP  53   0.686  -2.163   8.369
  389    HA   TRP  53           HA       TRP  53   2.981  -0.485   8.599
  390    HB2  TRP  53           2HB      TRP  53   4.301  -2.262   7.833
  391    HB3  TRP  53           1HB      TRP  53   3.029  -2.997   8.782
  392    HD1  TRP  53           HD       TRP  53   1.802  -4.984   7.696
  393    HE1  TRP  53           1HE      TRP  53   1.824  -6.081   5.360
  394    HE3  TRP  53           3HE      TRP  53   4.508  -1.483   5.151
  395    HZ2  TRP  53           2HZ      TRP  53   2.837  -5.536   2.804
  396    HZ3  TRP  53           3HZ      TRP  53   4.974  -1.852   2.774
  397    HH2  TRP  53           HH       TRP  53   4.145  -3.837   1.617
  398    H    VAL  54           H        VAL  54   0.925  -1.463   5.907
  399    HA   VAL  54           HA       VAL  54   2.442  -0.354   3.834
  400    HB   VAL  54           HB       VAL  54  -0.371  -1.172   4.203
  401   HG11  VAL  54          1HG1      VAL  54  -1.054  -0.357   1.984
  402   HG12  VAL  54          2HG1      VAL  54   0.473   0.516   1.843
  403   HG13  VAL  54          3HG1      VAL  54  -0.695   0.977   3.083
  404   HG21  VAL  54          3HG2      VAL  54   1.317  -2.746   3.450
  405   HG22  VAL  54          1HG2      VAL  54   1.661  -1.723   2.054
  406   HG23  VAL  54          2HG2      VAL  54   0.085  -2.502   2.211
  407    H    ILE  55           H        ILE  55  -0.259   1.073   5.673
  408    HA   ILE  55           HA       ILE  55  -0.186   3.566   4.376
  409    HB   ILE  55           HB       ILE  55  -1.248   2.764   7.081
  410   HG12  ILE  55          2HG1      ILE  55  -2.706   3.466   4.532
  411   HG13  ILE  55          1HG1      ILE  55  -2.269   1.821   4.983
  412   HG21  ILE  55          1HG2      ILE  55  -2.453   4.879   7.129
  413   HG22  ILE  55          2HG2      ILE  55  -1.639   5.392   5.649
  414   HG23  ILE  55          3HG2      ILE  55  -0.710   5.143   7.128
  415   HD11  ILE  55          3HD1      ILE  55  -3.667   1.959   6.947
  416   HD12  ILE  55          1HD1      ILE  55  -4.595   2.363   5.504
  417   HD13  ILE  55          2HD1      ILE  55  -4.048   3.642   6.585
  418    H    LYS  56           H        LYS  56   1.429   2.389   7.330
  419    HA   LYS  56           HA       LYS  56   2.498   4.942   7.976
  420    HB2  LYS  56           2HB      LYS  56   2.244   2.885   9.515
  421    HB3  LYS  56           1HB      LYS  56   3.780   2.363   8.830
  422    HG2  LYS  56           2HG      LYS  56   4.800   4.476   9.552
  423    HG3  LYS  56           1HG      LYS  56   3.266   4.951  10.276
  424    HD2  LYS  56           2HD      LYS  56   3.397   2.929  11.721
  425    HD3  LYS  56           1HD      LYS  56   5.010   2.624  11.069
  426    HE2  LYS  56           2HE      LYS  56   4.102   5.036  12.633
  427    HE3  LYS  56           1HE      LYS  56   5.215   3.783  13.173
  428    HZ1  LYS  56           3HZ      LYS  56   6.458   5.697  12.514
  429    HZ2  LYS  56           1HZ      LYS  56   5.680   5.768  11.015
  430    HZ3  LYS  56           2HZ      LYS  56   6.728   4.486  11.364
  431    H    CYS  57           H        CYS  57   3.784   2.163   6.175
  432    HA   CYS  57           HA       CYS  57   6.373   3.264   5.816
  433    HB2  CYS  57           2HB      CYS  57   4.899   1.185   4.191
  434    HB3  CYS  57           1HB      CYS  57   6.602   1.584   3.992
  435    HG   CYS  57           HG       CYS  57   5.086  -0.039   6.562
  436    H    ALA  58           H        ALA  58   3.431   3.334   3.829
  437    HA   ALA  58           HA       ALA  58   4.522   4.772   1.661
  438    HB1  ALA  58           1HB      ALA  58   2.371   3.642   1.502
  439    HB2  ALA  58           2HB      ALA  58   2.188   5.358   1.135
  440    HB3  ALA  58           3HB      ALA  58   1.691   4.735   2.708
  441    H    HIS  59           H        HIS  59   3.111   5.735   4.716
  442    HA   HIS  59           HA       HIS  59   3.032   8.513   4.354
  443    HB2  HIS  59           2HB      HIS  59   2.129   6.965   6.267
  444    HB3  HIS  59           1HB      HIS  59   3.709   7.234   6.989
  445    HD1  HIS  59           1HD      HIS  59   1.242   8.177   8.454
  446    HD2  HIS  59           2HD      HIS  59   3.350  10.554   5.788
  447    HE1  HIS  59           1HE      HIS  59   0.674  10.543   9.076
  448    HE2  HIS  59           2HE      HIS  59   1.869  11.966   7.378
  449    H    GLU  60           H        GLU  60   5.498   6.467   5.889
  450    HA   GLU  60           HA       GLU  60   7.423   8.427   6.391
  451    HB2  GLU  60           2HB      GLU  60   7.797   5.489   5.779
  452    HB3  GLU  60           1HB      GLU  60   9.026   6.536   6.472
  453    HG2  GLU  60           2HG      GLU  60   6.369   6.083   7.784
  454    HG3  GLU  60           1HG      GLU  60   7.758   5.037   8.060
  455    H    ALA  61           H        ALA  61   7.011   6.288   3.595
  456    HA   ALA  61           HA       ALA  61   9.375   7.023   2.257
  457    HB1  ALA  61           1HB      ALA  61   8.397   5.953   0.297
  458    HB2  ALA  61           2HB      ALA  61   6.814   5.950   1.072
  459    HB3  ALA  61           3HB      ALA  61   8.125   4.980   1.740
  460    H    LEU  62           H        LEU  62   6.078   8.277   2.066
  461    HA   LEU  62           HA       LEU  62   6.567   9.907  -0.202
  462    HB2  LEU  62           2HB      LEU  62   4.324   9.130   0.547
  463    HB3  LEU  62           1HB      LEU  62   4.423  10.263   1.884
  464    HG   LEU  62           HG       LEU  62   4.847  11.988  -0.090
  465   HD11  LEU  62          1HD1      LEU  62   4.800  10.186  -1.794
  466   HD12  LEU  62          2HD1      LEU  62   3.612  11.461  -2.068
  467   HD13  LEU  62          3HD1      LEU  62   3.102   9.911  -1.394
  468   HD21  LEU  62          3HD2      LEU  62   2.469  12.496  -0.062
  469   HD22  LEU  62          1HD2      LEU  62   3.058  12.118   1.557
  470   HD23  LEU  62          2HD2      LEU  62   2.134  10.919   0.654
  471    H    GLU  63           H        GLU  63   6.548  10.590   3.298
  472    HA   GLU  63           HA       GLU  63   6.745  13.398   2.971
  473    HB2  GLU  63           2HB      GLU  63   7.513  11.679   5.335
  474    HB3  GLU  63           1HB      GLU  63   7.408  13.433   5.363
  475    HG2  GLU  63           2HG      GLU  63   4.996  13.205   4.721
  476    HG3  GLU  63           1HG      GLU  63   5.170  11.467   4.968
  477    H    LYS  64           H        LYS  64   9.189  10.880   3.083
  478    HA   LYS  64           HA       LYS  64  11.323  12.742   3.619
  479    HB2  LYS  64           2HB      LYS  64  11.437   9.842   2.775
  480    HB3  LYS  64           1HB      LYS  64  12.818  10.806   3.283
  481    HG2  LYS  64           2HG      LYS  64  10.454   9.982   4.954
  482    HG3  LYS  64           1HG      LYS  64  12.131   9.459   5.127
  483    HD2  LYS  64           2HD      LYS  64  12.788  11.734   5.720
  484    HD3  LYS  64           1HD      LYS  64  11.125  12.280   5.510
  485    HE2  LYS  64           2HE      LYS  64  10.443  10.694   7.297
  486    HE3  LYS  64           1HE      LYS  64  12.143  10.320   7.559
  487    HZ1  LYS  64           3HZ      LYS  64  12.520  12.663   8.081
  488    HZ2  LYS  64           1HZ      LYS  64  11.389  11.969   9.128
  489    HZ3  LYS  64           2HZ      LYS  64  10.875  12.983   7.879
  490    H    ASN  65           H        ASN  65   9.727  11.550   0.838
  491    HA   ASN  65           HA       ASN  65  11.325  13.373  -0.760
  492    HB2  ASN  65           2HB      ASN  65  11.394  11.659  -2.651
  493    HB3  ASN  65           1HB      ASN  65  12.510  11.406  -1.317
  494   HD21  ASN  65          1HD2      ASN  65   9.633  10.290  -2.893
  495   HD22  ASN  65          2HD2      ASN  65   9.564   8.736  -2.144
  496    HA   PRO  66           HA       PRO  66   6.727  13.428  -1.193
  497    HB2  PRO  66           2HB      PRO  66   6.280  15.986  -0.562
  498    HB3  PRO  66           1HB      PRO  66   6.662  14.792   0.679
  499    HG2  PRO  66           2HG      PRO  66   8.467  16.801  -0.624
  500    HG3  PRO  66           1HG      PRO  66   8.318  16.380   1.093
  501    HD2  PRO  66           2HD      PRO  66  10.262  15.378  -0.556
  502    HD3  PRO  66           1HD      PRO  66   9.656  14.530   0.880
  503    H    LYS  67           H        LYS  67   8.418  13.443  -3.382
  504    HA   LYS  67           HA       LYS  67   7.100  15.415  -5.129
  505    HB2  LYS  67           2HB      LYS  67   9.927  14.362  -5.405
  506    HB3  LYS  67           1HB      LYS  67   9.133  15.477  -6.507
  507    HG2  LYS  67           2HG      LYS  67   9.047  17.174  -4.795
  508    HG3  LYS  67           1HG      LYS  67   9.718  16.053  -3.611
  509    HD2  LYS  67           2HD      LYS  67  11.765  15.884  -4.980
  510    HD3  LYS  67           1HD      LYS  67  11.092  17.074  -6.094
  511    HE2  LYS  67           2HE      LYS  67  11.613  17.544  -3.162
  512    HE3  LYS  67           1HE      LYS  67  12.680  18.053  -4.469
  513    HZ1  LYS  67           3HZ      LYS  67   9.873  18.947  -4.093
  514    HZ2  LYS  67           1HZ      LYS  67  10.913  19.453  -5.325
  515    HZ3  LYS  67           2HZ      LYS  67  11.246  19.852  -3.714
  516    H    ILE  68           H        ILE  68   7.325  12.293  -4.259
  517    HA   ILE  68           HA       ILE  68   7.305  11.084  -6.897
  518    HB   ILE  68           HB       ILE  68   6.924   8.960  -5.678
  519   HG12  ILE  68          2HG1      ILE  68   7.299  10.580  -3.150
  520   HG13  ILE  68          1HG1      ILE  68   5.728  10.044  -3.738
  521   HG21  ILE  68          1HG2      ILE  68   9.156   8.882  -4.603
  522   HG22  ILE  68          2HG2      ILE  68   9.262  10.634  -4.798
  523   HG23  ILE  68          3HG2      ILE  68   9.163   9.593  -6.218
  524   HD11  ILE  68          3HD1      ILE  68   6.593   8.581  -1.998
  525   HD12  ILE  68          1HD1      ILE  68   8.022   8.253  -2.980
  526   HD13  ILE  68          2HD1      ILE  68   6.432   7.728  -3.533
  527    H    ARG  69           H        ARG  69   5.488   9.128  -6.749
  528    HA   ARG  69           HA       ARG  69   2.916  10.226  -6.016
  529    HB2  ARG  69           2HB      ARG  69   1.963  10.094  -8.272
  530    HB3  ARG  69           1HB      ARG  69   3.233  11.300  -8.159
  531    HG2  ARG  69           2HG      ARG  69   4.774   9.893  -9.304
  532    HG3  ARG  69           1HG      ARG  69   3.661   8.525  -9.231
  533    HD2  ARG  69           2HD      ARG  69   3.695   9.585 -11.448
  534    HD3  ARG  69           1HD      ARG  69   2.108   9.666 -10.690
  535    HE   ARG  69           HE       ARG  69   2.738  12.020 -10.076
  536   HH11  ARG  69          1HH1      ARG  69   4.109  10.411 -12.868
  537   HH12  ARG  69          2HH1      ARG  69   4.409  11.880 -13.733
  538   HH21  ARG  69          1HH2      ARG  69   3.133  13.967 -11.215
  539   HH22  ARG  69          2HH2      ARG  69   3.850  13.909 -12.794
  540    H    GLU  70           H        GLU  70   4.907   7.594  -6.450
  541    HA   GLU  70           HA       GLU  70   2.863   5.919  -5.414
  542    HB2  GLU  70           2HB      GLU  70   2.974   4.185  -7.188
  543    HB3  GLU  70           1HB      GLU  70   2.216   5.689  -7.716
  544    HG2  GLU  70           2HG      GLU  70   4.262   6.337  -8.851
  545    HG3  GLU  70           1HG      GLU  70   5.071   4.881  -8.270
  546    H    VAL  71           H        VAL  71   3.685   3.843  -4.703
  547    HA   VAL  71           HA       VAL  71   6.612   3.602  -4.763
  548    HB   VAL  71           HB       VAL  71   6.568   2.822  -2.382
  549   HG11  VAL  71          1HG1      VAL  71   6.455   5.090  -1.408
  550   HG12  VAL  71          2HG1      VAL  71   5.752   5.671  -2.917
  551   HG13  VAL  71          3HG1      VAL  71   7.391   5.023  -2.901
  552   HG21  VAL  71          3HG2      VAL  71   4.215   2.311  -2.152
  553   HG22  VAL  71          1HG2      VAL  71   3.794   4.002  -2.424
  554   HG23  VAL  71          2HG2      VAL  71   4.679   3.537  -0.970
  555    H    TYR  72           H        TYR  72   7.404   1.468  -4.299
  556    HA   TYR  72           HA       TYR  72   5.482  -0.617  -5.105
  557    HB2  TYR  72           2HB      TYR  72   8.495  -0.663  -5.418
  558    HB3  TYR  72           1HB      TYR  72   7.345  -1.810  -6.096
  559    HD1  TYR  72           1HD      TYR  72   5.885  -1.121  -7.983
  560    HD2  TYR  72           2HD      TYR  72   8.955   1.415  -6.490
  561    HE1  TYR  72           1HE      TYR  72   5.767   0.224 -10.038
  562    HE2  TYR  72           2HE      TYR  72   8.844   2.768  -8.538
  563    HH   TYR  72           HH       TYR  72   8.134   2.505 -10.883
  564    H    LEU  73           H        LEU  73   4.923  -1.921  -3.479
  565    HA   LEU  73           HA       LEU  73   6.757  -2.070  -1.194
  566    HB2  LEU  73           2HB      LEU  73   3.826  -1.746  -1.399
  567    HB3  LEU  73           1HB      LEU  73   4.430  -2.707  -0.063
  568    HG   LEU  73           HG       LEU  73   5.178   0.153  -0.670
  569   HD11  LEU  73          1HD1      LEU  73   2.928  -0.067   0.233
  570   HD12  LEU  73          2HD1      LEU  73   4.014   0.639   1.430
  571   HD13  LEU  73          3HD1      LEU  73   3.541  -1.056   1.558
  572   HD21  LEU  73          3HD2      LEU  73   7.096  -0.741   0.276
  573   HD22  LEU  73          1HD2      LEU  73   6.192  -1.853   1.307
  574   HD23  LEU  73          2HD2      LEU  73   6.223  -0.126   1.680
  575    H    LYS  74           H        LYS  74   7.441  -3.880  -0.457
  576    HA   LYS  74           HA       LYS  74   6.101  -6.402  -1.180
  577    HB2  LYS  74           2HB      LYS  74   8.415  -6.282  -1.999
  578    HB3  LYS  74           1HB      LYS  74   8.979  -5.857  -0.392
  579    HG2  LYS  74           2HG      LYS  74   9.345  -8.014  -0.033
  580    HG3  LYS  74           1HG      LYS  74   7.597  -8.255  -0.059
  581    HD2  LYS  74           2HD      LYS  74   9.407  -8.366  -2.469
  582    HD3  LYS  74           1HD      LYS  74   8.783  -9.768  -1.598
  583    HE2  LYS  74           2HE      LYS  74   6.490  -9.033  -2.119
  584    HE3  LYS  74           1HE      LYS  74   7.151  -7.682  -3.039
  585    HZ1  LYS  74           3HZ      LYS  74   7.582 -10.558  -3.658
  586    HZ2  LYS  74           1HZ      LYS  74   8.237  -9.257  -4.519
  587    HZ3  LYS  74           2HZ      LYS  74   6.565  -9.505  -4.498
  588    HA   PRO  75           HA       PRO  75   5.011  -6.306   3.137
  589    HB2  PRO  75           2HB      PRO  75   4.008  -8.815   3.364
  590    HB3  PRO  75           1HB      PRO  75   3.129  -7.494   2.586
  591    HG2  PRO  75           2HG      PRO  75   4.738  -9.681   1.353
  592    HG3  PRO  75           1HG      PRO  75   3.164  -9.042   0.853
  593    HD2  PRO  75           2HD      PRO  75   5.466  -8.325  -0.374
  594    HD3  PRO  75           1HD      PRO  75   4.101  -7.213  -0.202
  595    H    ARG  76           H        ARG  76   5.158  -8.251   4.972
  596    HA   ARG  76           HA       ARG  76   8.020  -8.368   5.318
  597    HB2  ARG  76           2HB      ARG  76   5.801  -9.241   7.162
  598    HB3  ARG  76           1HB      ARG  76   7.505  -9.225   7.577
  599    HG2  ARG  76           2HG      ARG  76   6.822  -7.244   8.501
  600    HG3  ARG  76           1HG      ARG  76   7.361  -6.706   6.910
  601    HD2  ARG  76           2HD      ARG  76   5.355  -5.681   6.863
  602    HD3  ARG  76           1HD      ARG  76   4.778  -7.278   6.381
  603    HE   ARG  76           HE       ARG  76   4.590  -6.104   9.071
  604   HH11  ARG  76          1HH1      ARG  76   3.644  -8.610   6.783
  605   HH12  ARG  76          2HH1      ARG  76   2.344  -9.185   7.783
  606   HH21  ARG  76          1HH2      ARG  76   2.858  -6.861  10.341
  607   HH22  ARG  76          2HH2      ARG  76   1.902  -8.204   9.781
  608    H    ALA  77           H        ALA  77   5.343 -10.643   4.919
  609    HA   ALA  77           HA       ALA  77   7.056 -12.934   5.158
  610    HB1  ALA  77           1HB      ALA  77   5.121 -14.229   4.432
  611    HB2  ALA  77           2HB      ALA  77   4.261 -12.739   4.040
  612    HB3  ALA  77           3HB      ALA  77   4.685 -13.097   5.713
  613    H    VAL  78           H        VAL  78   8.666 -12.157   3.687
  614    HA   VAL  78           HA       VAL  78   8.354 -11.890   0.920
  615    HB   VAL  78           HB       VAL  78  10.751 -13.113   2.302
  616   HG11  VAL  78          1HG1      VAL  78  10.527 -11.561  -0.276
  617   HG12  VAL  78          2HG1      VAL  78  10.794 -13.297  -0.131
  618   HG13  VAL  78          3HG1      VAL  78  12.021 -12.167   0.441
  619   HG21  VAL  78          3HG2      VAL  78  10.163 -11.040   3.414
  620   HG22  VAL  78          1HG2      VAL  78  10.085 -10.204   1.863
  621   HG23  VAL  78          2HG2      VAL  78  11.627 -10.820   2.457
  622    H    LYS  79           H        LYS  79   8.091 -14.647   2.920
  623    HA   LYS  79           HA       LYS  79   8.694 -16.759   1.214
  624    HB2  LYS  79           2HB      LYS  79   8.179 -17.051   3.592
  625    HB3  LYS  79           1HB      LYS  79   6.513 -16.569   3.304
  626    HG2  LYS  79           2HG      LYS  79   6.243 -18.550   1.836
  627    HG3  LYS  79           1HG      LYS  79   7.876 -19.048   2.277
  628    HD2  LYS  79           2HD      LYS  79   7.241 -19.262   4.589
  629    HD3  LYS  79           1HD      LYS  79   5.644 -18.595   4.250
  630    HE2  LYS  79           2HE      LYS  79   5.499 -20.998   4.455
  631    HE3  LYS  79           1HE      LYS  79   5.171 -20.520   2.792
  632    HZ1  LYS  79           3HZ      LYS  79   7.363 -21.190   2.161
  633    HZ2  LYS  79           1HZ      LYS  79   6.630 -22.471   2.980
  634    HZ3  LYS  79           2HZ      LYS  79   7.790 -21.523   3.761
  635    H    ASN  80           H        ASN  80   6.007 -14.544   1.155
  636    HA   ASN  80           HA       ASN  80   4.168 -16.056  -0.354
  637    HB2  ASN  80           2HB      ASN  80   4.617 -13.073  -0.431
  638    HB3  ASN  80           1HB      ASN  80   3.201 -13.917  -1.045
  639   HD21  ASN  80          1HD2      ASN  80   3.450 -11.847   0.954
  640   HD22  ASN  80          2HD2      ASN  80   2.751 -12.477   2.386
  641    H    SER  81           H        SER  81   7.039 -14.345  -1.130
  642    HA   SER  81           HA       SER  81   8.336 -14.184  -2.948
  643    HB2  SER  81           2HB      SER  81   6.540 -16.278  -4.187
  644    HB3  SER  81           1HB      SER  81   8.176 -15.853  -4.699
  645    HG   SER  81           HG       SER  81   7.466 -16.906  -2.153
  646    H    SER  82           H        SER  82   5.198 -14.796  -4.562
  647    HA   SER  82           HA       SER  82   5.844 -12.476  -6.225
  648    HB2  SER  82           2HB      SER  82   4.053 -14.834  -6.817
  649    HB3  SER  82           1HB      SER  82   4.424 -13.516  -7.930
  650    HG   SER  82           HG       SER  82   6.741 -14.251  -7.263
  651    H    VAL  83           H        VAL  83   4.308 -12.324  -3.589
  652    HA   VAL  83           HA       VAL  83   1.961 -11.000  -4.756
  653    HB   VAL  83           HB       VAL  83   1.760 -12.459  -2.634
  654   HG11  VAL  83          1HG1      VAL  83   2.852  -9.957  -1.358
  655   HG12  VAL  83          2HG1      VAL  83   3.687 -11.506  -1.446
  656   HG13  VAL  83          3HG1      VAL  83   2.193 -11.362  -0.518
  657   HG21  VAL  83          3HG2      VAL  83  -0.036 -11.052  -3.450
  658   HG22  VAL  83          1HG2      VAL  83   0.676  -9.645  -2.662
  659   HG23  VAL  83          2HG2      VAL  83   0.044 -10.972  -1.689
  660    H    GLN  84           H        GLN  84   1.810  -8.804  -4.823
  661    HA   GLN  84           HA       GLN  84   3.961  -7.260  -3.550
  662    HB2  GLN  84           2HB      GLN  84   2.988  -6.964  -6.389
  663    HB3  GLN  84           1HB      GLN  84   4.009  -5.792  -5.575
  664    HG2  GLN  84           2HG      GLN  84   5.744  -7.513  -5.320
  665    HG3  GLN  84           1HG      GLN  84   4.719  -8.648  -6.198
  666   HE21  GLN  84          1HE2      GLN  84   6.212  -8.902  -7.851
  667   HE22  GLN  84          2HE2      GLN  84   6.514  -7.666  -9.017
  668    H    PHE  85           H        PHE  85   3.456  -5.020  -3.208
  669    HA   PHE  85           HA       PHE  85   0.613  -4.360  -3.516
  670    HB2  PHE  85           2HB      PHE  85   2.416  -3.679  -1.186
  671    HB3  PHE  85           1HB      PHE  85   0.845  -2.931  -1.465
  672    HD1  PHE  85           2HD      PHE  85  -1.207  -4.226  -1.247
  673    HD2  PHE  85           1HD      PHE  85   2.593  -5.925  -0.375
  674    HE1  PHE  85           2HE      PHE  85  -2.314  -6.088  -0.081
  675    HE2  PHE  85           1HE      PHE  85   1.495  -7.793   0.792
  676    HZ   PHE  85           HZ       PHE  85  -0.962  -7.878   0.940
  677    H    HIS  86           H        HIS  86   0.304  -2.723  -4.784
  678    HA   HIS  86           HA       HIS  86   2.588  -0.963  -5.389
  679    HB2  HIS  86           2HB      HIS  86   1.767  -2.429  -7.247
  680    HB3  HIS  86           1HB      HIS  86   0.201  -1.636  -7.135
  681    HD1  HIS  86           1HD      HIS  86   0.575  -0.978  -9.663
  682    HD2  HIS  86           2HD      HIS  86   3.231   0.760  -6.974
  683    HE1  HIS  86           1HE      HIS  86   1.666   0.909 -10.913
  684    HE2  HIS  86           2HE      HIS  86   3.208   2.008  -9.251
  685    H    VAL  87           H        VAL  87   2.313   0.819  -4.167
  686    HA   VAL  87           HA       VAL  87  -0.416   1.797  -3.744
  687    HB   VAL  87           HB       VAL  87   2.157   2.560  -2.354
  688   HG11  VAL  87          1HG1      VAL  87  -0.667   3.472  -1.827
  689   HG12  VAL  87          2HG1      VAL  87   0.643   4.462  -2.465
  690   HG13  VAL  87          3HG1      VAL  87   0.732   3.837  -0.819
  691   HG21  VAL  87          3HG2      VAL  87   1.149   1.454  -0.410
  692   HG22  VAL  87          1HG2      VAL  87   1.371   0.336  -1.756
  693   HG23  VAL  87          2HG2      VAL  87  -0.231   0.984  -1.403
  694    H    ILE  88           H        ILE  88  -1.116   3.224  -5.128
  695    HA   ILE  88           HA       ILE  88   0.774   5.098  -6.362
  696    HB   ILE  88           HB       ILE  88  -2.068   4.422  -7.143
  697   HG12  ILE  88          2HG1      ILE  88  -0.733   3.727  -9.299
  698   HG13  ILE  88          1HG1      ILE  88   0.623   3.603  -8.178
  699   HG21  ILE  88          1HG2      ILE  88  -1.577   6.746  -7.620
  700   HG22  ILE  88          2HG2      ILE  88  -1.692   5.812  -9.111
  701   HG23  ILE  88          3HG2      ILE  88  -0.112   6.276  -8.482
  702   HD11  ILE  88          3HD1      ILE  88  -0.646   1.991  -6.847
  703   HD12  ILE  88          1HD1      ILE  88  -0.441   1.452  -8.513
  704   HD13  ILE  88          2HD1      ILE  88  -1.988   2.115  -7.985
  705    H    PHE  89           H        PHE  89   0.496   7.281  -6.172
  706    HA   PHE  89           HA       PHE  89  -1.264   8.084  -3.979
  707    HB2  PHE  89           2HB      PHE  89   1.251   9.288  -5.107
  708    HB3  PHE  89           1HB      PHE  89   0.237  10.100  -3.925
  709    HD1  PHE  89           1HD      PHE  89  -0.382   8.707  -1.835
  710    HD2  PHE  89           2HD      PHE  89   2.949   7.920  -4.354
  711    HE1  PHE  89           1HE      PHE  89   0.672   7.418  -0.035
  712    HE2  PHE  89           2HE      PHE  89   4.009   6.631  -2.552
  713    HZ   PHE  89           HZ       PHE  89   2.851   6.382  -0.404
  714    H    ASP  90           H        ASP  90  -3.117   8.971  -4.621
  715    HA   ASP  90           HA       ASP  90  -3.471  10.117  -7.227
  716    HB2  ASP  90           2HB      ASP  90  -5.326  10.257  -4.836
  717    HB3  ASP  90           1HB      ASP  90  -5.754  10.596  -6.508
  718    H    GLU  91           H        GLU  91  -2.855  12.075  -7.770
  719    HA   GLU  91           HA       GLU  91  -2.232  14.016  -5.691
  720    HB2  GLU  91           2HB      GLU  91  -1.630  14.026  -8.652
  721    HB3  GLU  91           1HB      GLU  91  -1.096  15.248  -7.507
  722    HG2  GLU  91           2HG      GLU  91   0.237  13.614  -6.329
  723    HG3  GLU  91           1HG      GLU  91  -0.351  12.337  -7.396
  724    H    GLU  92           H        GLU  92  -3.656  15.497  -5.176
  725    HA   GLU  92           HA       GLU  92  -5.707  16.221  -7.155
  726    HB2  GLU  92           2HB      GLU  92  -6.017  15.994  -4.157
  727    HB3  GLU  92           1HB      GLU  92  -7.286  16.418  -5.298
  728    HG2  GLU  92           2HG      GLU  92  -5.811  13.801  -5.363
  729    HG3  GLU  92           1HG      GLU  92  -7.306  14.045  -4.473
  Start of MODEL   12
    1    H1   GLY   1           1HT      GLY   1  12.376 -12.454 -22.569
    2    H2   GLY   1           2HT      GLY   1  12.168 -12.202 -20.911
    3    H3   GLY   1           3HT      GLY   1  10.974 -11.705 -21.997
    4    HA2  GLY   1           1HA      GLY   1  11.771 -14.511 -21.506
    5    HA3  GLY   1           2HA      GLY   1  10.346 -13.738 -20.838
    6    H    SER   2           H        SER   2   8.619 -14.509 -21.834
    7    HA   SER   2           HA       SER   2   8.568 -14.441 -24.769
    8    HB2  SER   2           2HB      SER   2   8.885 -16.798 -23.862
    9    HB3  SER   2           1HB      SER   2   7.288 -16.647 -23.136
   10    HG   SER   2           HG       SER   2   6.955 -17.591 -25.084
   11    H    ALA   3           H        ALA   3   7.600 -12.874 -22.336
   12    HA   ALA   3           HA       ALA   3   5.850 -11.588 -21.733
   13    HB1  ALA   3           1HB      ALA   3   4.580 -12.450 -24.327
   14    HB2  ALA   3           2HB      ALA   3   5.693 -11.095 -24.138
   15    HB3  ALA   3           3HB      ALA   3   4.121 -11.064 -23.338
   16    H    MET   4           H        MET   4   3.227 -11.753 -21.676
   17    HA   MET   4           HA       MET   4   1.431 -12.728 -20.713
   18    HB2  MET   4           2HB      MET   4   2.784 -15.247 -21.655
   19    HB3  MET   4           1HB      MET   4   1.286 -15.282 -20.739
   20    HG2  MET   4           2HG      MET   4   0.736 -15.468 -23.036
   21    HG3  MET   4           1HG      MET   4   0.253 -13.861 -22.502
   22    HE1  MET   4           3HE      MET   4   1.305 -13.332 -26.252
   23    HE2  MET   4           1HE      MET   4   0.012 -13.151 -25.066
   24    HE3  MET   4           2HE      MET   4   0.530 -14.761 -25.568
   25    H    GLY   5           H        GLY   5   4.363 -12.652 -19.459
   26    HA2  GLY   5           2HA      GLY   5   4.872 -12.544 -17.179
   27    HA3  GLY   5           1HA      GLY   5   3.404 -13.445 -16.832
   28    H    HIS   6           H        HIS   6   6.660 -13.609 -16.703
   29    HA   HIS   6           HA       HIS   6   7.051 -16.342 -17.505
   30    HB2  HIS   6           2HB      HIS   6   8.876 -14.624 -17.503
   31    HB3  HIS   6           1HB      HIS   6   8.809 -14.613 -15.744
   32    HD1  HIS   6           1HD      HIS   6  11.159 -15.519 -15.382
   33    HD2  HIS   6           2HD      HIS   6   8.806 -17.975 -17.769
   34    HE1  HIS   6           1HE      HIS   6  12.459 -17.655 -15.646
   35    HE2  HIS   6           2HE      HIS   6  11.083 -19.066 -17.216
   36    H    MET   7           H        MET   7   6.673 -14.602 -14.459
   37    HA   MET   7           HA       MET   7   5.956 -17.149 -13.168
   38    HB2  MET   7           2HB      MET   7   7.418 -14.756 -12.139
   39    HB3  MET   7           1HB      MET   7   6.382 -15.633 -11.027
   40    HG2  MET   7           2HG      MET   7   8.602 -16.443 -10.781
   41    HG3  MET   7           1HG      MET   7   7.646 -17.698 -11.563
   42    HE1  MET   7           3HE      MET   7   9.857 -18.963 -12.240
   43    HE2  MET   7           1HE      MET   7  10.840 -17.712 -11.478
   44    HE3  MET   7           2HE      MET   7  11.187 -18.221 -13.129
   45    HA   PRO   8           HA       PRO   8   1.923 -15.315 -12.774
   46    HB2  PRO   8           2HB      PRO   8   1.309 -17.132 -10.601
   47    HB3  PRO   8           1HB      PRO   8   0.704 -17.145 -12.257
   48    HG2  PRO   8           2HG      PRO   8   2.386 -19.042 -11.247
   49    HG3  PRO   8           1HG      PRO   8   2.295 -18.617 -12.964
   50    HD2  PRO   8           2HD      PRO   8   4.308 -17.803 -10.911
   51    HD3  PRO   8           1HD      PRO   8   4.538 -18.210 -12.625
   52    H    ALA   9           H        ALA   9   3.180 -13.450 -11.800
   53    HA   ALA   9           HA       ALA   9   3.059 -13.288  -8.902
   54    HB1  ALA   9           1HB      ALA   9   5.047 -12.454 -10.078
   55    HB2  ALA   9           2HB      ALA   9   4.244 -11.182  -9.156
   56    HB3  ALA   9           3HB      ALA   9   4.044 -11.262 -10.906
   57    H    VAL  10           H        VAL  10   1.582 -12.223  -7.774
   58    HA   VAL  10           HA       VAL  10  -0.554 -10.906  -9.284
   59    HB   VAL  10           HB       VAL  10  -1.821 -11.079  -7.089
   60   HG11  VAL  10          1HG1      VAL  10  -0.956 -13.633  -8.445
   61   HG12  VAL  10          2HG1      VAL  10  -2.254 -12.563  -8.978
   62   HG13  VAL  10          3HG1      VAL  10  -2.400 -13.435  -7.452
   63   HG21  VAL  10          3HG2      VAL  10  -1.061 -12.710  -5.472
   64   HG22  VAL  10          1HG2      VAL  10   0.140 -11.434  -5.662
   65   HG23  VAL  10          2HG2      VAL  10   0.397 -13.004  -6.421
   66    H    ASP  11           H        ASP  11  -1.104  -8.846  -8.959
   67    HA   ASP  11           HA       ASP  11   0.574  -7.276  -7.118
   68    HB2  ASP  11           2HB      ASP  11  -0.708  -6.394  -9.720
   69    HB3  ASP  11           1HB      ASP  11   0.215  -5.357  -8.643
   70    H    VAL  12           H        VAL  12  -0.428  -5.924  -5.697
   71    HA   VAL  12           HA       VAL  12  -3.362  -5.769  -5.896
   72    HB   VAL  12           HB       VAL  12  -2.115  -6.889  -3.820
   73   HG11  VAL  12          1HG1      VAL  12  -0.793  -5.090  -3.086
   74   HG12  VAL  12          2HG1      VAL  12  -2.111  -5.240  -1.930
   75   HG13  VAL  12          3HG1      VAL  12  -2.147  -3.967  -3.152
   76   HG21  VAL  12          3HG2      VAL  12  -4.514  -6.804  -4.112
   77   HG22  VAL  12          1HG2      VAL  12  -4.539  -5.114  -3.604
   78   HG23  VAL  12          2HG2      VAL  12  -4.087  -6.374  -2.457
   79    H    GLU  13           H        GLU  13  -4.346  -3.762  -5.664
   80    HA   GLU  13           HA       GLU  13  -2.500  -1.530  -6.080
   81    HB2  GLU  13           2HB      GLU  13  -4.495  -0.400  -7.107
   82    HB3  GLU  13           1HB      GLU  13  -3.933  -1.825  -7.971
   83    HG2  GLU  13           2HG      GLU  13  -5.738  -3.126  -7.224
   84    HG3  GLU  13           1HG      GLU  13  -6.174  -1.952  -5.984
   85    H    ILE  14           H        ILE  14  -2.226  -0.258  -4.393
   86    HA   ILE  14           HA       ILE  14  -4.550   0.226  -2.657
   87    HB   ILE  14           HB       ILE  14  -1.626   0.549  -1.947
   88   HG12  ILE  14          2HG1      ILE  14  -3.652  -1.580  -1.213
   89   HG13  ILE  14          1HG1      ILE  14  -2.148  -1.805  -2.099
   90   HG21  ILE  14          1HG2      ILE  14  -3.064   2.143  -0.801
   91   HG22  ILE  14          2HG2      ILE  14  -2.447   0.935   0.327
   92   HG23  ILE  14          3HG2      ILE  14  -4.108   0.829  -0.255
   93   HD11  ILE  14          3HD1      ILE  14  -2.454  -1.100   0.811
   94   HD12  ILE  14          1HD1      ILE  14  -0.911  -1.159  -0.049
   95   HD13  ILE  14          2HD1      ILE  14  -1.879  -2.623   0.130
   96    H    HIS  15           H        HIS  15  -5.376   2.233  -2.787
   97    HA   HIS  15           HA       HIS  15  -3.688   4.273  -4.058
   98    HB2  HIS  15           2HB      HIS  15  -6.679   3.897  -4.120
   99    HB3  HIS  15           1HB      HIS  15  -5.888   5.374  -4.664
  100    HD1  HIS  15           1HD      HIS  15  -6.946   2.115  -5.821
  101    HD2  HIS  15           2HD      HIS  15  -4.014   4.858  -6.885
  102    HE1  HIS  15           1HE      HIS  15  -6.207   1.442  -8.121
  103    HE2  HIS  15           2HE      HIS  15  -4.573   3.225  -8.818
  104    H    PHE  16           H        PHE  16  -2.876   5.603  -2.665
  105    HA   PHE  16           HA       PHE  16  -4.541   6.497  -0.416
  106    HB2  PHE  16           2HB      PHE  16  -1.564   6.570  -0.844
  107    HB3  PHE  16           1HB      PHE  16  -2.359   7.403   0.479
  108    HD1  PHE  16           1HD      PHE  16  -4.414   5.216   1.056
  109    HD2  PHE  16           2HD      PHE  16  -0.214   5.124   0.407
  110    HE1  PHE  16           1HE      PHE  16  -4.247   3.197   2.446
  111    HE2  PHE  16           2HE      PHE  16  -0.038   3.099   1.788
  112    HZ   PHE  16           HZ       PHE  16  -2.056   2.135   2.810
  113    HA   PRO  17           HA       PRO  17  -5.045  10.236  -2.838
  114    HB2  PRO  17           2HB      PRO  17  -6.121  11.162  -0.253
  115    HB3  PRO  17           1HB      PRO  17  -6.867  11.194  -1.849
  116    HG2  PRO  17           2HG      PRO  17  -7.667   9.480   0.030
  117    HG3  PRO  17           1HG      PRO  17  -7.613   9.018  -1.682
  118    HD2  PRO  17           2HD      PRO  17  -5.737   8.325   0.530
  119    HD3  PRO  17           1HD      PRO  17  -6.292   7.335  -0.836
  120    H    LEU  18           H        LEU  18  -3.471  11.612  -3.107
  121    HA   LEU  18           HA       LEU  18  -1.154  11.512  -1.630
  122    HB2  LEU  18           2HB      LEU  18  -1.295  12.169  -3.967
  123    HB3  LEU  18           1HB      LEU  18  -2.098  13.657  -3.519
  124    HG   LEU  18           HG       LEU  18  -0.101  14.511  -2.495
  125   HD11  LEU  18          1HD1      LEU  18   1.989  13.247  -2.484
  126   HD12  LEU  18          2HD1      LEU  18   1.147  11.842  -3.136
  127   HD13  LEU  18          3HD1      LEU  18   0.750  12.440  -1.525
  128   HD21  LEU  18          3HD2      LEU  18   0.585  13.219  -5.128
  129   HD22  LEU  18          1HD2      LEU  18   1.346  14.646  -4.426
  130   HD23  LEU  18          2HD2      LEU  18  -0.340  14.711  -4.940
  131    H    LYS  19           H        LYS  19  -3.762  13.903  -1.367
  132    HA   LYS  19           HA       LYS  19  -2.178  15.508   0.413
  133    HB2  LYS  19           2HB      LYS  19  -4.300  16.821   0.739
  134    HB3  LYS  19           1HB      LYS  19  -3.624  16.799  -0.879
  135    HG2  LYS  19           2HG      LYS  19  -5.306  15.171  -1.561
  136    HG3  LYS  19           1HG      LYS  19  -5.968  15.167   0.078
  137    HD2  LYS  19           2HD      LYS  19  -6.460  17.562  -0.116
  138    HD3  LYS  19           1HD      LYS  19  -5.791  17.566  -1.744
  139    HE2  LYS  19           2HE      LYS  19  -8.308  17.469  -1.541
  140    HE3  LYS  19           1HE      LYS  19  -7.537  16.294  -2.595
  141    HZ1  LYS  19           3HZ      LYS  19  -7.839  14.593  -1.022
  142    HZ2  LYS  19           1HZ      LYS  19  -9.318  15.418  -1.087
  143    HZ3  LYS  19           2HZ      LYS  19  -8.264  15.687   0.205
  144    H    ARG  20           H        ARG  20  -4.500  12.933   0.866
  145    HA   ARG  20           HA       ARG  20  -4.994  13.669   3.627
  146    HB2  ARG  20           2HB      ARG  20  -5.548  10.922   2.588
  147    HB3  ARG  20           1HB      ARG  20  -6.450  11.867   3.759
  148    HG2  ARG  20           2HG      ARG  20  -6.368  12.487   0.834
  149    HG3  ARG  20           1HG      ARG  20  -7.580  11.459   1.594
  150    HD2  ARG  20           2HD      ARG  20  -7.064  14.382   2.113
  151    HD3  ARG  20           1HD      ARG  20  -8.447  13.662   1.284
  152    HE   ARG  20           HE       ARG  20  -8.955  12.583   3.495
  153   HH11  ARG  20          1HH1      ARG  20  -7.218  15.628   3.296
  154   HH12  ARG  20          2HH1      ARG  20  -7.817  16.213   4.810
  155   HH21  ARG  20          1HH2      ARG  20  -9.752  13.376   5.482
  156   HH22  ARG  20          2HH2      ARG  20  -9.250  14.935   6.051
  157    H    ILE  21           H        ILE  21  -3.007  11.368   1.850
  158    HA   ILE  21           HA       ILE  21  -2.257   9.816   4.113
  159    HB   ILE  21           HB       ILE  21  -2.189   8.928   1.827
  160   HG12  ILE  21          2HG1      ILE  21  -0.022   7.755   1.994
  161   HG13  ILE  21          1HG1      ILE  21   0.510   8.924   3.199
  162   HG21  ILE  21          1HG2      ILE  21  -1.422  10.832   0.591
  163   HG22  ILE  21          2HG2      ILE  21  -0.270   9.518   0.356
  164   HG23  ILE  21          3HG2      ILE  21   0.110  10.836   1.461
  165   HD11  ILE  21          3HD1      ILE  21  -0.193   6.830   4.216
  166   HD12  ILE  21          1HD1      ILE  21  -1.793   7.011   3.498
  167   HD13  ILE  21          2HD1      ILE  21  -1.237   8.160   4.713
  168    H    ALA  22           H        ALA  22  -1.014  12.721   2.651
  169    HA   ALA  22           HA       ALA  22   1.543  12.641   3.929
  170    HB1  ALA  22           1HB      ALA  22   1.170  13.902   1.862
  171    HB2  ALA  22           2HB      ALA  22   1.782  14.938   3.152
  172    HB3  ALA  22           3HB      ALA  22   0.072  14.982   2.720
  173    H    ALA  23           H        ALA  23  -1.614  13.510   4.890
  174    HA   ALA  23           HA       ALA  23  -0.763  15.331   6.988
  175    HB1  ALA  23           1HB      ALA  23  -3.511  14.305   6.282
  176    HB2  ALA  23           2HB      ALA  23  -2.801  15.819   5.721
  177    HB3  ALA  23           3HB      ALA  23  -3.150  15.591   7.436
  178    H    GLU  24           H        GLU  24  -2.152  14.872   9.137
  179    HA   GLU  24           HA       GLU  24  -1.492  12.114   9.911
  180    HB2  GLU  24           2HB      GLU  24  -0.033  13.900  10.911
  181    HB3  GLU  24           1HB      GLU  24  -1.458  14.520  11.736
  182    HG2  GLU  24           2HG      GLU  24  -1.667  12.577  13.049
  183    HG3  GLU  24           1HG      GLU  24  -0.525  11.685  12.046
  184    H    GLY  25           H        GLY  25  -3.974  13.636   8.958
  185    HA2  GLY  25           2HA      GLY  25  -5.763  12.467  10.997
  186    HA3  GLY  25           1HA      GLY  25  -6.234  13.759   9.891
  187    H    TYR  26           H        TYR  26  -4.222  11.152   8.917
  188    HA   TYR  26           HA       TYR  26  -5.820  10.685   6.624
  189    HB2  TYR  26           2HB      TYR  26  -4.085   9.016   6.056
  190    HB3  TYR  26           1HB      TYR  26  -3.397  10.567   6.518
  191    HD1  TYR  26           2HD      TYR  26  -2.288  10.850   8.691
  192    HD2  TYR  26           1HD      TYR  26  -3.659   7.035   7.415
  193    HE1  TYR  26           2HE      TYR  26  -0.911   9.785  10.424
  194    HE2  TYR  26           1HE      TYR  26  -2.288   5.958   9.147
  195    HH   TYR  26           HH       TYR  26  -0.837   7.708  11.691
  196    H    ALA  27           H        ALA  27  -5.339   8.975   9.667
  197    HA   ALA  27           HA       ALA  27  -6.679   6.587   8.814
  198    HB1  ALA  27           1HB      ALA  27  -6.520   5.896  11.143
  199    HB2  ALA  27           2HB      ALA  27  -6.031   7.524  11.609
  200    HB3  ALA  27           3HB      ALA  27  -4.980   6.546  10.584
  201    H    GLU  28           H        GLU  28  -7.636   9.646   9.945
  202    HA   GLU  28           HA       GLU  28 -10.315   8.765  10.676
  203    HB2  GLU  28           2HB      GLU  28  -8.986  11.478  10.654
  204    HB3  GLU  28           1HB      GLU  28 -10.694  11.258  10.993
  205    HG2  GLU  28           2HG      GLU  28  -9.557  11.471  13.065
  206    HG3  GLU  28           1HG      GLU  28 -10.062   9.792  12.900
  207    H    ASP  29           H        ASP  29  -8.669   9.279   7.912
  208    HA   ASP  29           HA       ASP  29 -10.782  10.657   6.467
  209    HB2  ASP  29           2HB      ASP  29  -8.559  11.326   5.867
  210    HB3  ASP  29           1HB      ASP  29  -8.067   9.653   5.612
  211    H    GLU  30           H        GLU  30 -12.395   9.617   5.627
  212    HA   GLU  30           HA       GLU  30 -12.764   6.868   5.810
  213    HB2  GLU  30           2HB      GLU  30 -14.587   8.517   5.702
  214    HB3  GLU  30           1HB      GLU  30 -14.181   8.852   4.026
  215    HG2  GLU  30           2HG      GLU  30 -14.702   6.497   3.477
  216    HG3  GLU  30           1HG      GLU  30 -15.225   6.263   5.145
  217    H    LEU  31           H        LEU  31 -11.293   8.767   3.296
  218    HA   LEU  31           HA       LEU  31 -11.796   6.957   1.180
  219    HB2  LEU  31           2HB      LEU  31 -11.344   9.438   1.019
  220    HB3  LEU  31           1HB      LEU  31  -9.672   9.090   1.399
  221    HG   LEU  31           HG       LEU  31  -9.309   8.031  -0.676
  222   HD11  LEU  31          1HD1      LEU  31 -11.158   7.624  -2.274
  223   HD12  LEU  31          2HD1      LEU  31 -12.297   8.063  -1.000
  224   HD13  LEU  31          3HD1      LEU  31 -11.264   6.644  -0.813
  225   HD21  LEU  31          3HD2      LEU  31  -9.962   9.722  -2.289
  226   HD22  LEU  31          1HD2      LEU  31  -9.462  10.478  -0.778
  227   HD23  LEU  31          2HD2      LEU  31 -11.176  10.344  -1.171
  228    H    LEU  32           H        LEU  32  -9.086   7.638   3.376
  229    HA   LEU  32           HA       LEU  32  -7.292   5.762   2.291
  230    HB2  LEU  32           2HB      LEU  32  -7.121   7.696   4.145
  231    HB3  LEU  32           1HB      LEU  32  -7.292   6.310   5.208
  232    HG   LEU  32           HG       LEU  32  -5.398   5.329   3.701
  233   HD11  LEU  32          1HD1      LEU  32  -3.814   7.050   2.981
  234   HD12  LEU  32          2HD1      LEU  32  -4.984   8.297   3.416
  235   HD13  LEU  32          3HD1      LEU  32  -5.347   7.159   2.119
  236   HD21  LEU  32          3HD2      LEU  32  -5.169   5.609   6.061
  237   HD22  LEU  32          1HD2      LEU  32  -5.010   7.354   5.884
  238   HD23  LEU  32          2HD2      LEU  32  -3.739   6.290   5.286
  239    H    LEU  33           H        LEU  33  -9.769   5.642   4.755
  240    HA   LEU  33           HA       LEU  33  -9.318   3.027   5.689
  241    HB2  LEU  33           2HB      LEU  33 -11.181   5.136   6.103
  242    HB3  LEU  33           1HB      LEU  33 -12.055   3.634   5.886
  243    HG   LEU  33           HG       LEU  33 -11.589   4.111   8.251
  244   HD11  LEU  33          1HD1      LEU  33 -11.821   1.800   7.550
  245   HD12  LEU  33          2HD1      LEU  33 -10.625   1.940   8.840
  246   HD13  LEU  33          3HD1      LEU  33 -10.100   1.729   7.170
  247   HD21  LEU  33          3HD2      LEU  33  -9.295   3.984   9.093
  248   HD22  LEU  33          1HD2      LEU  33  -9.506   5.338   7.984
  249   HD23  LEU  33          2HD2      LEU  33  -8.697   3.869   7.440
  250    H    ASN  34           H        ASN  34 -11.427   4.307   3.151
  251    HA   ASN  34           HA       ASN  34 -12.775   1.923   2.557
  252    HB2  ASN  34           2HB      ASN  34 -12.111   4.304   0.817
  253    HB3  ASN  34           1HB      ASN  34 -13.107   2.963   0.263
  254   HD21  ASN  34          1HD2      ASN  34 -13.744   5.799   0.645
  255   HD22  ASN  34          2HD2      ASN  34 -15.087   5.844   1.727
  256    H    GLN  35           H        GLN  35  -9.800   3.281   1.161
  257    HA   GLN  35           HA       GLN  35  -9.476   1.206  -0.751
  258    HB2  GLN  35           2HB      GLN  35  -7.625   3.275   0.373
  259    HB3  GLN  35           1HB      GLN  35  -6.983   1.984  -0.629
  260    HG2  GLN  35           2HG      GLN  35  -7.327   3.767  -2.090
  261    HG3  GLN  35           1HG      GLN  35  -8.693   2.695  -2.368
  262   HE21  GLN  35          1HE2      GLN  35  -7.669   5.721  -0.933
  263   HE22  GLN  35          2HE2      GLN  35  -9.246   6.407  -0.860
  264    H    MET  36           H        MET  36  -8.110   1.683   2.490
  265    HA   MET  36           HA       MET  36  -6.903  -0.976   2.314
  266    HB2  MET  36           2HB      MET  36  -6.459   1.327   4.189
  267    HB3  MET  36           1HB      MET  36  -5.870  -0.290   4.557
  268    HG2  MET  36           2HG      MET  36  -5.161   1.394   2.173
  269    HG3  MET  36           1HG      MET  36  -4.110   0.966   3.522
  270    HE1  MET  36           3HE      MET  36  -2.961  -1.491   3.781
  271    HE2  MET  36           1HE      MET  36  -3.636  -2.888   2.949
  272    HE3  MET  36           2HE      MET  36  -4.629  -1.976   4.087
  273    H    GLY  37           H        GLY  37  -9.829  -0.099   2.870
  274    HA2  GLY  37           2HA      GLY  37 -10.218  -2.095   4.992
  275    HA3  GLY  37           1HA      GLY  37 -11.475  -1.080   4.282
  276    H    LYS  38           H        LYS  38 -10.745  -1.447   1.589
  277    HA   LYS  38           HA       LYS  38 -11.859  -3.960   0.890
  278    HB2  LYS  38           2HB      LYS  38 -10.125  -2.146  -0.787
  279    HB3  LYS  38           1HB      LYS  38 -11.223  -3.384  -1.389
  280    HG2  LYS  38           2HG      LYS  38 -12.006  -0.862   0.058
  281    HG3  LYS  38           1HG      LYS  38 -12.166  -1.167  -1.671
  282    HD2  LYS  38           2HD      LYS  38 -13.796  -2.874  -1.288
  283    HD3  LYS  38           1HD      LYS  38 -13.521  -2.817   0.455
  284    HE2  LYS  38           2HE      LYS  38 -15.573  -1.640  -0.175
  285    HE3  LYS  38           1HE      LYS  38 -14.390  -0.551   0.543
  286    HZ1  LYS  38           3HZ      LYS  38 -13.791   0.206  -1.662
  287    HZ2  LYS  38           1HZ      LYS  38 -15.446   0.417  -1.401
  288    HZ3  LYS  38           2HZ      LYS  38 -14.900  -0.859  -2.366
  289    H    VAL  39           H        VAL  39  -8.615  -2.726   0.142
  290    HA   VAL  39           HA       VAL  39  -7.475  -5.366  -0.001
  291    HB   VAL  39           HB       VAL  39  -6.194  -2.625  -0.020
  292   HG11  VAL  39          1HG1      VAL  39  -4.955  -5.303  -0.636
  293   HG12  VAL  39          2HG1      VAL  39  -4.571  -4.254   0.731
  294   HG13  VAL  39          3HG1      VAL  39  -4.193  -3.736  -0.911
  295   HG21  VAL  39          3HG2      VAL  39  -6.746  -4.531  -2.285
  296   HG22  VAL  39          1HG2      VAL  39  -5.987  -2.944  -2.416
  297   HG23  VAL  39          2HG2      VAL  39  -7.674  -3.078  -1.920
  298    H    ASN  40           H        ASN  40  -8.116  -6.046   2.128
  299    HA   ASN  40           HA       ASN  40  -6.241  -5.596   4.204
  300    HB2  ASN  40           2HB      ASN  40  -7.459  -3.432   4.161
  301    HB3  ASN  40           1HB      ASN  40  -8.940  -4.302   4.558
  302   HD21  ASN  40          1HD2      ASN  40  -5.731  -3.549   5.672
  303   HD22  ASN  40          2HD2      ASN  40  -6.065  -3.717   7.358
  304    H    ASP  41           H        ASP  41  -9.571  -6.408   3.391
  305    HA   ASP  41           HA       ASP  41  -9.922  -8.139   5.624
  306    HB2  ASP  41           2HB      ASP  41 -11.836  -7.144   4.433
  307    HB3  ASP  41           1HB      ASP  41 -11.427  -8.070   2.992
  308    H    THR  42           H        THR  42  -8.994  -8.621   2.248
  309    HA   THR  42           HA       THR  42  -7.721 -11.130   3.031
  310    HB   THR  42           HB       THR  42  -8.494 -12.049   0.727
  311    HG1  THR  42           1HG      THR  42 -10.806 -10.519   1.185
  312   HG21  THR  42          3HG2      THR  42 -10.503 -13.026   1.745
  313   HG22  THR  42          1HG2      THR  42 -10.434 -11.826   3.034
  314   HG23  THR  42          2HG2      THR  42  -9.149 -13.022   2.873
  315    HA   PRO  43           HA       PRO  43  -5.134  -8.552   0.170
  316    HB2  PRO  43           2HB      PRO  43  -3.305  -7.601   1.855
  317    HB3  PRO  43           1HB      PRO  43  -4.917  -6.884   1.775
  318    HG2  PRO  43           2HG      PRO  43  -3.750  -8.716   3.810
  319    HG3  PRO  43           1HG      PRO  43  -4.901  -7.386   4.021
  320    HD2  PRO  43           2HD      PRO  43  -5.517 -10.134   3.849
  321    HD3  PRO  43           1HD      PRO  43  -6.669  -8.789   3.767
  322    H    GLU  44           H        GLU  44  -5.052 -11.429   1.088
  323    HA   GLU  44           HA       GLU  44  -3.790 -13.244   0.602
  324    HB2  GLU  44           2HB      GLU  44  -2.959 -11.943  -1.338
  325    HB3  GLU  44           1HB      GLU  44  -1.669 -11.306  -0.331
  326    HG2  GLU  44           2HG      GLU  44  -0.781 -13.069  -1.661
  327    HG3  GLU  44           1HG      GLU  44  -0.867 -13.633   0.007
  328    H    GLU  45           H        GLU  45  -1.849 -10.656   2.037
  329    HA   GLU  45           HA       GLU  45  -0.125 -12.478   3.411
  330    HB2  GLU  45           2HB      GLU  45   0.026  -9.851   2.657
  331    HB3  GLU  45           1HB      GLU  45  -0.222  -9.720   4.390
  332    HG2  GLU  45           2HG      GLU  45   1.915 -11.418   3.148
  333    HG3  GLU  45           1HG      GLU  45   2.148  -9.744   3.632
  334    H    GLU  46           H        GLU  46  -1.813  -9.818   5.022
  335    HA   GLU  46           HA       GLU  46  -2.913 -11.740   6.947
  336    HB2  GLU  46           2HB      GLU  46  -1.517  -9.147   7.632
  337    HB3  GLU  46           1HB      GLU  46  -2.382 -10.155   8.779
  338    HG2  GLU  46           2HG      GLU  46  -0.800 -11.967   8.389
  339    HG3  GLU  46           1HG      GLU  46   0.054 -10.968   7.213
  340    H    GLY  47           H        GLY  47  -2.983  -8.227   7.116
  341    HA2  GLY  47           2HA      GLY  47  -5.268  -7.568   5.814
  342    HA3  GLY  47           1HA      GLY  47  -5.848  -8.292   7.298
  343    H    MET  48           H        MET  48  -5.853  -7.130   9.128
  344    HA   MET  48           HA       MET  48  -5.802  -4.382   8.987
  345    HB2  MET  48           2HB      MET  48  -7.077  -5.600  10.648
  346    HB3  MET  48           1HB      MET  48  -5.589  -6.132  11.422
  347    HG2  MET  48           2HG      MET  48  -6.627  -4.293  12.621
  348    HG3  MET  48           1HG      MET  48  -5.025  -3.876  12.015
  349    HE1  MET  48           3HE      MET  48  -4.857  -1.536  11.775
  350    HE2  MET  48           1HE      MET  48  -6.237  -1.459  12.868
  351    HE3  MET  48           2HE      MET  48  -6.187  -0.424  11.438
  352    HA   PRO  49           HA       PRO  49  -1.329  -4.491  11.033
  353    HB2  PRO  49           2HB      PRO  49  -0.394  -7.010   9.761
  354    HB3  PRO  49           1HB      PRO  49  -0.040  -6.363  11.368
  355    HG2  PRO  49           2HG      PRO  49  -1.700  -8.409  11.100
  356    HG3  PRO  49           1HG      PRO  49  -2.052  -7.111  12.254
  357    HD2  PRO  49           2HD      PRO  49  -3.199  -7.581   9.530
  358    HD3  PRO  49           1HD      PRO  49  -4.020  -7.127  11.030
  359    H    LEU  50           H        LEU  50  -2.086  -5.981   7.943
  360    HA   LEU  50           HA       LEU  50   0.017  -5.015   6.385
  361    HB2  LEU  50           2HB      LEU  50  -2.822  -5.715   5.779
  362    HB3  LEU  50           1HB      LEU  50  -1.785  -5.055   4.537
  363    HG   LEU  50           HG       LEU  50  -2.072  -7.744   5.318
  364   HD11  LEU  50          1HD1      LEU  50  -1.768  -6.792   3.085
  365   HD12  LEU  50          2HD1      LEU  50  -0.599  -8.074   3.418
  366   HD13  LEU  50          3HD1      LEU  50  -0.101  -6.383   3.496
  367   HD21  LEU  50          3HD2      LEU  50   0.178  -8.434   5.834
  368   HD22  LEU  50          1HD2      LEU  50  -0.343  -7.272   7.051
  369   HD23  LEU  50          2HD2      LEU  50   0.753  -6.770   5.764
  370    H    ARG  51           H        ARG  51  -3.115  -3.635   7.134
  371    HA   ARG  51           HA       ARG  51  -2.818  -1.283   5.631
  372    HB2  ARG  51           2HB      ARG  51  -4.974  -1.724   6.190
  373    HB3  ARG  51           1HB      ARG  51  -4.581  -2.233   7.821
  374    HG2  ARG  51           2HG      ARG  51  -4.296   0.096   8.478
  375    HG3  ARG  51           1HG      ARG  51  -4.660   0.605   6.825
  376    HD2  ARG  51           2HD      ARG  51  -6.878  -0.121   6.962
  377    HD3  ARG  51           1HD      ARG  51  -6.553  -1.126   8.372
  378    HE   ARG  51           HE       ARG  51  -6.171   1.704   8.804
  379   HH11  ARG  51          1HH1      ARG  51  -8.427  -0.965   8.853
  380   HH12  ARG  51          2HH1      ARG  51  -9.474  -0.233  10.024
  381   HH21  ARG  51          1HH2      ARG  51  -7.545   2.675  10.351
  382   HH22  ARG  51          2HH2      ARG  51  -8.965   1.835  10.888
  383    H    ALA  52           H        ALA  52  -2.203  -1.923   9.072
  384    HA   ALA  52           HA       ALA  52  -1.373   0.653   9.742
  385    HB1  ALA  52           1HB      ALA  52  -1.883  -1.099  11.387
  386    HB2  ALA  52           2HB      ALA  52  -0.310  -0.357  11.680
  387    HB3  ALA  52           3HB      ALA  52  -0.408  -1.948  10.927
  388    H    TRP  53           H        TRP  53   0.570  -2.126   8.569
  389    HA   TRP  53           HA       TRP  53   3.002  -0.650   8.827
  390    HB2  TRP  53           2HB      TRP  53   4.130  -2.572   8.284
  391    HB3  TRP  53           1HB      TRP  53   2.609  -3.254   8.813
  392    HD1  TRP  53           HD       TRP  53   1.513  -4.928   7.292
  393    HE1  TRP  53           1HE      TRP  53   1.864  -5.735   4.866
  394    HE3  TRP  53           3HE      TRP  53   5.035  -1.541   5.802
  395    HZ2  TRP  53           2HZ      TRP  53   3.423  -5.034   2.639
  396    HZ3  TRP  53           3HZ      TRP  53   5.919  -1.692   3.515
  397    HH2  TRP  53           HH       TRP  53   5.129  -3.408   1.969
  398    H    VAL  54           H        VAL  54   0.876  -1.432   6.113
  399    HA   VAL  54           HA       VAL  54   2.676  -0.417   4.167
  400    HB   VAL  54           HB       VAL  54   0.634  -2.071   3.961
  401   HG11  VAL  54          1HG1      VAL  54  -1.260  -1.028   2.788
  402   HG12  VAL  54          2HG1      VAL  54  -0.589   0.560   3.161
  403   HG13  VAL  54          3HG1      VAL  54  -1.118  -0.501   4.465
  404   HG21  VAL  54          3HG2      VAL  54   1.507  -0.183   1.777
  405   HG22  VAL  54          1HG2      VAL  54   0.689  -1.725   1.529
  406   HG23  VAL  54          2HG2      VAL  54   2.299  -1.689   2.246
  407    H    ILE  55           H        ILE  55  -0.179   0.961   5.795
  408    HA   ILE  55           HA       ILE  55  -0.142   3.415   4.417
  409    HB   ILE  55           HB       ILE  55  -1.147   2.740   7.179
  410   HG12  ILE  55          2HG1      ILE  55  -2.579   3.197   4.559
  411   HG13  ILE  55          1HG1      ILE  55  -2.294   1.632   5.319
  412   HG21  ILE  55          1HG2      ILE  55  -0.624   5.111   7.098
  413   HG22  ILE  55          2HG2      ILE  55  -2.366   4.846   7.140
  414   HG23  ILE  55          3HG2      ILE  55  -1.578   5.284   5.621
  415   HD11  ILE  55          3HD1      ILE  55  -3.975   3.868   6.426
  416   HD12  ILE  55          1HD1      ILE  55  -3.677   2.319   7.215
  417   HD13  ILE  55          2HD1      ILE  55  -4.565   2.377   5.689
  418    H    LYS  56           H        LYS  56   1.434   2.423   7.468
  419    HA   LYS  56           HA       LYS  56   2.514   4.973   8.011
  420    HB2  LYS  56           2HB      LYS  56   2.329   3.177   9.707
  421    HB3  LYS  56           1HB      LYS  56   3.617   2.301   8.886
  422    HG2  LYS  56           2HG      LYS  56   5.161   4.128   9.323
  423    HG3  LYS  56           1HG      LYS  56   3.875   5.040  10.111
  424    HD2  LYS  56           2HD      LYS  56   3.664   3.220  11.775
  425    HD3  LYS  56           1HD      LYS  56   5.034   2.409  11.015
  426    HE2  LYS  56           2HE      LYS  56   5.765   3.657  12.965
  427    HE3  LYS  56           1HE      LYS  56   6.443   4.356  11.496
  428    HZ1  LYS  56           3HZ      LYS  56   4.041   5.386  12.904
  429    HZ2  LYS  56           1HZ      LYS  56   4.801   6.094  11.572
  430    HZ3  LYS  56           2HZ      LYS  56   5.596   6.030  13.062
  431    H    CYS  57           H        CYS  57   3.943   2.130   6.400
  432    HA   CYS  57           HA       CYS  57   6.482   3.263   5.997
  433    HB2  CYS  57           2HB      CYS  57   5.034   1.141   4.410
  434    HB3  CYS  57           1HB      CYS  57   6.734   1.549   4.197
  435    HG   CYS  57           HG       CYS  57   5.240   0.010   6.839
  436    H    ALA  58           H        ALA  58   3.602   3.257   3.921
  437    HA   ALA  58           HA       ALA  58   4.773   4.663   1.767
  438    HB1  ALA  58           1HB      ALA  58   2.493   5.083   1.033
  439    HB2  ALA  58           2HB      ALA  58   1.879   4.601   2.612
  440    HB3  ALA  58           3HB      ALA  58   2.669   3.415   1.574
  441    H    HIS  59           H        HIS  59   3.086   5.696   4.673
  442    HA   HIS  59           HA       HIS  59   2.908   8.444   4.131
  443    HB2  HIS  59           2HB      HIS  59   1.801   7.117   6.011
  444    HB3  HIS  59           1HB      HIS  59   3.338   7.204   6.859
  445    HD1  HIS  59           1HD      HIS  59   1.403   8.388   8.525
  446    HD2  HIS  59           2HD      HIS  59   2.908  10.570   5.328
  447    HE1  HIS  59           1HE      HIS  59   0.851  10.787   9.027
  448    HE2  HIS  59           2HE      HIS  59   1.847  12.099   7.128
  449    H    GLU  60           H        GLU  60   5.366   6.606   5.927
  450    HA   GLU  60           HA       GLU  60   7.110   8.739   6.454
  451    HB2  GLU  60           2HB      GLU  60   7.736   5.805   6.084
  452    HB3  GLU  60           1HB      GLU  60   8.827   6.985   6.792
  453    HG2  GLU  60           2HG      GLU  60   6.140   6.211   7.901
  454    HG3  GLU  60           1HG      GLU  60   7.697   5.615   8.475
  455    H    ALA  61           H        ALA  61   6.978   6.446   3.759
  456    HA   ALA  61           HA       ALA  61   9.343   7.259   2.479
  457    HB1  ALA  61           1HB      ALA  61   8.482   6.106   0.515
  458    HB2  ALA  61           2HB      ALA  61   6.867   6.067   1.225
  459    HB3  ALA  61           3HB      ALA  61   8.179   5.155   1.970
  460    H    LEU  62           H        LEU  62   5.993   8.338   2.111
  461    HA   LEU  62           HA       LEU  62   6.525   9.991  -0.136
  462    HB2  LEU  62           2HB      LEU  62   4.319   9.106   0.263
  463    HB3  LEU  62           1HB      LEU  62   4.214   9.969   1.781
  464    HG   LEU  62           HG       LEU  62   4.678  12.016   0.051
  465   HD11  LEU  62          1HD1      LEU  62   2.883  10.078  -1.387
  466   HD12  LEU  62          2HD1      LEU  62   4.538  10.476  -1.862
  467   HD13  LEU  62          3HD1      LEU  62   3.289  11.720  -1.886
  468   HD21  LEU  62          3HD2      LEU  62   2.012  10.858   0.830
  469   HD22  LEU  62          1HD2      LEU  62   2.300  12.504   0.268
  470   HD23  LEU  62          2HD2      LEU  62   2.991  11.961   1.798
  471    H    GLU  63           H        GLU  63   6.137  10.713   3.345
  472    HA   GLU  63           HA       GLU  63   6.258  13.521   2.993
  473    HB2  GLU  63           2HB      GLU  63   6.901  11.832   5.416
  474    HB3  GLU  63           1HB      GLU  63   6.846  13.589   5.431
  475    HG2  GLU  63           2HG      GLU  63   4.459  13.425   4.662
  476    HG3  GLU  63           1HG      GLU  63   4.576  11.686   4.934
  477    H    LYS  64           H        LYS  64   8.735  11.102   3.035
  478    HA   LYS  64           HA       LYS  64  10.804  13.135   3.497
  479    HB2  LYS  64           2HB      LYS  64  10.957  10.121   3.366
  480    HB3  LYS  64           1HB      LYS  64  12.345  11.176   3.604
  481    HG2  LYS  64           2HG      LYS  64  11.408  11.987   5.687
  482    HG3  LYS  64           1HG      LYS  64   9.965  11.004   5.441
  483    HD2  LYS  64           2HD      LYS  64  11.474   9.929   7.011
  484    HD3  LYS  64           1HD      LYS  64  11.342   8.978   5.531
  485    HE2  LYS  64           2HE      LYS  64  13.459   9.892   4.744
  486    HE3  LYS  64           1HE      LYS  64  13.582  10.882   6.198
  487    HZ1  LYS  64           3HZ      LYS  64  14.920   8.917   6.433
  488    HZ2  LYS  64           1HZ      LYS  64  13.600   7.920   6.084
  489    HZ3  LYS  64           2HZ      LYS  64  13.620   8.827   7.507
  490    H    ASN  65           H        ASN  65   9.067  11.884   1.077
  491    HA   ASN  65           HA       ASN  65  10.997  12.686  -0.951
  492    HB2  ASN  65           2HB      ASN  65  11.307  10.249  -0.622
  493    HB3  ASN  65           1HB      ASN  65   9.595  10.000  -0.922
  494   HD21  ASN  65          1HD2      ASN  65   9.629   8.837  -2.660
  495   HD22  ASN  65          2HD2      ASN  65  10.352   9.288  -4.173
  496    HA   PRO  66           HA       PRO  66   6.366  13.513  -1.285
  497    HB2  PRO  66           2HB      PRO  66   6.168  16.084  -0.624
  498    HB3  PRO  66           1HB      PRO  66   6.429  14.854   0.610
  499    HG2  PRO  66           2HG      PRO  66   8.411  16.710  -0.649
  500    HG3  PRO  66           1HG      PRO  66   8.227  16.256   1.055
  501    HD2  PRO  66           2HD      PRO  66  10.054  15.125  -0.682
  502    HD3  PRO  66           1HD      PRO  66   9.456  14.349   0.795
  503    H    LYS  67           H        LYS  67   8.048  13.306  -3.436
  504    HA   LYS  67           HA       LYS  67   7.067  15.468  -5.186
  505    HB2  LYS  67           2HB      LYS  67   9.682  13.959  -5.439
  506    HB3  LYS  67           1HB      LYS  67   9.058  15.089  -6.627
  507    HG2  LYS  67           2HG      LYS  67  10.621  16.345  -5.487
  508    HG3  LYS  67           1HG      LYS  67   9.115  16.798  -4.694
  509    HD2  LYS  67           2HD      LYS  67   9.578  15.352  -2.841
  510    HD3  LYS  67           1HD      LYS  67  10.974  14.660  -3.668
  511    HE2  LYS  67           2HE      LYS  67  11.645  16.281  -1.962
  512    HE3  LYS  67           1HE      LYS  67  12.115  16.801  -3.577
  513    HZ1  LYS  67           3HZ      LYS  67  11.180  18.602  -2.235
  514    HZ2  LYS  67           1HZ      LYS  67   9.713  17.764  -2.124
  515    HZ3  LYS  67           2HZ      LYS  67  10.262  18.308  -3.624
  516    H    ILE  68           H        ILE  68   6.990  12.235  -4.389
  517    HA   ILE  68           HA       ILE  68   6.820  11.278  -7.126
  518    HB   ILE  68           HB       ILE  68   6.697   9.005  -6.079
  519   HG12  ILE  68          2HG1      ILE  68   7.751   9.000  -3.713
  520   HG13  ILE  68          1HG1      ILE  68   7.111  10.629  -3.564
  521   HG21  ILE  68          1HG2      ILE  68   9.101  10.715  -5.506
  522   HG22  ILE  68          2HG2      ILE  68   8.711   9.933  -7.037
  523   HG23  ILE  68          3HG2      ILE  68   9.088   8.957  -5.620
  524   HD11  ILE  68          3HD1      ILE  68   4.868   9.777  -3.911
  525   HD12  ILE  68          1HD1      ILE  68   5.662   8.986  -2.547
  526   HD13  ILE  68          2HD1      ILE  68   5.512   8.143  -4.089
  527    H    ARG  69           H        ARG  69   5.218   9.098  -6.872
  528    HA   ARG  69           HA       ARG  69   2.552  10.215  -6.408
  529    HB2  ARG  69           2HB      ARG  69   3.507   9.289  -9.130
  530    HB3  ARG  69           1HB      ARG  69   1.859   9.755  -8.732
  531    HG2  ARG  69           2HG      ARG  69   2.493  12.023  -8.399
  532    HG3  ARG  69           1HG      ARG  69   4.208  11.617  -8.484
  533    HD2  ARG  69           2HD      ARG  69   3.540  12.614 -10.565
  534    HD3  ARG  69           1HD      ARG  69   3.876  10.906 -10.831
  535    HE   ARG  69           HE       ARG  69   1.123  11.924 -10.494
  536   HH11  ARG  69          1HH1      ARG  69   3.523  10.118 -12.313
  537   HH12  ARG  69          2HH1      ARG  69   2.369   9.480 -13.438
  538   HH21  ARG  69          1HH2      ARG  69  -0.385  11.088 -11.986
  539   HH22  ARG  69          2HH2      ARG  69   0.150  10.035 -13.258
  540    H    GLU  70           H        GLU  70   4.686   7.592  -6.638
  541    HA   GLU  70           HA       GLU  70   2.781   5.831  -5.479
  542    HB2  GLU  70           2HB      GLU  70   1.966   5.335  -7.571
  543    HB3  GLU  70           1HB      GLU  70   3.515   5.603  -8.364
  544    HG2  GLU  70           2HG      GLU  70   4.299   3.490  -7.178
  545    HG3  GLU  70           1HG      GLU  70   2.594   3.189  -6.843
  546    H    VAL  71           H        VAL  71   3.774   3.985  -4.556
  547    HA   VAL  71           HA       VAL  71   6.680   3.764  -4.911
  548    HB   VAL  71           HB       VAL  71   6.906   3.225  -2.481
  549   HG11  VAL  71          1HG1      VAL  71   6.823   5.558  -1.701
  550   HG12  VAL  71          2HG1      VAL  71   5.904   5.990  -3.143
  551   HG13  VAL  71          3HG1      VAL  71   7.561   5.409  -3.295
  552   HG21  VAL  71          3HG2      VAL  71   4.080   4.267  -2.360
  553   HG22  VAL  71          1HG2      VAL  71   5.124   4.031  -0.957
  554   HG23  VAL  71          2HG2      VAL  71   4.640   2.648  -1.936
  555    H    TYR  72           H        TYR  72   7.537   1.651  -4.334
  556    HA   TYR  72           HA       TYR  72   5.527  -0.427  -4.883
  557    HB2  TYR  72           2HB      TYR  72   8.471  -0.442  -5.589
  558    HB3  TYR  72           1HB      TYR  72   7.286  -1.670  -6.026
  559    HD1  TYR  72           2HD      TYR  72   5.373  -1.005  -7.548
  560    HD2  TYR  72           1HD      TYR  72   8.781   1.464  -6.934
  561    HE1  TYR  72           2HE      TYR  72   4.821   0.256  -9.580
  562    HE2  TYR  72           1HE      TYR  72   8.231   2.737  -8.963
  563    HH   TYR  72           HH       TYR  72   5.276   2.672 -10.414
  564    H    LEU  73           H        LEU  73   5.147  -1.761  -3.290
  565    HA   LEU  73           HA       LEU  73   7.235  -2.129  -1.254
  566    HB2  LEU  73           2HB      LEU  73   4.360  -1.451  -1.011
  567    HB3  LEU  73           1HB      LEU  73   5.041  -2.522   0.199
  568    HG   LEU  73           HG       LEU  73   6.133   0.213  -0.460
  569   HD11  LEU  73          1HD1      LEU  73   5.160   0.913   1.665
  570   HD12  LEU  73          2HD1      LEU  73   4.430  -0.680   1.862
  571   HD13  LEU  73          3HD1      LEU  73   3.912   0.370   0.543
  572   HD21  LEU  73          3HD2      LEU  73   6.792  -1.835   1.646
  573   HD22  LEU  73          1HD2      LEU  73   7.327  -0.154   1.714
  574   HD23  LEU  73          2HD2      LEU  73   7.852  -1.195   0.393
  575    H    LYS  74           H        LYS  74   7.548  -4.100  -0.394
  576    HA   LYS  74           HA       LYS  74   5.875  -6.295  -1.413
  577    HB2  LYS  74           2HB      LYS  74   8.669  -5.942  -1.617
  578    HB3  LYS  74           1HB      LYS  74   8.426  -7.185  -0.399
  579    HG2  LYS  74           2HG      LYS  74   6.711  -7.762  -2.588
  580    HG3  LYS  74           1HG      LYS  74   8.322  -7.427  -3.221
  581    HD2  LYS  74           2HD      LYS  74   8.248  -9.754  -2.778
  582    HD3  LYS  74           1HD      LYS  74   9.206  -9.030  -1.485
  583    HE2  LYS  74           2HE      LYS  74   7.104  -8.981  -0.102
  584    HE3  LYS  74           1HE      LYS  74   6.342  -9.945  -1.367
  585    HZ1  LYS  74           3HZ      LYS  74   8.009 -11.657  -1.016
  586    HZ2  LYS  74           1HZ      LYS  74   7.177 -11.331   0.423
  587    HZ3  LYS  74           2HZ      LYS  74   8.738 -10.729   0.192
  588    HA   PRO  75           HA       PRO  75   4.668  -6.496   2.877
  589    HB2  PRO  75           2HB      PRO  75   3.403  -8.917   2.679
  590    HB3  PRO  75           1HB      PRO  75   2.666  -7.378   2.229
  591    HG2  PRO  75           2HG      PRO  75   3.971  -9.437   0.505
  592    HG3  PRO  75           1HG      PRO  75   2.485  -8.517   0.215
  593    HD2  PRO  75           2HD      PRO  75   4.789  -7.832  -0.972
  594    HD3  PRO  75           1HD      PRO  75   3.642  -6.606  -0.403
  595    H    ARG  76           H        ARG  76   4.905  -7.875   4.680
  596    HA   ARG  76           HA       ARG  76   7.558  -8.612   5.055
  597    HB2  ARG  76           2HB      ARG  76   5.166  -9.380   6.719
  598    HB3  ARG  76           1HB      ARG  76   6.838  -9.353   7.261
  599    HG2  ARG  76           2HG      ARG  76   6.923  -7.073   7.384
  600    HG3  ARG  76           1HG      ARG  76   5.685  -6.848   6.151
  601    HD2  ARG  76           2HD      ARG  76   4.887  -6.186   8.365
  602    HD3  ARG  76           1HD      ARG  76   3.966  -7.540   7.719
  603    HE   ARG  76           HE       ARG  76   5.349  -8.972   9.207
  604   HH11  ARG  76          1HH1      ARG  76   5.000  -5.561   9.944
  605   HH12  ARG  76          2HH1      ARG  76   5.171  -5.788  11.654
  606   HH21  ARG  76          1HH2      ARG  76   5.559  -9.268  11.454
  607   HH22  ARG  76          2HH2      ARG  76   5.489  -7.893  12.514
  608    H    ALA  77           H        ALA  77   4.788 -10.553   4.172
  609    HA   ALA  77           HA       ALA  77   5.989 -13.071   4.703
  610    HB1  ALA  77           1HB      ALA  77   4.191 -14.029   3.402
  611    HB2  ALA  77           2HB      ALA  77   3.770 -12.439   2.768
  612    HB3  ALA  77           3HB      ALA  77   3.559 -12.789   4.485
  613    H    VAL  78           H        VAL  78   8.058 -12.847   3.830
  614    HA   VAL  78           HA       VAL  78   8.603 -12.436   1.107
  615    HB   VAL  78           HB       VAL  78  10.292 -12.310   2.920
  616   HG11  VAL  78          1HG1      VAL  78  11.379 -14.394   3.679
  617   HG12  VAL  78          2HG1      VAL  78  10.102 -15.317   2.886
  618   HG13  VAL  78          3HG1      VAL  78   9.711 -14.242   4.229
  619   HG21  VAL  78          3HG2      VAL  78  12.125 -13.330   1.648
  620   HG22  VAL  78          1HG2      VAL  78  11.008 -12.432   0.621
  621   HG23  VAL  78          2HG2      VAL  78  10.941 -14.191   0.666
  622    H    LYS  79           H        LYS  79   7.479 -15.216   2.864
  623    HA   LYS  79           HA       LYS  79   8.307 -17.238   1.097
  624    HB2  LYS  79           2HB      LYS  79   6.718 -18.674   2.211
  625    HB3  LYS  79           1HB      LYS  79   7.525 -17.662   3.396
  626    HG2  LYS  79           2HG      LYS  79   5.581 -16.224   3.538
  627    HG3  LYS  79           1HG      LYS  79   4.776 -17.156   2.276
  628    HD2  LYS  79           2HD      LYS  79   3.944 -17.825   4.452
  629    HD3  LYS  79           1HD      LYS  79   4.855 -19.146   3.726
  630    HE2  LYS  79           2HE      LYS  79   6.797 -18.567   5.084
  631    HE3  LYS  79           1HE      LYS  79   5.908 -17.222   5.795
  632    HZ1  LYS  79           3HZ      LYS  79   4.344 -18.802   6.739
  633    HZ2  LYS  79           1HZ      LYS  79   5.920 -19.150   7.245
  634    HZ3  LYS  79           2HZ      LYS  79   5.191 -20.093   6.048
  635    H    ASN  80           H        ASN  80   5.692 -14.971   0.875
  636    HA   ASN  80           HA       ASN  80   4.011 -16.423  -0.866
  637    HB2  ASN  80           2HB      ASN  80   4.374 -13.463  -0.448
  638    HB3  ASN  80           1HB      ASN  80   3.207 -14.121  -1.589
  639   HD21  ASN  80          1HD2      ASN  80   2.636 -12.511   0.666
  640   HD22  ASN  80          2HD2      ASN  80   1.655 -13.455   1.727
  641    H    SER  81           H        SER  81   6.863 -14.512  -1.354
  642    HA   SER  81           HA       SER  81   8.292 -14.262  -3.073
  643    HB2  SER  81           2HB      SER  81   6.744 -16.498  -4.392
  644    HB3  SER  81           1HB      SER  81   8.370 -15.958  -4.810
  645    HG   SER  81           HG       SER  81   7.554 -17.070  -2.323
  646    H    SER  82           H        SER  82   5.310 -15.102  -4.861
  647    HA   SER  82           HA       SER  82   5.958 -12.872  -6.633
  648    HB2  SER  82           2HB      SER  82   4.061 -15.176  -7.111
  649    HB3  SER  82           1HB      SER  82   4.641 -14.017  -8.304
  650    HG   SER  82           HG       SER  82   5.851 -16.260  -7.317
  651    H    VAL  83           H        VAL  83   4.901 -11.876  -4.409
  652    HA   VAL  83           HA       VAL  83   2.362 -10.854  -5.460
  653    HB   VAL  83           HB       VAL  83   1.802 -12.346  -3.563
  654   HG11  VAL  83          1HG1      VAL  83   2.437 -11.767  -1.280
  655   HG12  VAL  83          2HG1      VAL  83   3.431 -10.440  -1.887
  656   HG13  VAL  83          3HG1      VAL  83   3.861 -12.108  -2.266
  657   HG21  VAL  83          3HG2      VAL  83   1.360  -9.412  -3.023
  658   HG22  VAL  83          1HG2      VAL  83   0.444 -10.731  -2.297
  659   HG23  VAL  83          2HG2      VAL  83   0.360 -10.454  -4.037
  660    H    GLN  84           H        GLN  84   2.291  -8.684  -5.561
  661    HA   GLN  84           HA       GLN  84   4.349  -7.183  -4.097
  662    HB2  GLN  84           2HB      GLN  84   3.714  -6.943  -7.040
  663    HB3  GLN  84           1HB      GLN  84   4.715  -5.806  -6.145
  664    HG2  GLN  84           2HG      GLN  84   6.329  -7.526  -5.673
  665    HG3  GLN  84           1HG      GLN  84   5.300  -8.741  -6.427
  666   HE21  GLN  84          1HE2      GLN  84   6.857  -9.314  -7.896
  667   HE22  GLN  84          2HE2      GLN  84   7.289  -8.307  -9.234
  668    H    PHE  85           H        PHE  85   3.743  -5.245  -3.327
  669    HA   PHE  85           HA       PHE  85   0.941  -4.514  -3.758
  670    HB2  PHE  85           2HB      PHE  85   2.851  -4.021  -1.487
  671    HB3  PHE  85           1HB      PHE  85   1.408  -3.033  -1.686
  672    HD1  PHE  85           1HD      PHE  85   1.872  -6.696  -2.214
  673    HD2  PHE  85           2HD      PHE  85   0.020  -3.615   0.059
  674    HE1  PHE  85           1HE      PHE  85   0.545  -8.385  -1.018
  675    HE2  PHE  85           2HE      PHE  85  -1.310  -5.297   1.261
  676    HZ   PHE  85           HZ       PHE  85  -1.049  -7.685   0.724
  677    H    HIS  86           H        HIS  86   0.469  -2.808  -4.907
  678    HA   HIS  86           HA       HIS  86   2.616  -0.894  -5.514
  679    HB2  HIS  86           2HB      HIS  86   0.034  -1.490  -6.982
  680    HB3  HIS  86           1HB      HIS  86   1.135  -0.185  -7.414
  681    HD1  HIS  86           1HD      HIS  86   2.517  -0.822  -9.365
  682    HD2  HIS  86           2HD      HIS  86   1.696  -4.078  -6.916
  683    HE1  HIS  86           1HE      HIS  86   3.667  -2.785 -10.437
  684    HE2  HIS  86           2HE      HIS  86   2.933  -4.778  -9.069
  685    H    VAL  87           H        VAL  87   2.550   0.656  -4.009
  686    HA   VAL  87           HA       VAL  87  -0.048   1.618  -3.096
  687    HB   VAL  87           HB       VAL  87   2.743   2.347  -2.192
  688   HG11  VAL  87          1HG1      VAL  87   0.066   3.153  -1.066
  689   HG12  VAL  87          2HG1      VAL  87   1.217   4.211  -1.884
  690   HG13  VAL  87          3HG1      VAL  87   1.632   3.491  -0.329
  691   HG21  VAL  87          3HG2      VAL  87   2.137   1.114  -0.147
  692   HG22  VAL  87          1HG2      VAL  87   2.157   0.080  -1.575
  693   HG23  VAL  87          2HG2      VAL  87   0.620   0.635  -0.907
  694    H    ILE  88           H        ILE  88  -0.966   3.082  -4.272
  695    HA   ILE  88           HA       ILE  88   0.715   4.865  -5.887
  696    HB   ILE  88           HB       ILE  88  -2.106   3.893  -6.357
  697   HG12  ILE  88          2HG1      ILE  88   0.441   3.380  -7.906
  698   HG13  ILE  88          1HG1      ILE  88  -0.250   2.259  -6.734
  699   HG21  ILE  88          1HG2      ILE  88  -1.966   5.056  -8.506
  700   HG22  ILE  88          2HG2      ILE  88  -0.396   5.713  -8.046
  701   HG23  ILE  88          3HG2      ILE  88  -1.842   6.178  -7.150
  702   HD11  ILE  88          3HD1      ILE  88  -1.547   3.172  -9.289
  703   HD12  ILE  88          1HD1      ILE  88  -2.267   2.081  -8.105
  704   HD13  ILE  88          2HD1      ILE  88  -0.818   1.594  -8.983
  705    H    PHE  89           H        PHE  89   0.377   7.003  -5.846
  706    HA   PHE  89           HA       PHE  89  -1.314   7.957  -3.666
  707    HB2  PHE  89           2HB      PHE  89   1.109   9.123  -5.028
  708    HB3  PHE  89           1HB      PHE  89   0.126  10.008  -3.870
  709    HD1  PHE  89           2HD      PHE  89  -0.181   9.097  -1.585
  710    HD2  PHE  89           1HD      PHE  89   2.712   7.554  -4.288
  711    HE1  PHE  89           2HE      PHE  89   0.970   7.992   0.281
  712    HE2  PHE  89           1HE      PHE  89   3.859   6.438  -2.426
  713    HZ   PHE  89           HZ       PHE  89   2.970   6.661  -0.150
  714    H    ASP  90           H        ASP  90  -3.252   8.584  -4.378
  715    HA   ASP  90           HA       ASP  90  -3.684   9.447  -7.079
  716    HB2  ASP  90           2HB      ASP  90  -5.429   9.084  -4.673
  717    HB3  ASP  90           1HB      ASP  90  -6.017  10.064  -6.009
  718    H    GLU  91           H        GLU  91  -3.294  11.402  -7.788
  719    HA   GLU  91           HA       GLU  91  -2.713  13.506  -5.905
  720    HB2  GLU  91           2HB      GLU  91  -2.661  13.534  -8.929
  721    HB3  GLU  91           1HB      GLU  91  -2.001  14.777  -7.873
  722    HG2  GLU  91           2HG      GLU  91  -0.438  13.117  -6.943
  723    HG3  GLU  91           1HG      GLU  91  -1.059  11.928  -8.085
  724    H    GLU  92           H        GLU  92  -4.201  14.746  -5.133
  725    HA   GLU  92           HA       GLU  92  -6.662  15.201  -6.674
  726    HB2  GLU  92           2HB      GLU  92  -6.228  15.432  -3.694
  727    HB3  GLU  92           1HB      GLU  92  -7.764  15.566  -4.536
  728    HG2  GLU  92           2HG      GLU  92  -7.632  13.224  -5.171
  729    HG3  GLU  92           1HG      GLU  92  -6.061  13.088  -4.381
  Start of MODEL   13
    1    H1   GLY   1           1HT      GLY   1   5.015 -10.708 -17.933
    2    H2   GLY   1           2HT      GLY   1   4.389  -9.551 -18.991
    3    H3   GLY   1           3HT      GLY   1   3.522 -10.966 -18.676
    4    HA2  GLY   1           1HA      GLY   1   4.135  -8.853 -16.693
    5    HA3  GLY   1           2HA      GLY   1   2.581  -9.085 -17.483
    6    H    SER   2           H        SER   2   2.192  -9.144 -14.985
    7    HA   SER   2           HA       SER   2   2.725 -11.754 -13.822
    8    HB2  SER   2           2HB      SER   2   1.230  -9.400 -12.642
    9    HB3  SER   2           1HB      SER   2   1.853 -10.801 -11.769
   10    HG   SER   2           HG       SER   2   3.969 -10.033 -12.803
   11    H    ALA   3           H        ALA   3   0.887 -11.458 -16.131
   12    HA   ALA   3           HA       ALA   3  -1.504 -12.634 -14.873
   13    HB1  ALA   3           1HB      ALA   3  -2.871 -11.688 -16.652
   14    HB2  ALA   3           2HB      ALA   3  -1.444 -10.938 -17.366
   15    HB3  ALA   3           3HB      ALA   3  -2.016 -10.416 -15.782
   16    H    MET   4           H        MET   4   1.150 -13.403 -16.499
   17    HA   MET   4           HA       MET   4   0.059 -15.041 -18.580
   18    HB2  MET   4           2HB      MET   4   2.388 -15.951 -18.739
   19    HB3  MET   4           1HB      MET   4   2.265 -14.214 -18.935
   20    HG2  MET   4           2HG      MET   4   4.116 -14.421 -17.597
   21    HG3  MET   4           1HG      MET   4   2.845 -14.130 -16.416
   22    HE1  MET   4           3HE      MET   4   4.690 -18.271 -17.272
   23    HE2  MET   4           1HE      MET   4   5.167 -16.787 -18.095
   24    HE3  MET   4           2HE      MET   4   3.573 -17.486 -18.386
   25    H    GLY   5           H        GLY   5  -0.176 -17.278 -18.609
   26    HA2  GLY   5           2HA      GLY   5  -0.732 -19.325 -17.688
   27    HA3  GLY   5           1HA      GLY   5   0.122 -18.850 -16.222
   28    H    HIS   6           H        HIS   6  -0.964 -17.641 -14.643
   29    HA   HIS   6           HA       HIS   6  -3.795 -17.053 -15.092
   30    HB2  HIS   6           2HB      HIS   6  -2.693 -18.590 -12.731
   31    HB3  HIS   6           1HB      HIS   6  -4.244 -17.763 -12.683
   32    HD1  HIS   6           1HD      HIS   6  -3.067 -21.010 -13.033
   33    HD2  HIS   6           2HD      HIS   6  -5.784 -18.748 -15.223
   34    HE1  HIS   6           1HE      HIS   6  -4.491 -22.671 -14.268
   35    HE2  HIS   6           2HE      HIS   6  -6.189 -21.288 -15.510
   36    H    MET   7           H        MET   7  -1.447 -16.897 -12.440
   37    HA   MET   7           HA       MET   7  -0.784 -14.206 -12.732
   38    HB2  MET   7           2HB      MET   7  -1.923 -13.275 -10.696
   39    HB3  MET   7           1HB      MET   7  -2.994 -13.591 -12.050
   40    HG2  MET   7           2HG      MET   7  -3.730 -15.663 -10.979
   41    HG3  MET   7           1HG      MET   7  -2.659 -15.331  -9.617
   42    HE1  MET   7           3HE      MET   7  -2.976 -13.338  -7.928
   43    HE2  MET   7           1HE      MET   7  -4.251 -12.124  -8.057
   44    HE3  MET   7           2HE      MET   7  -2.961 -12.181  -9.258
   45    HA   PRO   8           HA       PRO   8   1.929 -16.981 -10.219
   46    HB2  PRO   8           2HB      PRO   8   3.969 -15.245 -11.479
   47    HB3  PRO   8           1HB      PRO   8   3.891 -17.008 -11.397
   48    HG2  PRO   8           2HG      PRO   8   3.401 -15.702 -13.678
   49    HG3  PRO   8           1HG      PRO   8   2.503 -17.165 -13.239
   50    HD2  PRO   8           2HD      PRO   8   1.658 -14.302 -13.085
   51    HD3  PRO   8           1HD      PRO   8   0.717 -15.732 -13.556
   52    H    ALA   9           H        ALA   9   2.656 -13.557 -10.838
   53    HA   ALA   9           HA       ALA   9   3.251 -13.185  -8.007
   54    HB1  ALA   9           1HB      ALA   9   3.561 -11.269 -10.320
   55    HB2  ALA   9           2HB      ALA   9   4.842 -12.262  -9.627
   56    HB3  ALA   9           3HB      ALA   9   4.097 -10.989  -8.663
   57    H    VAL  10           H        VAL  10   1.894 -12.187  -6.653
   58    HA   VAL  10           HA       VAL  10  -0.693 -11.368  -7.709
   59    HB   VAL  10           HB       VAL  10   0.236 -11.506  -4.834
   60   HG11  VAL  10          1HG1      VAL  10  -2.537 -11.294  -6.003
   61   HG12  VAL  10          2HG1      VAL  10  -1.668 -10.017  -5.152
   62   HG13  VAL  10          3HG1      VAL  10  -2.153 -11.477  -4.292
   63   HG21  VAL  10          3HG2      VAL  10   0.327 -13.702  -5.870
   64   HG22  VAL  10          1HG2      VAL  10  -1.328 -13.514  -6.449
   65   HG23  VAL  10          2HG2      VAL  10  -1.007 -13.615  -4.719
   66    H    ASP  11           H        ASP  11  -1.057  -9.348  -8.236
   67    HA   ASP  11           HA       ASP  11   0.686  -7.255  -7.143
   68    HB2  ASP  11           2HB      ASP  11   0.680  -7.566  -9.606
   69    HB3  ASP  11           1HB      ASP  11  -1.045  -7.225  -9.629
   70    H    VAL  12           H        VAL  12  -0.152  -6.026  -5.630
   71    HA   VAL  12           HA       VAL  12  -3.079  -5.792  -5.434
   72    HB   VAL  12           HB       VAL  12  -0.952  -5.401  -3.318
   73   HG11  VAL  12          1HG1      VAL  12  -2.818  -3.864  -2.978
   74   HG12  VAL  12          2HG1      VAL  12  -2.797  -5.121  -1.741
   75   HG13  VAL  12          3HG1      VAL  12  -3.949  -5.212  -3.072
   76   HG21  VAL  12          3HG2      VAL  12  -1.326  -7.739  -3.887
   77   HG22  VAL  12          1HG2      VAL  12  -3.060  -7.535  -3.639
   78   HG23  VAL  12          2HG2      VAL  12  -1.949  -7.379  -2.277
   79    H    GLU  13           H        GLU  13  -3.950  -3.881  -5.977
   80    HA   GLU  13           HA       GLU  13  -2.159  -1.588  -6.214
   81    HB2  GLU  13           2HB      GLU  13  -4.022  -0.564  -7.532
   82    HB3  GLU  13           1HB      GLU  13  -3.365  -2.029  -8.248
   83    HG2  GLU  13           2HG      GLU  13  -5.263  -3.243  -7.851
   84    HG3  GLU  13           1HG      GLU  13  -5.732  -2.255  -6.469
   85    H    ILE  14           H        ILE  14  -2.124  -0.250  -4.553
   86    HA   ILE  14           HA       ILE  14  -4.685   0.283  -3.208
   87    HB   ILE  14           HB       ILE  14  -1.928   0.856  -2.087
   88   HG12  ILE  14          2HG1      ILE  14  -3.859  -1.399  -1.454
   89   HG13  ILE  14          1HG1      ILE  14  -2.264  -1.562  -2.177
   90   HG21  ILE  14          1HG2      ILE  14  -3.646   2.364  -1.267
   91   HG22  ILE  14          2HG2      ILE  14  -3.146   1.260   0.015
   92   HG23  ILE  14          3HG2      ILE  14  -4.671   0.997  -0.831
   93   HD11  ILE  14          3HD1      ILE  14  -2.853  -0.625   0.629
   94   HD12  ILE  14          1HD1      ILE  14  -1.246  -0.765  -0.092
   95   HD13  ILE  14          2HD1      ILE  14  -2.229  -2.206   0.161
   96    H    HIS  15           H        HIS  15  -5.325   2.453  -3.038
   97    HA   HIS  15           HA       HIS  15  -3.609   4.379  -4.449
   98    HB2  HIS  15           2HB      HIS  15  -6.608   4.068  -4.648
   99    HB3  HIS  15           1HB      HIS  15  -5.741   5.487  -5.224
  100    HD1  HIS  15           1HD      HIS  15  -6.665   2.048  -6.157
  101    HD2  HIS  15           2HD      HIS  15  -4.002   4.960  -7.458
  102    HE1  HIS  15           1HE      HIS  15  -5.903   1.294  -8.425
  103    HE2  HIS  15           2HE      HIS  15  -4.483   3.190  -9.285
  104    H    PHE  16           H        PHE  16  -3.083   6.082  -3.283
  105    HA   PHE  16           HA       PHE  16  -4.823   6.802  -1.022
  106    HB2  PHE  16           2HB      PHE  16  -1.811   6.799  -1.167
  107    HB3  PHE  16           1HB      PHE  16  -2.699   7.696   0.051
  108    HD1  PHE  16           2HD      PHE  16  -4.882   5.461   0.350
  109    HD2  PHE  16           1HD      PHE  16  -0.628   5.483   0.418
  110    HE1  PHE  16           2HE      PHE  16  -4.896   3.484   1.810
  111    HE2  PHE  16           1HE      PHE  16  -0.637   3.510   1.881
  112    HZ   PHE  16           HZ       PHE  16  -2.770   2.512   2.580
  113    HA   PRO  17           HA       PRO  17  -4.987  10.877  -2.939
  114    HB2  PRO  17           2HB      PRO  17  -5.858  12.106  -0.621
  115    HB3  PRO  17           1HB      PRO  17  -6.918  11.327  -1.799
  116    HG2  PRO  17           2HG      PRO  17  -5.828  10.243   0.768
  117    HG3  PRO  17           1HG      PRO  17  -7.460  10.092   0.098
  118    HD2  PRO  17           2HD      PRO  17  -5.712   8.090  -0.048
  119    HD3  PRO  17           1HD      PRO  17  -6.808   8.439  -1.403
  120    H    LEU  18           H        LEU  18  -3.246  12.059  -3.199
  121    HA   LEU  18           HA       LEU  18  -0.870  11.748  -1.857
  122    HB2  LEU  18           2HB      LEU  18  -1.146  12.686  -4.112
  123    HB3  LEU  18           1HB      LEU  18  -1.784  14.161  -3.418
  124    HG   LEU  18           HG       LEU  18   0.430  14.481  -2.267
  125   HD11  LEU  18          1HD1      LEU  18   1.254  12.230  -4.095
  126   HD12  LEU  18          2HD1      LEU  18   1.190  12.169  -2.334
  127   HD13  LEU  18          3HD1      LEU  18   2.343  13.236  -3.138
  128   HD21  LEU  18          3HD2      LEU  18  -0.162  15.676  -4.317
  129   HD22  LEU  18          1HD2      LEU  18   0.470  14.341  -5.281
  130   HD23  LEU  18          2HD2      LEU  18   1.558  15.293  -4.270
  131    H    LYS  19           H        LYS  19  -3.375  14.148  -1.218
  132    HA   LYS  19           HA       LYS  19  -1.764  15.654   0.610
  133    HB2  LYS  19           2HB      LYS  19  -4.718  15.661   0.029
  134    HB3  LYS  19           1HB      LYS  19  -3.991  16.697   1.247
  135    HG2  LYS  19           2HG      LYS  19  -2.531  17.646  -0.527
  136    HG3  LYS  19           1HG      LYS  19  -3.450  16.713  -1.710
  137    HD2  LYS  19           2HD      LYS  19  -4.654  18.722   0.184
  138    HD3  LYS  19           1HD      LYS  19  -4.209  19.078  -1.486
  139    HE2  LYS  19           2HE      LYS  19  -5.778  17.326  -2.218
  140    HE3  LYS  19           1HE      LYS  19  -6.214  17.062  -0.534
  141    HZ1  LYS  19           3HZ      LYS  19  -7.829  18.475  -1.582
  142    HZ2  LYS  19           1HZ      LYS  19  -6.626  19.561  -2.070
  143    HZ3  LYS  19           2HZ      LYS  19  -6.974  19.369  -0.429
  144    H    ARG  20           H        ARG  20  -4.095  13.045   0.940
  145    HA   ARG  20           HA       ARG  20  -4.420  13.510   3.768
  146    HB2  ARG  20           2HB      ARG  20  -5.630  11.691   1.763
  147    HB3  ARG  20           1HB      ARG  20  -5.734  11.232   3.458
  148    HG2  ARG  20           2HG      ARG  20  -6.909  13.214   4.001
  149    HG3  ARG  20           1HG      ARG  20  -6.604  13.910   2.407
  150    HD2  ARG  20           2HD      ARG  20  -8.179  12.579   1.381
  151    HD3  ARG  20           1HD      ARG  20  -8.067  11.318   2.610
  152    HE   ARG  20           HE       ARG  20  -9.184  13.039   4.110
  153   HH11  ARG  20          1HH1      ARG  20  -9.753  12.880   0.647
  154   HH12  ARG  20          2HH1      ARG  20 -11.355  13.534   0.760
  155   HH21  ARG  20          1HH2      ARG  20 -11.284  13.892   4.246
  156   HH22  ARG  20          2HH2      ARG  20 -12.222  14.119   2.806
  157    H    ILE  21           H        ILE  21  -2.581  11.297   1.746
  158    HA   ILE  21           HA       ILE  21  -1.858   9.598   3.926
  159    HB   ILE  21           HB       ILE  21  -1.696   8.846   1.582
  160   HG12  ILE  21          2HG1      ILE  21   0.394   7.624   1.800
  161   HG13  ILE  21          1HG1      ILE  21   0.994   8.793   2.971
  162   HG21  ILE  21          1HG2      ILE  21   0.251   9.553   0.219
  163   HG22  ILE  21          2HG2      ILE  21   0.603  10.790   1.426
  164   HG23  ILE  21          3HG2      ILE  21  -0.905  10.851   0.513
  165   HD11  ILE  21          3HD1      ILE  21  -0.677   8.083   4.565
  166   HD12  ILE  21          1HD1      ILE  21   0.258   6.700   4.002
  167   HD13  ILE  21          2HD1      ILE  21  -1.370   6.975   3.380
  168    H    ALA  22           H        ALA  22  -0.976  12.706   2.933
  169    HA   ALA  22           HA       ALA  22   1.488  12.719   4.509
  170    HB1  ALA  22           1HB      ALA  22   1.820  14.965   3.607
  171    HB2  ALA  22           2HB      ALA  22   0.251  14.884   2.805
  172    HB3  ALA  22           3HB      ALA  22   1.554  13.800   2.312
  173    H    ALA  23           H        ALA  23  -1.295  12.452   5.565
  174    HA   ALA  23           HA       ALA  23  -1.336  14.829   7.309
  175    HB1  ALA  23           1HB      ALA  23  -3.330  14.676   5.920
  176    HB2  ALA  23           2HB      ALA  23  -3.738  14.392   7.610
  177    HB3  ALA  23           3HB      ALA  23  -3.623  13.036   6.492
  178    H    GLU  24           H        GLU  24  -1.508  14.510   9.527
  179    HA   GLU  24           HA       GLU  24  -0.783  11.844  10.424
  180    HB2  GLU  24           2HB      GLU  24  -0.521  12.982  12.673
  181    HB3  GLU  24           1HB      GLU  24   0.572  13.505  11.403
  182    HG2  GLU  24           2HG      GLU  24  -0.126  15.423  12.607
  183    HG3  GLU  24           1HG      GLU  24  -0.907  15.470  11.030
  184    H    GLY  25           H        GLY  25  -3.563  13.679  10.052
  185    HA2  GLY  25           2HA      GLY  25  -5.044  12.118  12.053
  186    HA3  GLY  25           1HA      GLY  25  -5.663  13.510  11.169
  187    H    TYR  26           H        TYR  26  -3.896  10.866   9.768
  188    HA   TYR  26           HA       TYR  26  -5.651  10.607   7.602
  189    HB2  TYR  26           2HB      TYR  26  -4.269   8.658   6.997
  190    HB3  TYR  26           1HB      TYR  26  -3.293  10.052   7.431
  191    HD1  TYR  26           1HD      TYR  26  -4.341   6.680   8.447
  192    HD2  TYR  26           2HD      TYR  26  -1.919  10.040   9.419
  193    HE1  TYR  26           1HE      TYR  26  -3.116   5.317  10.087
  194    HE2  TYR  26           2HE      TYR  26  -0.690   8.687  11.059
  195    HH   TYR  26           HH       TYR  26  -1.016   6.675  12.400
  196    H    ALA  27           H        ALA  27  -5.688   9.145  10.724
  197    HA   ALA  27           HA       ALA  27  -7.165   6.810  10.103
  198    HB1  ALA  27           1HB      ALA  27  -7.048   8.343  12.697
  199    HB2  ALA  27           2HB      ALA  27  -5.936   7.066  12.201
  200    HB3  ALA  27           3HB      ALA  27  -7.635   6.693  12.493
  201    H    GLU  28           H        GLU  28  -8.024  10.102  10.239
  202    HA   GLU  28           HA       GLU  28 -10.870   9.501  10.535
  203    HB2  GLU  28           2HB      GLU  28  -9.268  12.041  10.600
  204    HB3  GLU  28           1HB      GLU  28 -11.015  12.074  10.402
  205    HG2  GLU  28           2HG      GLU  28  -9.581  10.767  12.702
  206    HG3  GLU  28           1HG      GLU  28 -10.275  12.388  12.737
  207    H    ASP  29           H        ASP  29  -8.578   9.787   8.114
  208    HA   ASP  29           HA       ASP  29 -10.281  11.068   6.187
  209    HB2  ASP  29           2HB      ASP  29  -7.543   9.819   6.015
  210    HB3  ASP  29           1HB      ASP  29  -8.405  10.409   4.596
  211    H    GLU  30           H        GLU  30 -11.962  10.054   5.535
  212    HA   GLU  30           HA       GLU  30 -12.544   7.370   5.892
  213    HB2  GLU  30           2HB      GLU  30 -14.176   9.185   5.640
  214    HB3  GLU  30           1HB      GLU  30 -13.731   9.343   3.949
  215    HG2  GLU  30           2HG      GLU  30 -14.561   7.086   3.526
  216    HG3  GLU  30           1HG      GLU  30 -15.028   6.949   5.223
  217    H    LEU  31           H        LEU  31 -11.287   9.043   3.051
  218    HA   LEU  31           HA       LEU  31 -11.713   6.994   1.207
  219    HB2  LEU  31           2HB      LEU  31 -11.103   9.424   0.755
  220    HB3  LEU  31           1HB      LEU  31  -9.445   8.969   1.107
  221    HG   LEU  31           HG       LEU  31  -9.449   7.406  -0.762
  222   HD11  LEU  31          1HD1      LEU  31 -11.374   7.429  -2.342
  223   HD12  LEU  31          2HD1      LEU  31 -12.294   8.309  -1.122
  224   HD13  LEU  31          3HD1      LEU  31 -11.720   6.676  -0.787
  225   HD21  LEU  31          3HD2      LEU  31  -9.633   9.021  -2.599
  226   HD22  LEU  31          1HD2      LEU  31  -8.772   9.687  -1.214
  227   HD23  LEU  31          2HD2      LEU  31 -10.447  10.147  -1.512
  228    H    LEU  32           H        LEU  32  -9.064   7.682   3.408
  229    HA   LEU  32           HA       LEU  32  -7.277   5.751   2.382
  230    HB2  LEU  32           2HB      LEU  32  -7.197   7.809   4.214
  231    HB3  LEU  32           1HB      LEU  32  -7.025   6.381   5.217
  232    HG   LEU  32           HG       LEU  32  -5.189   5.683   3.613
  233   HD11  LEU  32          1HD1      LEU  32  -5.387   8.584   2.850
  234   HD12  LEU  32          2HD1      LEU  32  -5.720   7.204   1.803
  235   HD13  LEU  32          3HD1      LEU  32  -4.082   7.489   2.392
  236   HD21  LEU  32          3HD2      LEU  32  -4.752   8.161   5.258
  237   HD22  LEU  32          1HD2      LEU  32  -3.516   7.005   4.766
  238   HD23  LEU  32          2HD2      LEU  32  -4.786   6.514   5.888
  239    H    LEU  33           H        LEU  33  -9.610   5.803   5.030
  240    HA   LEU  33           HA       LEU  33  -8.967   3.273   6.075
  241    HB2  LEU  33           2HB      LEU  33 -11.007   5.308   6.473
  242    HB3  LEU  33           1HB      LEU  33 -11.543   3.682   6.826
  243    HG   LEU  33           HG       LEU  33 -10.722   4.811   8.828
  244   HD11  LEU  33          1HD1      LEU  33  -9.184   3.106   9.608
  245   HD12  LEU  33          2HD1      LEU  33  -8.882   2.598   7.948
  246   HD13  LEU  33          3HD1      LEU  33 -10.482   2.385   8.658
  247   HD21  LEU  33          3HD2      LEU  33  -9.126   6.326   7.811
  248   HD22  LEU  33          1HD2      LEU  33  -8.095   4.968   7.364
  249   HD23  LEU  33          2HD2      LEU  33  -8.346   5.361   9.063
  250    H    ASN  34           H        ASN  34 -11.583   4.318   3.870
  251    HA   ASN  34           HA       ASN  34 -12.698   1.699   3.778
  252    HB2  ASN  34           2HB      ASN  34 -14.333   2.516   2.374
  253    HB3  ASN  34           1HB      ASN  34 -13.835   3.990   3.191
  254   HD21  ASN  34          1HD2      ASN  34 -12.838   5.587   2.047
  255   HD22  ASN  34          2HD2      ASN  34 -12.713   5.572   0.320
  256    H    GLN  35           H        GLN  35 -10.292   3.391   1.859
  257    HA   GLN  35           HA       GLN  35 -10.205   1.535  -0.271
  258    HB2  GLN  35           2HB      GLN  35  -8.828   3.876   0.470
  259    HB3  GLN  35           1HB      GLN  35  -7.601   2.636   0.274
  260    HG2  GLN  35           2HG      GLN  35  -7.755   2.722  -1.928
  261    HG3  GLN  35           1HG      GLN  35  -9.501   2.516  -1.874
  262   HE21  GLN  35          1HE2      GLN  35  -7.853   5.254  -0.385
  263   HE22  GLN  35          2HE2      GLN  35  -8.412   6.425  -1.516
  264    H    MET  36           H        MET  36  -8.425   1.753   2.782
  265    HA   MET  36           HA       MET  36  -7.151  -0.802   2.324
  266    HB2  MET  36           2HB      MET  36  -7.133   1.062   4.695
  267    HB3  MET  36           1HB      MET  36  -6.304  -0.490   4.679
  268    HG2  MET  36           2HG      MET  36  -5.744   1.937   3.012
  269    HG3  MET  36           1HG      MET  36  -4.680   1.123   4.157
  270    HE1  MET  36           3HE      MET  36  -3.446  -1.355   3.537
  271    HE2  MET  36           1HE      MET  36  -4.076  -2.292   2.180
  272    HE3  MET  36           2HE      MET  36  -5.137  -1.864   3.526
  273    H    GLY  37           H        GLY  37 -10.198   0.076   3.188
  274    HA2  GLY  37           2HA      GLY  37 -10.657  -2.391   4.685
  275    HA3  GLY  37           1HA      GLY  37 -11.877  -1.206   4.220
  276    H    LYS  38           H        LYS  38 -10.905  -1.072   1.487
  277    HA   LYS  38           HA       LYS  38 -12.470  -3.101   0.293
  278    HB2  LYS  38           2HB      LYS  38 -10.439  -1.200  -0.873
  279    HB3  LYS  38           1HB      LYS  38 -11.496  -2.224  -1.840
  280    HG2  LYS  38           2HG      LYS  38 -13.442  -1.084  -1.041
  281    HG3  LYS  38           1HG      LYS  38 -12.483  -0.162   0.116
  282    HD2  LYS  38           2HD      LYS  38 -12.935   1.281  -1.714
  283    HD3  LYS  38           1HD      LYS  38 -11.243   0.809  -1.842
  284    HE2  LYS  38           2HE      LYS  38 -11.846  -0.878  -3.513
  285    HE3  LYS  38           1HE      LYS  38 -13.535  -0.390  -3.389
  286    HZ1  LYS  38           3HZ      LYS  38 -12.546   0.663  -5.280
  287    HZ2  LYS  38           1HZ      LYS  38 -11.277   1.277  -4.349
  288    HZ3  LYS  38           2HZ      LYS  38 -12.850   1.850  -4.116
  289    H    VAL  39           H        VAL  39  -8.982  -2.472  -0.223
  290    HA   VAL  39           HA       VAL  39  -8.745  -5.329  -0.885
  291    HB   VAL  39           HB       VAL  39  -8.057  -3.836  -2.664
  292   HG11  VAL  39          1HG1      VAL  39  -7.350  -1.892  -1.420
  293   HG12  VAL  39          2HG1      VAL  39  -6.037  -2.442  -2.462
  294   HG13  VAL  39          3HG1      VAL  39  -5.994  -2.792  -0.731
  295   HG21  VAL  39          3HG2      VAL  39  -6.971  -6.001  -2.460
  296   HG22  VAL  39          1HG2      VAL  39  -5.728  -5.291  -1.430
  297   HG23  VAL  39          2HG2      VAL  39  -5.863  -4.799  -3.118
  298    H    ASN  40           H        ASN  40  -8.639  -6.100   1.195
  299    HA   ASN  40           HA       ASN  40  -6.165  -6.004   2.560
  300    HB2  ASN  40           2HB      ASN  40  -6.958  -3.722   2.950
  301    HB3  ASN  40           1HB      ASN  40  -8.417  -4.359   3.708
  302   HD21  ASN  40          1HD2      ASN  40  -4.954  -4.191   3.935
  303   HD22  ASN  40          2HD2      ASN  40  -4.855  -4.422   5.644
  304    H    ASP  41           H        ASP  41  -9.557  -6.760   2.461
  305    HA   ASP  41           HA       ASP  41  -9.578  -8.251   4.911
  306    HB2  ASP  41           2HB      ASP  41 -11.825  -8.890   4.327
  307    HB3  ASP  41           1HB      ASP  41 -11.616  -7.194   3.911
  308    H    THR  42           H        THR  42  -9.162  -9.034   1.500
  309    HA   THR  42           HA       THR  42  -8.197 -11.682   2.297
  310    HB   THR  42           HB       THR  42  -9.210 -12.417  -0.031
  311    HG1  THR  42           1HG      THR  42 -11.107 -10.445   0.806
  312   HG21  THR  42          3HG2      THR  42 -10.882 -12.127   2.468
  313   HG22  THR  42          1HG2      THR  42  -9.764 -13.445   2.113
  314   HG23  THR  42          2HG2      THR  42 -11.214 -13.229   1.131
  315    HA   PRO  43           HA       PRO  43  -5.279  -9.606  -0.635
  316    HB2  PRO  43           2HB      PRO  43  -3.471  -8.673   1.034
  317    HB3  PRO  43           1HB      PRO  43  -5.061  -7.900   0.949
  318    HG2  PRO  43           2HG      PRO  43  -3.965  -9.759   3.010
  319    HG3  PRO  43           1HG      PRO  43  -5.040  -8.365   3.211
  320    HD2  PRO  43           2HD      PRO  43  -5.788 -11.090   3.038
  321    HD3  PRO  43           1HD      PRO  43  -6.865  -9.680   3.018
  322    H    GLU  44           H        GLU  44  -5.208 -12.295   1.290
  323    HA   GLU  44           HA       GLU  44  -4.004 -14.203   1.334
  324    HB2  GLU  44           2HB      GLU  44  -3.635 -13.834  -1.096
  325    HB3  GLU  44           1HB      GLU  44  -2.160 -12.958  -0.705
  326    HG2  GLU  44           2HG      GLU  44  -1.177 -14.934   0.245
  327    HG3  GLU  44           1HG      GLU  44  -2.683 -15.827   0.040
  328    H    GLU  45           H        GLU  45  -1.931 -11.319   1.285
  329    HA   GLU  45           HA       GLU  45   0.151 -12.316   2.856
  330    HB2  GLU  45           2HB      GLU  45   0.301 -10.229   1.615
  331    HB3  GLU  45           1HB      GLU  45  -0.915  -9.496   2.643
  332    HG2  GLU  45           2HG      GLU  45   1.194  -8.676   3.329
  333    HG3  GLU  45           1HG      GLU  45   0.639  -9.797   4.568
  334    H    GLU  46           H        GLU  46  -2.074  -9.861   4.189
  335    HA   GLU  46           HA       GLU  46  -2.662 -11.582   6.456
  336    HB2  GLU  46           2HB      GLU  46  -1.327  -8.890   6.765
  337    HB3  GLU  46           1HB      GLU  46  -2.128  -9.739   8.076
  338    HG2  GLU  46           2HG      GLU  46  -0.552 -11.586   7.843
  339    HG3  GLU  46           1HG      GLU  46   0.252 -10.728   6.530
  340    H    GLY  47           H        GLY  47  -3.087  -8.204   6.932
  341    HA2  GLY  47           2HA      GLY  47  -5.331  -7.589   5.448
  342    HA3  GLY  47           1HA      GLY  47  -5.921  -8.408   6.881
  343    H    MET  48           H        MET  48  -6.214  -7.243   8.677
  344    HA   MET  48           HA       MET  48  -6.172  -4.518   8.734
  345    HB2  MET  48           2HB      MET  48  -7.414  -5.860  10.320
  346    HB3  MET  48           1HB      MET  48  -5.917  -6.442  11.038
  347    HG2  MET  48           2HG      MET  48  -6.994  -4.721  12.385
  348    HG3  MET  48           1HG      MET  48  -5.379  -4.263  11.848
  349    HE1  MET  48           3HE      MET  48  -5.311  -1.915  12.015
  350    HE2  MET  48           1HE      MET  48  -6.805  -1.960  12.946
  351    HE3  MET  48           2HE      MET  48  -6.608  -0.777  11.651
  352    HA   PRO  49           HA       PRO  49  -1.719  -4.649  10.828
  353    HB2  PRO  49           2HB      PRO  49  -0.220  -6.725   9.787
  354    HB3  PRO  49           1HB      PRO  49  -0.951  -6.719  11.394
  355    HG2  PRO  49           2HG      PRO  49  -1.955  -7.939   8.860
  356    HG3  PRO  49           1HG      PRO  49  -1.973  -8.603  10.502
  357    HD2  PRO  49           2HD      PRO  49  -4.168  -7.573   9.419
  358    HD3  PRO  49           1HD      PRO  49  -3.791  -7.308  11.139
  359    H    LEU  50           H        LEU  50  -2.433  -5.904   7.576
  360    HA   LEU  50           HA       LEU  50  -0.283  -4.799   6.148
  361    HB2  LEU  50           2HB      LEU  50  -3.173  -5.093   5.341
  362    HB3  LEU  50           1HB      LEU  50  -1.917  -4.570   4.247
  363    HG   LEU  50           HG       LEU  50  -1.934  -7.260   5.595
  364   HD11  LEU  50          1HD1      LEU  50  -2.837  -6.446   2.839
  365   HD12  LEU  50          2HD1      LEU  50  -3.894  -6.935   4.161
  366   HD13  LEU  50          3HD1      LEU  50  -2.758  -8.091   3.468
  367   HD21  LEU  50          3HD2      LEU  50  -0.433  -7.734   3.632
  368   HD22  LEU  50          1HD2      LEU  50   0.247  -6.682   4.871
  369   HD23  LEU  50          2HD2      LEU  50  -0.367  -5.993   3.369
  370    H    ARG  51           H        ARG  51  -3.444  -3.512   6.980
  371    HA   ARG  51           HA       ARG  51  -3.161  -1.074   5.624
  372    HB2  ARG  51           2HB      ARG  51  -5.310  -1.700   6.171
  373    HB3  ARG  51           1HB      ARG  51  -4.922  -2.024   7.856
  374    HG2  ARG  51           2HG      ARG  51  -4.540   0.485   8.063
  375    HG3  ARG  51           1HG      ARG  51  -5.323   0.617   6.486
  376    HD2  ARG  51           2HD      ARG  51  -6.494  -0.489   9.033
  377    HD3  ARG  51           1HD      ARG  51  -6.983   0.971   8.175
  378    HE   ARG  51           HE       ARG  51  -7.312  -1.092   6.380
  379   HH11  ARG  51          1HH1      ARG  51  -8.567  -0.257   9.533
  380   HH12  ARG  51          2HH1      ARG  51 -10.066  -1.096   9.298
  381   HH21  ARG  51          1HH2      ARG  51  -9.288  -2.202   6.067
  382   HH22  ARG  51          2HH2      ARG  51 -10.476  -2.205   7.334
  383    H    ALA  52           H        ALA  52  -2.548  -1.920   9.011
  384    HA   ALA  52           HA       ALA  52  -1.798   0.669   9.804
  385    HB1  ALA  52           1HB      ALA  52  -0.804  -0.393  11.756
  386    HB2  ALA  52           2HB      ALA  52  -0.895  -1.967  10.963
  387    HB3  ALA  52           3HB      ALA  52  -2.375  -1.109  11.389
  388    H    TRP  53           H        TRP  53   0.258  -2.097   8.737
  389    HA   TRP  53           HA       TRP  53   2.619  -0.513   9.045
  390    HB2  TRP  53           2HB      TRP  53   3.885  -2.372   8.469
  391    HB3  TRP  53           1HB      TRP  53   2.460  -3.071   9.211
  392    HD1  TRP  53           HD       TRP  53   1.179  -4.847   7.858
  393    HE1  TRP  53           1HE      TRP  53   1.417  -5.844   5.501
  394    HE3  TRP  53           3HE      TRP  53   4.642  -1.621   5.937
  395    HZ2  TRP  53           2HZ      TRP  53   2.860  -5.339   3.146
  396    HZ3  TRP  53           3HZ      TRP  53   5.403  -1.956   3.626
  397    HH2  TRP  53           HH       TRP  53   4.523  -3.777   2.258
  398    H    VAL  54           H        VAL  54   0.544  -1.321   6.328
  399    HA   VAL  54           HA       VAL  54   2.362  -0.419   4.343
  400    HB   VAL  54           HB       VAL  54   0.146  -1.928   4.206
  401   HG11  VAL  54          1HG1      VAL  54  -1.582  -0.748   2.905
  402   HG12  VAL  54          2HG1      VAL  54  -0.766   0.776   3.254
  403   HG13  VAL  54          3HG1      VAL  54  -1.451  -0.179   4.569
  404   HG21  VAL  54          3HG2      VAL  54   1.281  -0.275   1.960
  405   HG22  VAL  54          1HG2      VAL  54   0.282  -1.713   1.762
  406   HG23  VAL  54          2HG2      VAL  54   1.869  -1.839   2.520
  407    H    ILE  55           H        ILE  55  -0.472   1.085   5.908
  408    HA   ILE  55           HA       ILE  55  -0.216   3.580   4.640
  409    HB   ILE  55           HB       ILE  55  -1.387   2.778   7.293
  410   HG12  ILE  55          2HG1      ILE  55  -2.643   3.619   4.677
  411   HG13  ILE  55          1HG1      ILE  55  -2.462   1.957   5.235
  412   HG21  ILE  55          1HG2      ILE  55  -1.562   5.488   5.989
  413   HG22  ILE  55          2HG2      ILE  55  -0.683   5.103   7.470
  414   HG23  ILE  55          3HG2      ILE  55  -2.440   4.963   7.427
  415   HD11  ILE  55          3HD1      ILE  55  -3.907   2.458   7.146
  416   HD12  ILE  55          1HD1      ILE  55  -4.713   2.743   5.600
  417   HD13  ILE  55          2HD1      ILE  55  -4.110   4.106   6.544
  418    H    LYS  56           H        LYS  56   1.271   2.286   7.586
  419    HA   LYS  56           HA       LYS  56   2.545   4.657   8.407
  420    HB2  LYS  56           2HB      LYS  56   2.298   2.558   9.767
  421    HB3  LYS  56           1HB      LYS  56   3.563   1.836   8.786
  422    HG2  LYS  56           2HG      LYS  56   4.527   2.589  10.836
  423    HG3  LYS  56           1HG      LYS  56   5.100   3.634   9.536
  424    HD2  LYS  56           2HD      LYS  56   4.522   4.953  11.496
  425    HD3  LYS  56           1HD      LYS  56   3.424   5.316  10.166
  426    HE2  LYS  56           2HE      LYS  56   1.724   3.881  11.145
  427    HE3  LYS  56           1HE      LYS  56   2.828   3.427  12.442
  428    HZ1  LYS  56           3HZ      LYS  56   1.284   5.119  13.175
  429    HZ2  LYS  56           1HZ      LYS  56   1.771   6.153  11.930
  430    HZ3  LYS  56           2HZ      LYS  56   2.853   5.744  13.161
  431    H    CYS  57           H        CYS  57   3.700   1.972   6.380
  432    HA   CYS  57           HA       CYS  57   6.283   3.019   5.936
  433    HB2  CYS  57           2HB      CYS  57   5.655   0.641   5.581
  434    HB3  CYS  57           1HB      CYS  57   4.707   1.123   4.180
  435    HG   CYS  57           HG       CYS  57   6.719   1.590   2.512
  436    H    ALA  58           H        ALA  58   3.319   3.137   3.973
  437    HA   ALA  58           HA       ALA  58   4.383   4.593   1.820
  438    HB1  ALA  58           1HB      ALA  58   2.234   3.430   1.714
  439    HB2  ALA  58           2HB      ALA  58   2.070   5.123   1.253
  440    HB3  ALA  58           3HB      ALA  58   1.547   4.590   2.850
  441    H    HIS  59           H        HIS  59   2.966   5.637   4.873
  442    HA   HIS  59           HA       HIS  59   2.839   8.393   4.366
  443    HB2  HIS  59           2HB      HIS  59   1.906   7.054   6.359
  444    HB3  HIS  59           1HB      HIS  59   3.514   7.197   7.054
  445    HD1  HIS  59           1HD      HIS  59   1.282   8.403   8.623
  446    HD2  HIS  59           2HD      HIS  59   3.317  10.514   5.685
  447    HE1  HIS  59           1HE      HIS  59   0.912  10.829   9.160
  448    HE2  HIS  59           2HE      HIS  59   2.324  12.079   7.491
  449    H    GLU  60           H        GLU  60   5.421   6.396   5.764
  450    HA   GLU  60           HA       GLU  60   7.275   8.469   6.202
  451    HB2  GLU  60           2HB      GLU  60   7.693   5.522   5.695
  452    HB3  GLU  60           1HB      GLU  60   8.968   6.621   6.198
  453    HG2  GLU  60           2HG      GLU  60   6.461   6.049   7.758
  454    HG3  GLU  60           1HG      GLU  60   8.036   5.314   8.055
  455    H    ALA  61           H        ALA  61   6.852   6.254   3.460
  456    HA   ALA  61           HA       ALA  61   9.097   7.127   1.998
  457    HB1  ALA  61           1HB      ALA  61   8.098   5.964   0.106
  458    HB2  ALA  61           2HB      ALA  61   6.563   5.862   0.965
  459    HB3  ALA  61           3HB      ALA  61   7.973   4.996   1.574
  460    H    LEU  62           H        LEU  62   5.717   8.144   1.956
  461    HA   LEU  62           HA       LEU  62   5.930   9.833  -0.298
  462    HB2  LEU  62           2HB      LEU  62   3.832   8.890   0.594
  463    HB3  LEU  62           1HB      LEU  62   3.956   9.942   1.985
  464    HG   LEU  62           HG       LEU  62   2.302  10.641   0.235
  465   HD11  LEU  62          1HD1      LEU  62   4.513  12.606   0.787
  466   HD12  LEU  62          2HD1      LEU  62   3.139  12.260   1.838
  467   HD13  LEU  62          3HD1      LEU  62   2.878  13.006   0.261
  468   HD21  LEU  62          3HD2      LEU  62   3.155  11.719  -1.786
  469   HD22  LEU  62          1HD2      LEU  62   3.532   9.998  -1.734
  470   HD23  LEU  62          2HD2      LEU  62   4.783  11.189  -1.373
  471    H    GLU  63           H        GLU  63   6.143  10.497   3.197
  472    HA   GLU  63           HA       GLU  63   6.493  13.309   2.813
  473    HB2  GLU  63           2HB      GLU  63   6.979  11.511   5.191
  474    HB3  GLU  63           1HB      GLU  63   7.188  13.257   5.242
  475    HG2  GLU  63           2HG      GLU  63   4.608  11.910   4.479
  476    HG3  GLU  63           1HG      GLU  63   5.006  12.412   6.121
  477    H    LYS  64           H        LYS  64   8.652  10.581   2.931
  478    HA   LYS  64           HA       LYS  64  11.063  11.972   3.430
  479    HB2  LYS  64           2HB      LYS  64  10.856   9.539   3.662
  480    HB3  LYS  64           1HB      LYS  64  10.585   9.387   1.932
  481    HG2  LYS  64           2HG      LYS  64  12.827  10.150   1.474
  482    HG3  LYS  64           1HG      LYS  64  13.108  10.438   3.192
  483    HD2  LYS  64           2HD      LYS  64  12.815   8.052   3.642
  484    HD3  LYS  64           1HD      LYS  64  12.515   7.762   1.926
  485    HE2  LYS  64           2HE      LYS  64  14.823   7.214   2.589
  486    HE3  LYS  64           1HE      LYS  64  14.753   8.488   1.376
  487    HZ1  LYS  64           3HZ      LYS  64  16.343   8.986   3.136
  488    HZ2  LYS  64           1HZ      LYS  64  15.112   8.922   4.291
  489    HZ3  LYS  64           2HZ      LYS  64  15.094  10.122   3.104
  490    H    ASN  65           H        ASN  65   9.219  11.329   0.544
  491    HA   ASN  65           HA       ASN  65  10.768  13.306  -0.904
  492    HB2  ASN  65           2HB      ASN  65  10.780  11.703  -2.934
  493    HB3  ASN  65           1HB      ASN  65  11.984  11.454  -1.676
  494   HD21  ASN  65          1HD2      ASN  65   8.921  10.330  -2.927
  495   HD22  ASN  65          2HD2      ASN  65   9.041   8.715  -2.330
  496    HA   PRO  66           HA       PRO  66   6.171  13.362  -1.213
  497    HB2  PRO  66           2HB      PRO  66   5.773  15.946  -0.642
  498    HB3  PRO  66           1HB      PRO  66   6.176  14.773   0.612
  499    HG2  PRO  66           2HG      PRO  66   7.976  16.710  -0.802
  500    HG3  PRO  66           1HG      PRO  66   7.864  16.353   0.933
  501    HD2  PRO  66           2HD      PRO  66   9.760  15.259  -0.684
  502    HD3  PRO  66           1HD      PRO  66   9.117  14.438   0.748
  503    H    LYS  67           H        LYS  67   8.074  13.647  -3.479
  504    HA   LYS  67           HA       LYS  67   6.317  15.287  -5.181
  505    HB2  LYS  67           2HB      LYS  67   9.298  14.865  -5.446
  506    HB3  LYS  67           1HB      LYS  67   8.300  15.546  -6.717
  507    HG2  LYS  67           2HG      LYS  67   9.208  17.409  -5.707
  508    HG3  LYS  67           1HG      LYS  67   7.617  17.290  -4.956
  509    HD2  LYS  67           2HD      LYS  67   8.663  16.116  -3.038
  510    HD3  LYS  67           1HD      LYS  67  10.242  16.376  -3.786
  511    HE2  LYS  67           2HE      LYS  67   8.312  18.517  -2.914
  512    HE3  LYS  67           1HE      LYS  67   9.794  18.055  -2.081
  513    HZ1  LYS  67           3HZ      LYS  67  11.064  18.776  -3.995
  514    HZ2  LYS  67           1HZ      LYS  67  10.095  20.043  -3.437
  515    HZ3  LYS  67           2HZ      LYS  67   9.652  19.186  -4.824
  516    H    ILE  68           H        ILE  68   6.510  12.364  -4.317
  517    HA   ILE  68           HA       ILE  68   6.793  11.105  -6.947
  518    HB   ILE  68           HB       ILE  68   6.451   8.965  -5.748
  519   HG12  ILE  68          2HG1      ILE  68   6.711  10.566  -3.188
  520   HG13  ILE  68          1HG1      ILE  68   5.167  10.029  -3.836
  521   HG21  ILE  68          1HG2      ILE  68   8.704  10.731  -4.841
  522   HG22  ILE  68          2HG2      ILE  68   8.669   9.655  -6.237
  523   HG23  ILE  68          3HG2      ILE  68   8.659   8.982  -4.608
  524   HD11  ILE  68          3HD1      ILE  68   7.446   8.236  -3.044
  525   HD12  ILE  68          1HD1      ILE  68   5.867   7.722  -3.633
  526   HD13  ILE  68          2HD1      ILE  68   6.000   8.557  -2.087
  527    H    ARG  69           H        ARG  69   5.120   9.160  -7.067
  528    HA   ARG  69           HA       ARG  69   2.462  10.075  -6.332
  529    HB2  ARG  69           2HB      ARG  69   1.555  10.093  -8.519
  530    HB3  ARG  69           1HB      ARG  69   3.013  11.072  -8.578
  531    HG2  ARG  69           2HG      ARG  69   4.227   9.276  -9.633
  532    HG3  ARG  69           1HG      ARG  69   2.831   8.206  -9.477
  533    HD2  ARG  69           2HD      ARG  69   1.556   9.941 -10.836
  534    HD3  ARG  69           1HD      ARG  69   3.129  10.650 -11.200
  535    HE   ARG  69           HE       ARG  69   3.546   8.132 -11.927
  536   HH11  ARG  69          1HH1      ARG  69   0.865  10.276 -12.586
  537   HH12  ARG  69          2HH1      ARG  69   0.425   9.474 -14.061
  538   HH21  ARG  69          1HH2      ARG  69   2.966   7.080 -13.880
  539   HH22  ARG  69          2HH2      ARG  69   1.615   7.672 -14.796
  540    H    GLU  70           H        GLU  70   4.671   7.561  -6.916
  541    HA   GLU  70           HA       GLU  70   2.856   5.749  -5.695
  542    HB2  GLU  70           2HB      GLU  70   2.799   4.064  -7.494
  543    HB3  GLU  70           1HB      GLU  70   1.978   5.565  -7.931
  544    HG2  GLU  70           2HG      GLU  70   3.811   6.236  -9.312
  545    HG3  GLU  70           1HG      GLU  70   4.800   4.893  -8.743
  546    H    VAL  71           H        VAL  71   3.856   3.738  -5.071
  547    HA   VAL  71           HA       VAL  71   6.698   3.446  -5.686
  548    HB   VAL  71           HB       VAL  71   7.327   2.969  -3.378
  549   HG11  VAL  71          1HG1      VAL  71   7.713   5.209  -4.173
  550   HG12  VAL  71          2HG1      VAL  71   7.261   5.250  -2.470
  551   HG13  VAL  71          3HG1      VAL  71   6.082   5.686  -3.707
  552   HG21  VAL  71          3HG2      VAL  71   4.557   3.879  -2.632
  553   HG22  VAL  71          1HG2      VAL  71   5.865   3.523  -1.506
  554   HG23  VAL  71          2HG2      VAL  71   5.185   2.237  -2.503
  555    H    TYR  72           H        TYR  72   7.545   1.334  -5.099
  556    HA   TYR  72           HA       TYR  72   5.451  -0.733  -5.284
  557    HB2  TYR  72           2HB      TYR  72   8.362  -0.930  -6.115
  558    HB3  TYR  72           1HB      TYR  72   7.118  -2.149  -6.369
  559    HD1  TYR  72           2HD      TYR  72   8.449   1.073  -7.488
  560    HD2  TYR  72           1HD      TYR  72   5.480  -1.904  -8.143
  561    HE1  TYR  72           2HE      TYR  72   7.954   2.060  -9.682
  562    HE2  TYR  72           1HE      TYR  72   4.982  -0.925 -10.343
  563    HH   TYR  72           HH       TYR  72   5.207   1.287 -11.471
  564    H    LEU  73           H        LEU  73   5.193  -1.985  -3.683
  565    HA   LEU  73           HA       LEU  73   7.179  -1.905  -1.525
  566    HB2  LEU  73           2HB      LEU  73   5.239  -0.405  -1.216
  567    HB3  LEU  73           1HB      LEU  73   4.170  -1.778  -1.371
  568    HG   LEU  73           HG       LEU  73   4.974  -2.709   0.661
  569   HD11  LEU  73          1HD1      LEU  73   6.595  -1.480   2.081
  570   HD12  LEU  73          2HD1      LEU  73   6.887  -0.384   0.730
  571   HD13  LEU  73          3HD1      LEU  73   7.296  -2.093   0.586
  572   HD21  LEU  73          3HD2      LEU  73   4.186  -1.008   2.223
  573   HD22  LEU  73          1HD2      LEU  73   3.187  -1.040   0.770
  574   HD23  LEU  73          2HD2      LEU  73   4.392   0.230   0.984
  575    H    LYS  74           H        LYS  74   7.499  -3.800  -0.389
  576    HA   LYS  74           HA       LYS  74   6.079  -6.174  -1.418
  577    HB2  LYS  74           2HB      LYS  74   8.808  -5.612  -1.507
  578    HB3  LYS  74           1HB      LYS  74   8.648  -6.696  -0.133
  579    HG2  LYS  74           2HG      LYS  74   7.125  -7.722  -2.324
  580    HG3  LYS  74           1HG      LYS  74   8.763  -7.356  -2.863
  581    HD2  LYS  74           2HD      LYS  74   8.821  -9.587  -2.098
  582    HD3  LYS  74           1HD      LYS  74   9.569  -8.622  -0.824
  583    HE2  LYS  74           2HE      LYS  74   7.299  -8.572   0.286
  584    HE3  LYS  74           1HE      LYS  74   6.799  -9.791  -0.885
  585    HZ1  LYS  74           3HZ      LYS  74   7.493 -10.832   1.153
  586    HZ2  LYS  74           1HZ      LYS  74   8.996 -10.055   1.089
  587    HZ3  LYS  74           2HZ      LYS  74   8.596 -11.214  -0.072
  588    HA   PRO  75           HA       PRO  75   4.724  -6.283   2.786
  589    HB2  PRO  75           2HB      PRO  75   3.280  -8.570   2.692
  590    HB3  PRO  75           1HB      PRO  75   2.721  -7.042   2.008
  591    HG2  PRO  75           2HG      PRO  75   3.830  -9.435   0.647
  592    HG3  PRO  75           1HG      PRO  75   2.599  -8.289   0.100
  593    HD2  PRO  75           2HD      PRO  75   5.251  -8.281  -0.716
  594    HD3  PRO  75           1HD      PRO  75   4.134  -6.914  -0.838
  595    H    ARG  76           H        ARG  76   4.465  -8.089   4.518
  596    HA   ARG  76           HA       ARG  76   7.168  -8.297   5.284
  597    HB2  ARG  76           2HB      ARG  76   4.803  -9.502   6.691
  598    HB3  ARG  76           1HB      ARG  76   6.323  -8.984   7.402
  599    HG2  ARG  76           2HG      ARG  76   5.827  -6.697   7.072
  600    HG3  ARG  76           1HG      ARG  76   4.458  -7.073   6.026
  601    HD2  ARG  76           2HD      ARG  76   3.590  -6.407   8.139
  602    HD3  ARG  76           1HD      ARG  76   3.359  -8.150   7.991
  603    HE   ARG  76           HE       ARG  76   5.766  -7.342   9.381
  604   HH11  ARG  76          1HH1      ARG  76   2.420  -8.343   9.614
  605   HH12  ARG  76          2HH1      ARG  76   2.509  -8.676  11.316
  606   HH21  ARG  76          1HH2      ARG  76   5.895  -7.799  11.610
  607   HH22  ARG  76          2HH2      ARG  76   4.491  -8.378  12.454
  608    H    ALA  77           H        ALA  77   4.794 -10.716   4.289
  609    HA   ALA  77           HA       ALA  77   6.355 -12.951   5.078
  610    HB1  ALA  77           1HB      ALA  77   3.937 -13.096   4.721
  611    HB2  ALA  77           2HB      ALA  77   4.816 -14.280   3.755
  612    HB3  ALA  77           3HB      ALA  77   4.179 -12.822   2.996
  613    H    VAL  78           H        VAL  78   8.399 -12.711   4.350
  614    HA   VAL  78           HA       VAL  78   9.209 -12.256   1.702
  615    HB   VAL  78           HB       VAL  78  10.642 -13.902   3.798
  616   HG11  VAL  78          1HG1      VAL  78  11.707 -12.477   1.361
  617   HG12  VAL  78          2HG1      VAL  78  11.571 -14.222   1.567
  618   HG13  VAL  78          3HG1      VAL  78  12.680 -13.300   2.581
  619   HG21  VAL  78          3HG2      VAL  78  10.797 -10.949   3.210
  620   HG22  VAL  78          1HG2      VAL  78  11.815 -11.824   4.354
  621   HG23  VAL  78          2HG2      VAL  78  10.080 -11.690   4.640
  622    H    LYS  79           H        LYS  79   8.124 -15.144   3.333
  623    HA   LYS  79           HA       LYS  79   9.088 -17.051   1.491
  624    HB2  LYS  79           2HB      LYS  79   8.370 -17.603   3.774
  625    HB3  LYS  79           1HB      LYS  79   6.710 -17.218   3.347
  626    HG2  LYS  79           2HG      LYS  79   6.645 -19.057   1.782
  627    HG3  LYS  79           1HG      LYS  79   8.347 -19.408   2.086
  628    HD2  LYS  79           2HD      LYS  79   6.944 -20.948   3.324
  629    HD3  LYS  79           1HD      LYS  79   7.808 -19.889   4.439
  630    HE2  LYS  79           2HE      LYS  79   5.809 -18.502   4.670
  631    HE3  LYS  79           1HE      LYS  79   4.947 -19.546   3.542
  632    HZ1  LYS  79           3HZ      LYS  79   6.048 -20.388   6.166
  633    HZ2  LYS  79           1HZ      LYS  79   5.194 -21.372   5.093
  634    HZ3  LYS  79           2HZ      LYS  79   4.423 -20.072   5.842
  635    H    ASN  80           H        ASN  80   6.351 -14.918   1.390
  636    HA   ASN  80           HA       ASN  80   4.739 -16.321  -0.450
  637    HB2  ASN  80           2HB      ASN  80   4.992 -13.425   0.271
  638    HB3  ASN  80           1HB      ASN  80   4.012 -13.900  -1.110
  639   HD21  ASN  80          1HD2      ASN  80   3.055 -12.594   1.201
  640   HD22  ASN  80          2HD2      ASN  80   1.956 -13.676   1.978
  641    H    SER  81           H        SER  81   7.517 -14.290  -0.809
  642    HA   SER  81           HA       SER  81   8.810 -13.584  -2.489
  643    HB2  SER  81           2HB      SER  81   9.322 -15.137  -4.288
  644    HB3  SER  81           1HB      SER  81   9.208 -15.991  -2.756
  645    HG   SER  81           HG       SER  81   7.683 -17.163  -3.589
  646    H    SER  82           H        SER  82   6.064 -14.928  -4.324
  647    HA   SER  82           HA       SER  82   6.282 -12.674  -6.150
  648    HB2  SER  82           2HB      SER  82   4.492 -15.098  -6.370
  649    HB3  SER  82           1HB      SER  82   4.976 -13.995  -7.662
  650    HG   SER  82           HG       SER  82   6.782 -15.603  -6.167
  651    H    VAL  83           H        VAL  83   5.401 -11.588  -3.954
  652    HA   VAL  83           HA       VAL  83   2.680 -10.855  -4.717
  653    HB   VAL  83           HB       VAL  83   2.425 -12.363  -2.769
  654   HG11  VAL  83          1HG1      VAL  83   4.050 -10.309  -1.279
  655   HG12  VAL  83          2HG1      VAL  83   4.576 -11.941  -1.689
  656   HG13  VAL  83          3HG1      VAL  83   3.233 -11.702  -0.567
  657   HG21  VAL  83          3HG2      VAL  83   1.058 -10.863  -1.394
  658   HG22  VAL  83          1HG2      VAL  83   0.807 -10.582  -3.117
  659   HG23  VAL  83          2HG2      VAL  83   1.804  -9.471  -2.178
  660    H    GLN  84           H        GLN  84   2.425  -8.697  -4.808
  661    HA   GLN  84           HA       GLN  84   4.433  -7.005  -3.511
  662    HB2  GLN  84           2HB      GLN  84   3.810  -7.040  -6.461
  663    HB3  GLN  84           1HB      GLN  84   4.636  -5.707  -5.666
  664    HG2  GLN  84           2HG      GLN  84   6.473  -7.123  -5.067
  665    HG3  GLN  84           1HG      GLN  84   5.625  -8.549  -5.660
  666   HE21  GLN  84          1HE2      GLN  84   4.575  -7.201  -7.988
  667   HE22  GLN  84          2HE2      GLN  84   5.896  -7.004  -9.083
  668    H    PHE  85           H        PHE  85   3.696  -5.107  -2.827
  669    HA   PHE  85           HA       PHE  85   0.919  -4.420  -3.454
  670    HB2  PHE  85           2HB      PHE  85   2.703  -3.793  -1.119
  671    HB3  PHE  85           1HB      PHE  85   1.300  -2.787  -1.477
  672    HD1  PHE  85           1HD      PHE  85   2.016  -6.459  -1.342
  673    HD2  PHE  85           2HD      PHE  85  -0.531  -3.256  -0.185
  674    HE1  PHE  85           1HE      PHE  85   0.566  -8.048  -0.148
  675    HE2  PHE  85           2HE      PHE  85  -1.984  -4.837   1.014
  676    HZ   PHE  85           HZ       PHE  85  -1.435  -7.239   1.032
  677    H    HIS  86           H        HIS  86   0.575  -2.867  -4.799
  678    HA   HIS  86           HA       HIS  86   2.758  -0.990  -5.411
  679    HB2  HIS  86           2HB      HIS  86   2.041  -2.442  -7.279
  680    HB3  HIS  86           1HB      HIS  86   0.390  -1.869  -7.093
  681    HD1  HIS  86           1HD      HIS  86   0.198  -0.849  -9.395
  682    HD2  HIS  86           2HD      HIS  86   3.435   0.618  -7.234
  683    HE1  HIS  86           1HE      HIS  86   1.081   1.087 -10.730
  684    HE2  HIS  86           2HE      HIS  86   3.051   1.959  -9.423
  685    H    VAL  87           H        VAL  87   2.413   0.798  -4.169
  686    HA   VAL  87           HA       VAL  87  -0.386   1.596  -3.805
  687    HB   VAL  87           HB       VAL  87   1.084   1.331  -1.762
  688   HG11  VAL  87          1HG1      VAL  87   2.538   3.168  -1.151
  689   HG12  VAL  87          2HG1      VAL  87   2.289   3.897  -2.738
  690   HG13  VAL  87          3HG1      VAL  87   3.109   2.341  -2.601
  691   HG21  VAL  87          3HG2      VAL  87  -0.205   4.015  -2.210
  692   HG22  VAL  87          1HG2      VAL  87   0.150   3.289  -0.645
  693   HG23  VAL  87          2HG2      VAL  87  -1.031   2.539  -1.716
  694    H    ILE  88           H        ILE  88  -1.193   3.202  -4.847
  695    HA   ILE  88           HA       ILE  88   0.635   4.972  -6.309
  696    HB   ILE  88           HB       ILE  88  -2.183   4.149  -7.002
  697   HG12  ILE  88          2HG1      ILE  88   0.439   3.460  -8.344
  698   HG13  ILE  88          1HG1      ILE  88  -0.450   2.377  -7.272
  699   HG21  ILE  88          1HG2      ILE  88  -0.213   5.869  -8.488
  700   HG22  ILE  88          2HG2      ILE  88  -1.717   6.399  -7.736
  701   HG23  ILE  88          3HG2      ILE  88  -1.759   5.306  -9.121
  702   HD11  ILE  88          3HD1      ILE  88  -2.322   2.370  -8.820
  703   HD12  ILE  88          1HD1      ILE  88  -0.835   1.841  -9.608
  704   HD13  ILE  88          2HD1      ILE  88  -1.451   3.469  -9.889
  705    H    PHE  89           H        PHE  89   0.417   7.088  -6.125
  706    HA   PHE  89           HA       PHE  89  -1.465   8.061  -4.113
  707    HB2  PHE  89           2HB      PHE  89   1.141   9.173  -5.141
  708    HB3  PHE  89           1HB      PHE  89   0.093  10.001  -3.996
  709    HD1  PHE  89           1HD      PHE  89  -0.653   8.563  -1.961
  710    HD2  PHE  89           2HD      PHE  89   2.820   7.831  -4.303
  711    HE1  PHE  89           1HE      PHE  89   0.300   7.248  -0.130
  712    HE2  PHE  89           2HE      PHE  89   3.783   6.517  -2.461
  713    HZ   PHE  89           HZ       PHE  89   2.500   6.228  -0.389
  714    H    ASP  90           H        ASP  90  -3.254   8.909  -5.039
  715    HA   ASP  90           HA       ASP  90  -3.183  10.144  -7.635
  716    HB2  ASP  90           2HB      ASP  90  -5.341  10.034  -5.519
  717    HB3  ASP  90           1HB      ASP  90  -5.548  10.821  -7.080
  718    H    GLU  91           H        GLU  91  -2.598  12.162  -8.054
  719    HA   GLU  91           HA       GLU  91  -1.806  13.791  -5.812
  720    HB2  GLU  91           2HB      GLU  91  -0.836  15.309  -7.512
  721    HB3  GLU  91           1HB      GLU  91  -0.248  13.661  -7.638
  722    HG2  GLU  91           2HG      GLU  91  -2.458  14.731  -9.365
  723    HG3  GLU  91           1HG      GLU  91  -0.755  14.868  -9.795
  724    H    GLU  92           H        GLU  92  -2.881  15.358  -4.954
  725    HA   GLU  92           HA       GLU  92  -4.807  16.925  -6.403
  726    HB2  GLU  92           2HB      GLU  92  -6.629  16.423  -4.752
  727    HB3  GLU  92           1HB      GLU  92  -6.249  15.093  -5.834
  728    HG2  GLU  92           2HG      GLU  92  -4.991  13.987  -4.092
  729    HG3  GLU  92           1HG      GLU  92  -5.252  15.351  -3.005
  Start of MODEL   14
    1    H1   GLY   1           1HT      GLY   1   7.522 -28.350 -23.410
    2    H2   GLY   1           2HT      GLY   1   6.490 -27.207 -24.106
    3    H3   GLY   1           3HT      GLY   1   6.117 -27.881 -22.599
    4    HA2  GLY   1           1HA      GLY   1   8.439 -26.134 -23.189
    5    HA3  GLY   1           2HA      GLY   1   6.974 -25.637 -22.352
    6    H    SER   2           H        SER   2   8.933 -25.084 -20.864
    7    HA   SER   2           HA       SER   2   8.953 -27.178 -18.829
    8    HB2  SER   2           2HB      SER   2  11.432 -26.558 -18.432
    9    HB3  SER   2           1HB      SER   2  11.053 -27.614 -19.793
   10    HG   SER   2           HG       SER   2  12.459 -25.529 -19.990
   11    H    ALA   3           H        ALA   3  10.009 -23.861 -19.573
   12    HA   ALA   3           HA       ALA   3   8.588 -22.890 -17.240
   13    HB1  ALA   3           1HB      ALA   3  11.563 -22.455 -17.511
   14    HB2  ALA   3           2HB      ALA   3  10.782 -23.501 -16.324
   15    HB3  ALA   3           3HB      ALA   3  10.515 -21.758 -16.275
   16    H    MET   4           H        MET   4   7.326 -21.581 -18.448
   17    HA   MET   4           HA       MET   4   8.592 -19.755 -20.359
   18    HB2  MET   4           2HB      MET   4   5.679 -20.377 -19.840
   19    HB3  MET   4           1HB      MET   4   6.253 -19.221 -21.033
   20    HG2  MET   4           2HG      MET   4   7.403 -21.014 -22.221
   21    HG3  MET   4           1HG      MET   4   6.835 -22.174 -21.021
   22    HE1  MET   4           3HE      MET   4   4.731 -23.061 -24.222
   23    HE2  MET   4           1HE      MET   4   5.837 -23.677 -22.995
   24    HE3  MET   4           2HE      MET   4   6.400 -22.495 -24.178
   25    H    GLY   5           H        GLY   5   7.818 -19.788 -17.159
   26    HA2  GLY   5           2HA      GLY   5   8.109 -17.952 -15.710
   27    HA3  GLY   5           1HA      GLY   5   7.802 -16.865 -17.057
   28    H    HIS   6           H        HIS   6   5.901 -19.598 -15.840
   29    HA   HIS   6           HA       HIS   6   3.540 -17.884 -15.844
   30    HB2  HIS   6           2HB      HIS   6   3.935 -20.859 -15.704
   31    HB3  HIS   6           1HB      HIS   6   2.387 -20.133 -15.292
   32    HD1  HIS   6           1HD      HIS   6   3.885 -21.734 -18.004
   33    HD2  HIS   6           2HD      HIS   6   1.670 -18.235 -17.639
   34    HE1  HIS   6           1HE      HIS   6   2.978 -21.266 -20.300
   35    HE2  HIS   6           2HE      HIS   6   1.449 -19.288 -19.990
   36    H    MET   7           H        MET   7   5.477 -17.421 -13.815
   37    HA   MET   7           HA       MET   7   4.242 -18.443 -11.379
   38    HB2  MET   7           2HB      MET   7   6.659 -16.672 -11.779
   39    HB3  MET   7           1HB      MET   7   6.080 -17.237 -10.220
   40    HG2  MET   7           2HG      MET   7   6.805 -19.182 -12.369
   41    HG3  MET   7           1HG      MET   7   8.050 -18.444 -11.369
   42    HE1  MET   7           3HE      MET   7   4.338 -19.938 -10.322
   43    HE2  MET   7           1HE      MET   7   4.943 -21.571 -10.064
   44    HE3  MET   7           2HE      MET   7   5.085 -20.819 -11.654
   45    HA   PRO   8           HA       PRO   8   1.590 -14.848 -11.743
   46    HB2  PRO   8           2HB      PRO   8   0.483 -15.881  -9.208
   47    HB3  PRO   8           1HB      PRO   8  -0.332 -15.548 -10.739
   48    HG2  PRO   8           2HG      PRO   8   0.116 -18.053  -9.925
   49    HG3  PRO   8           1HG      PRO   8   0.225 -17.604 -11.635
   50    HD2  PRO   8           2HD      PRO   8   2.422 -18.052  -9.651
   51    HD3  PRO   8           1HD      PRO   8   2.323 -18.542 -11.356
   52    H    ALA   9           H        ALA   9   2.912 -13.142 -11.298
   53    HA   ALA   9           HA       ALA   9   3.610 -12.515  -8.553
   54    HB1  ALA   9           1HB      ALA   9   5.170 -11.934 -10.359
   55    HB2  ALA   9           2HB      ALA   9   4.626 -10.498  -9.494
   56    HB3  ALA   9           3HB      ALA   9   3.947 -10.883 -11.074
   57    H    VAL  10           H        VAL  10   2.049 -11.804  -7.280
   58    HA   VAL  10           HA       VAL  10  -0.294 -10.528  -8.463
   59    HB   VAL  10           HB       VAL  10   0.163 -11.560  -5.657
   60   HG11  VAL  10          1HG1      VAL  10  -2.375 -10.549  -6.938
   61   HG12  VAL  10          2HG1      VAL  10  -1.450  -9.721  -5.688
   62   HG13  VAL  10          3HG1      VAL  10  -2.237 -11.258  -5.329
   63   HG21  VAL  10          3HG2      VAL  10  -1.368 -13.358  -6.309
   64   HG22  VAL  10          1HG2      VAL  10   0.080 -13.339  -7.316
   65   HG23  VAL  10          2HG2      VAL  10  -1.440 -12.700  -7.945
   66    H    ASP  11           H        ASP  11  -0.658  -8.422  -8.344
   67    HA   ASP  11           HA       ASP  11   0.708  -6.896  -6.235
   68    HB2  ASP  11           2HB      ASP  11   0.921  -4.990  -7.723
   69    HB3  ASP  11           1HB      ASP  11   1.692  -6.391  -8.451
   70    H    VAL  12           H        VAL  12  -0.625  -6.012  -4.859
   71    HA   VAL  12           HA       VAL  12  -3.434  -5.625  -5.621
   72    HB   VAL  12           HB       VAL  12  -2.158  -5.538  -2.876
   73   HG11  VAL  12          1HG1      VAL  12  -4.450  -5.605  -2.027
   74   HG12  VAL  12          2HG1      VAL  12  -5.065  -5.532  -3.678
   75   HG13  VAL  12          3HG1      VAL  12  -4.170  -4.167  -3.011
   76   HG21  VAL  12          3HG2      VAL  12  -3.804  -7.701  -4.186
   77   HG22  VAL  12          1HG2      VAL  12  -3.242  -7.704  -2.513
   78   HG23  VAL  12          2HG2      VAL  12  -2.077  -7.775  -3.836
   79    H    GLU  13           H        GLU  13  -4.180  -3.600  -6.021
   80    HA   GLU  13           HA       GLU  13  -2.226  -1.457  -5.735
   81    HB2  GLU  13           2HB      GLU  13  -4.764  -1.597  -7.368
   82    HB3  GLU  13           1HB      GLU  13  -3.677  -0.216  -7.320
   83    HG2  GLU  13           2HG      GLU  13  -1.880  -1.653  -8.219
   84    HG3  GLU  13           1HG      GLU  13  -3.044  -2.971  -8.354
   85    H    ILE  14           H        ILE  14  -2.365  -0.333  -3.960
   86    HA   ILE  14           HA       ILE  14  -5.011   0.275  -2.857
   87    HB   ILE  14           HB       ILE  14  -2.364   0.917  -1.536
   88   HG12  ILE  14          2HG1      ILE  14  -3.989  -1.619  -1.176
   89   HG13  ILE  14          1HG1      ILE  14  -2.466  -1.525  -2.053
   90   HG21  ILE  14          1HG2      ILE  14  -3.718   0.859   0.509
   91   HG22  ILE  14          2HG2      ILE  14  -5.148   0.491  -0.454
   92   HG23  ILE  14          3HG2      ILE  14  -4.326   2.040  -0.650
   93   HD11  ILE  14          3HD1      ILE  14  -2.139  -2.416   0.177
   94   HD12  ILE  14          1HD1      ILE  14  -2.861  -0.971   0.882
   95   HD13  ILE  14          2HD1      ILE  14  -1.333  -0.857   0.009
   96    H    HIS  15           H        HIS  15  -5.637   2.514  -2.600
   97    HA   HIS  15           HA       HIS  15  -3.884   4.340  -4.097
   98    HB2  HIS  15           2HB      HIS  15  -6.851   3.946  -4.268
   99    HB3  HIS  15           1HB      HIS  15  -6.141   5.505  -4.671
  100    HD1  HIS  15           1HD      HIS  15  -6.687   2.115  -6.003
  101    HD2  HIS  15           2HD      HIS  15  -4.383   5.447  -6.928
  102    HE1  HIS  15           1HE      HIS  15  -5.819   1.711  -8.328
  103    HE2  HIS  15           2HE      HIS  15  -4.580   3.822  -8.928
  104    H    PHE  16           H        PHE  16  -3.043   5.759  -2.809
  105    HA   PHE  16           HA       PHE  16  -4.627   6.738  -0.531
  106    HB2  PHE  16           2HB      PHE  16  -1.634   6.575  -0.919
  107    HB3  PHE  16           1HB      PHE  16  -2.399   7.410   0.418
  108    HD1  PHE  16           1HD      PHE  16  -4.624   5.359   0.881
  109    HD2  PHE  16           2HD      PHE  16  -0.427   5.001   0.307
  110    HE1  PHE  16           1HE      PHE  16  -4.623   3.280   2.195
  111    HE2  PHE  16           2HE      PHE  16  -0.419   2.921   1.612
  112    HZ   PHE  16           HZ       PHE  16  -2.513   2.063   2.557
  113    HA   PRO  17           HA       PRO  17  -4.729  10.609  -2.856
  114    HB2  PRO  17           2HB      PRO  17  -5.756  11.519  -0.230
  115    HB3  PRO  17           1HB      PRO  17  -6.452  11.730  -1.838
  116    HG2  PRO  17           2HG      PRO  17  -7.506   9.999  -0.106
  117    HG3  PRO  17           1HG      PRO  17  -7.421   9.624  -1.838
  118    HD2  PRO  17           2HD      PRO  17  -5.712   8.639   0.408
  119    HD3  PRO  17           1HD      PRO  17  -6.315   7.770  -1.019
  120    H    LEU  18           H        LEU  18  -3.121  11.931  -3.038
  121    HA   LEU  18           HA       LEU  18  -0.756  11.781  -1.663
  122    HB2  LEU  18           2HB      LEU  18  -1.392  12.850  -3.938
  123    HB3  LEU  18           1HB      LEU  18  -1.652  14.310  -3.018
  124    HG   LEU  18           HG       LEU  18   0.518  14.336  -4.108
  125   HD11  LEU  18          1HD1      LEU  18   0.810  14.037  -1.129
  126   HD12  LEU  18          2HD1      LEU  18   0.347  15.506  -1.986
  127   HD13  LEU  18          3HD1      LEU  18   1.959  14.826  -2.211
  128   HD21  LEU  18          3HD2      LEU  18   2.283  12.772  -3.459
  129   HD22  LEU  18          1HD2      LEU  18   0.933  11.969  -4.260
  130   HD23  LEU  18          2HD2      LEU  18   1.110  11.860  -2.509
  131    H    LYS  19           H        LYS  19  -3.361  14.153  -1.168
  132    HA   LYS  19           HA       LYS  19  -1.847  15.542   0.825
  133    HB2  LYS  19           2HB      LYS  19  -4.072  16.732   1.230
  134    HB3  LYS  19           1HB      LYS  19  -3.242  16.994  -0.290
  135    HG2  LYS  19           2HG      LYS  19  -4.789  15.500  -1.414
  136    HG3  LYS  19           1HG      LYS  19  -5.581  15.136   0.126
  137    HD2  LYS  19           2HD      LYS  19  -6.344  17.386   0.355
  138    HD3  LYS  19           1HD      LYS  19  -5.337  17.921  -0.983
  139    HE2  LYS  19           2HE      LYS  19  -7.698  17.777  -1.590
  140    HE3  LYS  19           1HE      LYS  19  -6.668  16.727  -2.547
  141    HZ1  LYS  19           3HZ      LYS  19  -8.846  15.783  -1.713
  142    HZ2  LYS  19           1HZ      LYS  19  -8.131  15.725  -0.185
  143    HZ3  LYS  19           2HZ      LYS  19  -7.472  14.831  -1.470
  144    H    ARG  20           H        ARG  20  -3.931  12.823   0.941
  145    HA   ARG  20           HA       ARG  20  -4.557  13.281   3.755
  146    HB2  ARG  20           2HB      ARG  20  -5.290  10.882   2.071
  147    HB3  ARG  20           1HB      ARG  20  -5.934  11.300   3.653
  148    HG2  ARG  20           2HG      ARG  20  -6.387  12.754   1.069
  149    HG3  ARG  20           1HG      ARG  20  -7.552  11.830   2.018
  150    HD2  ARG  20           2HD      ARG  20  -6.186  14.378   2.871
  151    HD3  ARG  20           1HD      ARG  20  -7.848  14.213   2.323
  152    HE   ARG  20           HE       ARG  20  -8.089  12.664   4.331
  153   HH11  ARG  20          1HH1      ARG  20  -5.909  15.416   4.265
  154   HH12  ARG  20          2HH1      ARG  20  -6.048  15.729   5.964
  155   HH21  ARG  20          1HH2      ARG  20  -8.261  13.084   6.574
  156   HH22  ARG  20          2HH2      ARG  20  -7.371  14.398   7.277
  157    H    ILE  21           H        ILE  21  -2.581  11.141   1.754
  158    HA   ILE  21           HA       ILE  21  -1.789   9.466   3.941
  159    HB   ILE  21           HB       ILE  21  -1.750   8.751   1.566
  160   HG12  ILE  21          2HG1      ILE  21   0.272   7.419   1.715
  161   HG13  ILE  21          1HG1      ILE  21   0.961   8.536   2.888
  162   HG21  ILE  21          1HG2      ILE  21   0.203   9.374   0.172
  163   HG22  ILE  21          2HG2      ILE  21   0.634  10.577   1.387
  164   HG23  ILE  21          3HG2      ILE  21  -0.884  10.724   0.503
  165   HD11  ILE  21          3HD1      ILE  21   0.119   6.434   3.866
  166   HD12  ILE  21          1HD1      ILE  21  -1.505   6.874   3.341
  167   HD13  ILE  21          2HD1      ILE  21  -0.660   7.870   4.524
  168    H    ALA  22           H        ALA  22  -0.938  12.567   2.886
  169    HA   ALA  22           HA       ALA  22   1.654  12.584   4.213
  170    HB1  ALA  22           1HB      ALA  22   0.162  14.797   2.804
  171    HB2  ALA  22           2HB      ALA  22   1.410  13.778   2.088
  172    HB3  ALA  22           3HB      ALA  22   1.819  14.881   3.401
  173    H    ALA  23           H        ALA  23  -1.445  12.706   5.191
  174    HA   ALA  23           HA       ALA  23  -1.100  14.844   7.161
  175    HB1  ALA  23           1HB      ALA  23  -3.544  13.215   6.461
  176    HB2  ALA  23           2HB      ALA  23  -3.185  14.842   5.884
  177    HB3  ALA  23           3HB      ALA  23  -3.491  14.562   7.599
  178    H    GLU  24           H        GLU  24  -1.535  14.440   9.387
  179    HA   GLU  24           HA       GLU  24  -0.454  11.881  10.227
  180    HB2  GLU  24           2HB      GLU  24   0.347  14.095  11.133
  181    HB3  GLU  24           1HB      GLU  24  -1.204  14.250  11.945
  182    HG2  GLU  24           2HG      GLU  24  -0.760  12.265  13.246
  183    HG3  GLU  24           1HG      GLU  24   0.753  12.007  12.382
  184    H    GLY  25           H        GLY  25  -3.469  13.556  10.121
  185    HA2  GLY  25           2HA      GLY  25  -4.773  11.650  11.905
  186    HA3  GLY  25           1HA      GLY  25  -5.527  13.035  11.129
  187    H    TYR  26           H        TYR  26  -3.570  11.072   9.174
  188    HA   TYR  26           HA       TYR  26  -5.586  10.495   7.326
  189    HB2  TYR  26           2HB      TYR  26  -3.935   9.175   6.166
  190    HB3  TYR  26           1HB      TYR  26  -3.169  10.620   6.806
  191    HD1  TYR  26           1HD      TYR  26  -2.900   9.542   9.721
  192    HD2  TYR  26           2HD      TYR  26  -1.964   7.900   5.916
  193    HE1  TYR  26           1HE      TYR  26  -1.159   8.162  10.756
  194    HE2  TYR  26           2HE      TYR  26  -0.225   6.513   6.944
  195    HH   TYR  26           HH       TYR  26   0.028   6.009  10.243
  196    H    ALA  27           H        ALA  27  -4.642   8.828  10.191
  197    HA   ALA  27           HA       ALA  27  -5.508   6.222   9.489
  198    HB1  ALA  27           1HB      ALA  27  -5.283   7.476  12.224
  199    HB2  ALA  27           2HB      ALA  27  -3.983   6.659  11.356
  200    HB3  ALA  27           3HB      ALA  27  -5.403   5.750  11.874
  201    H    GLU  28           H        GLU  28  -7.172   9.076  10.123
  202    HA   GLU  28           HA       GLU  28  -9.665   7.597  10.639
  203    HB2  GLU  28           2HB      GLU  28  -9.014  10.466  11.343
  204    HB3  GLU  28           1HB      GLU  28 -10.506   9.616  11.723
  205    HG2  GLU  28           2HG      GLU  28  -9.318   8.106  13.186
  206    HG3  GLU  28           1HG      GLU  28  -7.784   8.858  12.753
  207    H    ASP  29           H        ASP  29  -8.049   8.691   8.175
  208    HA   ASP  29           HA       ASP  29  -9.991  10.465   6.974
  209    HB2  ASP  29           2HB      ASP  29  -7.688  10.910   6.449
  210    HB3  ASP  29           1HB      ASP  29  -7.443   9.250   5.907
  211    H    GLU  30           H        GLU  30 -11.671   9.846   5.851
  212    HA   GLU  30           HA       GLU  30 -12.412   7.147   5.798
  213    HB2  GLU  30           2HB      GLU  30 -13.947   9.172   5.829
  214    HB3  GLU  30           1HB      GLU  30 -13.652   9.303   4.099
  215    HG2  GLU  30           2HG      GLU  30 -14.422   6.881   3.954
  216    HG3  GLU  30           1HG      GLU  30 -15.024   7.102   5.594
  217    H    LEU  31           H        LEU  31 -10.915   9.208   3.377
  218    HA   LEU  31           HA       LEU  31 -11.393   7.587   1.137
  219    HB2  LEU  31           2HB      LEU  31  -9.603   9.802   1.899
  220    HB3  LEU  31           1HB      LEU  31  -9.004   8.773   0.615
  221    HG   LEU  31           HG       LEU  31 -11.695  10.156   0.569
  222   HD11  LEU  31          1HD1      LEU  31 -10.712  11.759  -0.945
  223   HD12  LEU  31          2HD1      LEU  31  -9.144  10.962  -0.817
  224   HD13  LEU  31          3HD1      LEU  31  -9.837  11.774   0.587
  225   HD21  LEU  31          3HD2      LEU  31 -11.727   9.577  -1.760
  226   HD22  LEU  31          1HD2      LEU  31 -11.470   8.115  -0.811
  227   HD23  LEU  31          2HD2      LEU  31 -10.116   8.871  -1.648
  228    H    LEU  32           H        LEU  32  -8.760   7.798   3.462
  229    HA   LEU  32           HA       LEU  32  -7.077   5.921   2.218
  230    HB2  LEU  32           2HB      LEU  32  -6.875   7.765   4.146
  231    HB3  LEU  32           1HB      LEU  32  -7.039   6.340   5.152
  232    HG   LEU  32           HG       LEU  32  -5.131   5.456   3.567
  233   HD11  LEU  32          1HD1      LEU  32  -3.557   7.239   2.997
  234   HD12  LEU  32          2HD1      LEU  32  -4.742   8.436   3.519
  235   HD13  LEU  32          3HD1      LEU  32  -5.084   7.403   2.132
  236   HD21  LEU  32          3HD2      LEU  32  -3.493   6.223   5.229
  237   HD22  LEU  32          1HD2      LEU  32  -4.962   5.592   5.972
  238   HD23  LEU  32          2HD2      LEU  32  -4.701   7.332   5.875
  239    H    LEU  33           H        LEU  33  -9.531   5.797   4.696
  240    HA   LEU  33           HA       LEU  33  -9.286   3.076   5.394
  241    HB2  LEU  33           2HB      LEU  33 -10.974   5.296   6.020
  242    HB3  LEU  33           1HB      LEU  33 -11.939   3.858   5.759
  243    HG   LEU  33           HG       LEU  33 -11.392   4.108   8.113
  244   HD11  LEU  33          1HD1      LEU  33  -9.853   1.836   6.875
  245   HD12  LEU  33          2HD1      LEU  33 -11.583   1.845   7.214
  246   HD13  LEU  33          3HD1      LEU  33 -10.424   1.923   8.540
  247   HD21  LEU  33          3HD2      LEU  33  -9.079   3.969   8.898
  248   HD22  LEU  33          1HD2      LEU  33  -9.344   5.394   7.894
  249   HD23  LEU  33          2HD2      LEU  33  -8.515   3.987   7.227
  250    H    ASN  34           H        ASN  34 -11.312   4.771   3.031
  251    HA   ASN  34           HA       ASN  34 -12.943   2.542   2.407
  252    HB2  ASN  34           2HB      ASN  34 -12.333   5.054   0.848
  253    HB3  ASN  34           1HB      ASN  34 -13.464   3.831   0.286
  254   HD21  ASN  34          1HD2      ASN  34 -14.005   6.574   0.881
  255   HD22  ASN  34          2HD2      ASN  34 -15.171   6.604   2.160
  256    H    GLN  35           H        GLN  35 -10.068   3.884   0.812
  257    HA   GLN  35           HA       GLN  35 -10.146   1.996  -1.328
  258    HB2  GLN  35           2HB      GLN  35  -7.999   3.828  -0.289
  259    HB3  GLN  35           1HB      GLN  35  -7.647   2.654  -1.546
  260    HG2  GLN  35           2HG      GLN  35  -8.071   4.578  -2.737
  261    HG3  GLN  35           1HG      GLN  35  -9.614   3.740  -2.802
  262   HE21  GLN  35          1HE2      GLN  35  -7.845   6.318  -1.247
  263   HE22  GLN  35          2HE2      GLN  35  -9.222   7.216  -0.775
  264    H    MET  36           H        MET  36  -8.265   2.184   1.688
  265    HA   MET  36           HA       MET  36  -6.882  -0.229   1.170
  266    HB2  MET  36           2HB      MET  36  -6.106   1.499   2.814
  267    HB3  MET  36           1HB      MET  36  -7.392   0.969   3.894
  268    HG2  MET  36           2HG      MET  36  -5.152  -0.029   4.365
  269    HG3  MET  36           1HG      MET  36  -6.442  -1.204   4.093
  270    HE1  MET  36           3HE      MET  36  -4.948  -3.107   3.737
  271    HE2  MET  36           1HE      MET  36  -3.359  -2.347   3.758
  272    HE3  MET  36           2HE      MET  36  -3.837  -3.348   2.390
  273    H    GLY  37           H        GLY  37  -9.778   0.571   3.041
  274    HA2  GLY  37           2HA      GLY  37 -10.358  -1.932   4.098
  275    HA3  GLY  37           1HA      GLY  37 -11.559  -0.722   3.680
  276    H    LYS  38           H        LYS  38 -11.002  -0.672   0.874
  277    HA   LYS  38           HA       LYS  38 -12.535  -2.803  -0.113
  278    HB2  LYS  38           2HB      LYS  38 -10.612  -0.907  -1.432
  279    HB3  LYS  38           1HB      LYS  38 -11.496  -2.119  -2.351
  280    HG2  LYS  38           2HG      LYS  38 -12.708   0.105  -0.717
  281    HG3  LYS  38           1HG      LYS  38 -12.595   0.040  -2.477
  282    HD2  LYS  38           2HD      LYS  38 -13.989  -1.992  -2.465
  283    HD3  LYS  38           1HD      LYS  38 -14.139  -1.859  -0.713
  284    HE2  LYS  38           2HE      LYS  38 -15.170   0.372  -1.020
  285    HE3  LYS  38           1HE      LYS  38 -15.109   0.125  -2.764
  286    HZ1  LYS  38           3HZ      LYS  38 -16.515  -1.836  -2.477
  287    HZ2  LYS  38           1HZ      LYS  38 -17.276  -0.435  -1.909
  288    HZ3  LYS  38           2HZ      LYS  38 -16.606  -1.538  -0.817
  289    H    VAL  39           H        VAL  39  -9.013  -2.287  -0.143
  290    HA   VAL  39           HA       VAL  39  -8.704  -5.130  -0.884
  291    HB   VAL  39           HB       VAL  39  -6.338  -4.512  -1.433
  292   HG11  VAL  39          1HG1      VAL  39  -8.498  -2.994  -2.896
  293   HG12  VAL  39          2HG1      VAL  39  -8.046  -4.677  -3.165
  294   HG13  VAL  39          3HG1      VAL  39  -6.901  -3.388  -3.536
  295   HG21  VAL  39          3HG2      VAL  39  -6.088  -2.533  -0.064
  296   HG22  VAL  39          1HG2      VAL  39  -7.364  -1.711  -0.964
  297   HG23  VAL  39          2HG2      VAL  39  -5.841  -2.110  -1.758
  298    H    ASN  40           H        ASN  40  -9.420  -4.758   1.727
  299    HA   ASN  40           HA       ASN  40  -6.899  -4.850   3.262
  300    HB2  ASN  40           2HB      ASN  40  -8.618  -2.911   3.556
  301    HB3  ASN  40           1HB      ASN  40  -9.543  -4.104   4.462
  302   HD21  ASN  40          1HD2      ASN  40  -7.220  -5.436   5.561
  303   HD22  ASN  40          2HD2      ASN  40  -6.583  -4.371   6.766
  304    H    ASP  41           H        ASP  41 -10.042  -6.298   2.774
  305    HA   ASP  41           HA       ASP  41  -9.863  -7.880   5.189
  306    HB2  ASP  41           2HB      ASP  41 -12.030  -6.977   4.454
  307    HB3  ASP  41           1HB      ASP  41 -11.918  -7.904   2.962
  308    H    THR  42           H        THR  42  -9.341  -8.245   1.785
  309    HA   THR  42           HA       THR  42  -8.362 -10.966   2.288
  310    HB   THR  42           HB       THR  42  -8.945 -11.309  -0.231
  311    HG1  THR  42           1HG      THR  42 -11.104 -10.061  -0.461
  312   HG21  THR  42          3HG2      THR  42 -11.169 -12.151   0.382
  313   HG22  THR  42          1HG2      THR  42 -11.090 -11.250   1.896
  314   HG23  THR  42          2HG2      THR  42  -9.959 -12.571   1.595
  315    HA   PRO  43           HA       PRO  43  -5.014  -8.557   0.207
  316    HB2  PRO  43           2HB      PRO  43  -3.351  -8.070   2.226
  317    HB3  PRO  43           1HB      PRO  43  -4.780  -7.061   1.974
  318    HG2  PRO  43           2HG      PRO  43  -4.308  -9.203   3.989
  319    HG3  PRO  43           1HG      PRO  43  -5.224  -7.698   4.140
  320    HD2  PRO  43           2HD      PRO  43  -6.282 -10.255   3.626
  321    HD3  PRO  43           1HD      PRO  43  -7.143  -8.713   3.483
  322    H    GLU  44           H        GLU  44  -5.547 -11.428   1.591
  323    HA   GLU  44           HA       GLU  44  -4.647 -13.485   1.369
  324    HB2  GLU  44           2HB      GLU  44  -3.778 -12.752  -0.816
  325    HB3  GLU  44           1HB      GLU  44  -2.340 -12.123  -0.028
  326    HG2  GLU  44           2HG      GLU  44  -1.879 -14.259  -1.052
  327    HG3  GLU  44           1HG      GLU  44  -1.755 -14.379   0.701
  328    H    GLU  45           H        GLU  45  -2.199 -11.068   2.236
  329    HA   GLU  45           HA       GLU  45  -0.642 -12.825   3.797
  330    HB2  GLU  45           2HB      GLU  45  -0.824  -9.812   3.955
  331    HB3  GLU  45           1HB      GLU  45   0.427 -10.794   4.701
  332    HG2  GLU  45           2HG      GLU  45  -0.052 -10.225   1.812
  333    HG3  GLU  45           1HG      GLU  45   1.416 -10.021   2.766
  334    H    GLU  46           H        GLU  46  -2.293 -10.011   5.193
  335    HA   GLU  46           HA       GLU  46  -2.981 -11.699   7.500
  336    HB2  GLU  46           2HB      GLU  46  -1.837  -8.905   7.601
  337    HB3  GLU  46           1HB      GLU  46  -2.297  -9.880   8.985
  338    HG2  GLU  46           2HG      GLU  46  -0.546 -11.472   8.490
  339    HG3  GLU  46           1HG      GLU  46  -0.131 -10.592   7.019
  340    H    GLY  47           H        GLY  47  -3.394  -8.305   6.575
  341    HA2  GLY  47           2HA      GLY  47  -5.786  -7.747   5.878
  342    HA3  GLY  47           1HA      GLY  47  -6.195  -8.496   7.408
  343    H    MET  48           H        MET  48  -5.818  -7.418   9.308
  344    HA   MET  48           HA       MET  48  -5.987  -4.630   9.168
  345    HB2  MET  48           2HB      MET  48  -7.003  -6.033  10.939
  346    HB3  MET  48           1HB      MET  48  -5.394  -6.276  11.609
  347    HG2  MET  48           2HG      MET  48  -5.475  -3.578  11.478
  348    HG3  MET  48           1HG      MET  48  -7.176  -3.945  11.760
  349    HE1  MET  48           3HE      MET  48  -3.863  -5.756  12.995
  350    HE2  MET  48           1HE      MET  48  -3.688  -4.997  14.579
  351    HE3  MET  48           2HE      MET  48  -3.554  -4.020  13.115
  352    HA   PRO  49           HA       PRO  49  -1.572  -4.387  10.975
  353    HB2  PRO  49           2HB      PRO  49  -0.132  -6.821  10.381
  354    HB3  PRO  49           1HB      PRO  49  -0.577  -6.188  11.968
  355    HG2  PRO  49           2HG      PRO  49  -1.628  -8.484  10.917
  356    HG3  PRO  49           1HG      PRO  49  -2.486  -7.459  12.081
  357    HD2  PRO  49           2HD      PRO  49  -2.735  -7.526   9.090
  358    HD3  PRO  49           1HD      PRO  49  -4.016  -7.505  10.289
  359    H    LEU  50           H        LEU  50  -2.114  -6.299   8.214
  360    HA   LEU  50           HA       LEU  50  -0.089  -5.619   6.452
  361    HB2  LEU  50           2HB      LEU  50  -1.934  -7.329   6.373
  362    HB3  LEU  50           1HB      LEU  50  -3.027  -6.050   5.913
  363    HG   LEU  50           HG       LEU  50  -2.357  -7.469   4.084
  364   HD11  LEU  50          1HD1      LEU  50  -1.324  -4.647   3.839
  365   HD12  LEU  50          2HD1      LEU  50  -2.986  -5.179   3.580
  366   HD13  LEU  50          3HD1      LEU  50  -1.708  -5.711   2.485
  367   HD21  LEU  50          3HD2      LEU  50   0.407  -6.349   4.399
  368   HD22  LEU  50          1HD2      LEU  50  -0.131  -7.542   3.224
  369   HD23  LEU  50          2HD2      LEU  50  -0.072  -7.957   4.939
  370    H    ARG  51           H        ARG  51  -3.246  -4.129   7.069
  371    HA   ARG  51           HA       ARG  51  -2.956  -1.853   5.467
  372    HB2  ARG  51           2HB      ARG  51  -5.103  -2.308   6.236
  373    HB3  ARG  51           1HB      ARG  51  -4.584  -2.503   7.903
  374    HG2  ARG  51           2HG      ARG  51  -3.964   0.064   7.574
  375    HG3  ARG  51           1HG      ARG  51  -5.255  -0.056   6.379
  376    HD2  ARG  51           2HD      ARG  51  -5.418  -0.707   9.315
  377    HD3  ARG  51           1HD      ARG  51  -6.200   0.632   8.477
  378    HE   ARG  51           HE       ARG  51  -7.173  -1.569   7.213
  379   HH11  ARG  51          1HH1      ARG  51  -7.027  -0.534  10.560
  380   HH12  ARG  51          2HH1      ARG  51  -8.459  -1.405  11.017
  381   HH21  ARG  51          1HH2      ARG  51  -9.051  -2.712   7.820
  382   HH22  ARG  51          2HH2      ARG  51  -9.608  -2.640   9.461
  383    H    ALA  52           H        ALA  52  -2.280  -2.338   8.900
  384    HA   ALA  52           HA       ALA  52  -1.544   0.264   9.502
  385    HB1  ALA  52           1HB      ALA  52  -0.501  -2.262  10.784
  386    HB2  ALA  52           2HB      ALA  52  -2.032  -1.479  11.178
  387    HB3  ALA  52           3HB      ALA  52  -0.507  -0.648  11.494
  388    H    TRP  53           H        TRP  53   0.560  -2.482   8.515
  389    HA   TRP  53           HA       TRP  53   2.893  -0.849   8.655
  390    HB2  TRP  53           2HB      TRP  53   4.145  -2.707   8.079
  391    HB3  TRP  53           1HB      TRP  53   2.730  -3.441   8.800
  392    HD1  TRP  53           HD       TRP  53   1.589  -5.291   7.455
  393    HE1  TRP  53           1HE      TRP  53   1.805  -6.220   5.058
  394    HE3  TRP  53           3HE      TRP  53   4.738  -1.777   5.476
  395    HZ2  TRP  53           2HZ      TRP  53   3.091  -5.546   2.668
  396    HZ3  TRP  53           3HZ      TRP  53   5.411  -2.002   3.125
  397    HH2  TRP  53           HH       TRP  53   4.609  -3.853   1.752
  398    H    VAL  54           H        VAL  54   0.700  -1.771   6.060
  399    HA   VAL  54           HA       VAL  54   2.397  -0.845   3.985
  400    HB   VAL  54           HB       VAL  54   0.326  -2.469   3.910
  401   HG11  VAL  54          1HG1      VAL  54  -1.645  -1.436   2.891
  402   HG12  VAL  54          2HG1      VAL  54  -0.942   0.156   3.174
  403   HG13  VAL  54          3HG1      VAL  54  -1.368  -0.874   4.539
  404   HG21  VAL  54          3HG2      VAL  54   1.059  -0.594   1.666
  405   HG22  VAL  54          1HG2      VAL  54   0.202  -2.125   1.478
  406   HG23  VAL  54          2HG2      VAL  54   1.861  -2.110   2.078
  407    H    ILE  55           H        ILE  55  -0.375   0.601   5.682
  408    HA   ILE  55           HA       ILE  55  -0.262   3.078   4.324
  409    HB   ILE  55           HB       ILE  55  -1.335   2.347   7.044
  410   HG12  ILE  55          2HG1      ILE  55  -2.683   2.848   4.387
  411   HG13  ILE  55          1HG1      ILE  55  -2.448   1.278   5.152
  412   HG21  ILE  55          1HG2      ILE  55  -2.587   4.471   6.935
  413   HG22  ILE  55          2HG2      ILE  55  -1.621   4.938   5.529
  414   HG23  ILE  55          3HG2      ILE  55  -0.846   4.689   7.096
  415   HD11  ILE  55          3HD1      ILE  55  -4.714   2.040   5.453
  416   HD12  ILE  55          1HD1      ILE  55  -4.141   3.537   6.188
  417   HD13  ILE  55          2HD1      ILE  55  -3.878   1.997   7.007
  418    H    LYS  56           H        LYS  56   1.267   1.924   7.304
  419    HA   LYS  56           HA       LYS  56   2.405   4.352   8.127
  420    HB2  LYS  56           2HB      LYS  56   2.249   2.404   9.583
  421    HB3  LYS  56           1HB      LYS  56   3.347   1.509   8.548
  422    HG2  LYS  56           2HG      LYS  56   4.399   2.335  10.612
  423    HG3  LYS  56           1HG      LYS  56   5.173   2.944   9.149
  424    HD2  LYS  56           2HD      LYS  56   4.194   5.081   9.410
  425    HD3  LYS  56           1HD      LYS  56   3.074   4.497  10.641
  426    HE2  LYS  56           2HE      LYS  56   5.039   5.840  11.479
  427    HE3  LYS  56           1HE      LYS  56   4.791   4.268  12.238
  428    HZ1  LYS  56           3HZ      LYS  56   6.709   4.749  10.014
  429    HZ2  LYS  56           1HZ      LYS  56   6.546   3.343  10.946
  430    HZ3  LYS  56           2HZ      LYS  56   7.129   4.761  11.656
  431    H    CYS  57           H        CYS  57   3.794   1.704   6.200
  432    HA   CYS  57           HA       CYS  57   6.298   2.928   5.791
  433    HB2  CYS  57           2HB      CYS  57   5.850   0.507   5.461
  434    HB3  CYS  57           1HB      CYS  57   4.905   0.899   4.028
  435    HG   CYS  57           HG       CYS  57   7.502   2.348   3.205
  436    H    ALA  58           H        ALA  58   3.302   2.961   3.900
  437    HA   ALA  58           HA       ALA  58   4.320   4.429   1.713
  438    HB1  ALA  58           1HB      ALA  58   1.990   4.875   1.152
  439    HB2  ALA  58           2HB      ALA  58   1.489   4.308   2.743
  440    HB3  ALA  58           3HB      ALA  58   2.220   3.184   1.597
  441    H    HIS  59           H        HIS  59   2.887   5.388   4.784
  442    HA   HIS  59           HA       HIS  59   2.547   8.116   4.318
  443    HB2  HIS  59           2HB      HIS  59   1.775   6.815   6.342
  444    HB3  HIS  59           1HB      HIS  59   3.427   6.885   6.939
  445    HD1  HIS  59           1HD      HIS  59   1.454   8.105   8.753
  446    HD2  HIS  59           2HD      HIS  59   3.135  10.254   5.626
  447    HE1  HIS  59           1HE      HIS  59   1.089  10.527   9.324
  448    HE2  HIS  59           2HE      HIS  59   2.239  11.812   7.494
  449    H    GLU  60           H        GLU  60   5.329   6.496   5.869
  450    HA   GLU  60           HA       GLU  60   6.833   8.907   5.940
  451    HB2  GLU  60           2HB      GLU  60   8.758   7.360   6.527
  452    HB3  GLU  60           1HB      GLU  60   7.377   7.370   7.611
  453    HG2  GLU  60           2HG      GLU  60   6.551   5.324   6.487
  454    HG3  GLU  60           1HG      GLU  60   8.049   5.284   5.554
  455    H    ALA  61           H        ALA  61   6.660   6.253   3.633
  456    HA   ALA  61           HA       ALA  61   8.911   6.960   2.087
  457    HB1  ALA  61           1HB      ALA  61   7.883   5.680   0.289
  458    HB2  ALA  61           2HB      ALA  61   6.339   5.690   1.140
  459    HB3  ALA  61           3HB      ALA  61   7.717   4.827   1.823
  460    H    LEU  62           H        LEU  62   5.520   7.954   1.910
  461    HA   LEU  62           HA       LEU  62   5.799   9.581  -0.386
  462    HB2  LEU  62           2HB      LEU  62   3.673   8.641   0.411
  463    HB3  LEU  62           1HB      LEU  62   3.740   9.671   1.824
  464    HG   LEU  62           HG       LEU  62   2.145  10.361  -0.006
  465   HD11  LEU  62          1HD1      LEU  62   2.811  11.935   1.712
  466   HD12  LEU  62          2HD1      LEU  62   2.650  12.744   0.154
  467   HD13  LEU  62          3HD1      LEU  62   4.252  12.362   0.787
  468   HD21  LEU  62          3HD2      LEU  62   3.076  11.552  -1.918
  469   HD22  LEU  62          1HD2      LEU  62   3.532   9.849  -1.913
  470   HD23  LEU  62          2HD2      LEU  62   4.701  11.077  -1.423
  471    H    GLU  63           H        GLU  63   5.781  10.347   3.089
  472    HA   GLU  63           HA       GLU  63   6.023  13.147   2.710
  473    HB2  GLU  63           2HB      GLU  63   6.425  11.320   5.060
  474    HB3  GLU  63           1HB      GLU  63   6.793  13.036   5.178
  475    HG2  GLU  63           2HG      GLU  63   4.127  12.017   4.252
  476    HG3  GLU  63           1HG      GLU  63   4.500  12.304   5.951
  477    H    LYS  64           H        LYS  64   8.385  10.574   2.868
  478    HA   LYS  64           HA       LYS  64  10.654  12.164   3.399
  479    HB2  LYS  64           2HB      LYS  64  10.671   9.701   3.531
  480    HB3  LYS  64           1HB      LYS  64  10.476   9.612   1.787
  481    HG2  LYS  64           2HG      LYS  64  12.790   9.218   2.495
  482    HG3  LYS  64           1HG      LYS  64  12.638  10.631   1.450
  483    HD2  LYS  64           2HD      LYS  64  14.148  11.070   3.323
  484    HD3  LYS  64           1HD      LYS  64  12.716  12.096   3.405
  485    HE2  LYS  64           2HE      LYS  64  11.729  10.561   5.050
  486    HE3  LYS  64           1HE      LYS  64  13.179   9.561   4.976
  487    HZ1  LYS  64           3HZ      LYS  64  13.208  11.048   6.879
  488    HZ2  LYS  64           1HZ      LYS  64  13.080  12.393   5.861
  489    HZ3  LYS  64           2HZ      LYS  64  14.465  11.423   5.810
  490    H    ASN  65           H        ASN  65   9.086  11.193   0.395
  491    HA   ASN  65           HA       ASN  65  10.333  13.491  -0.899
  492    HB2  ASN  65           2HB      ASN  65  10.588  12.081  -3.010
  493    HB3  ASN  65           1HB      ASN  65  11.743  11.790  -1.722
  494   HD21  ASN  65          1HD2      ASN  65   8.422  10.595  -2.066
  495   HD22  ASN  65          2HD2      ASN  65   8.851   8.917  -2.115
  496    HA   PRO  66           HA       PRO  66   5.750  13.245  -1.335
  497    HB2  PRO  66           2HB      PRO  66   5.214  15.803  -0.708
  498    HB3  PRO  66           1HB      PRO  66   5.572  14.598   0.528
  499    HG2  PRO  66           2HG      PRO  66   7.399  16.638  -0.699
  500    HG3  PRO  66           1HG      PRO  66   7.177  16.226   1.012
  501    HD2  PRO  66           2HD      PRO  66   9.223  15.246  -0.467
  502    HD3  PRO  66           1HD      PRO  66   8.477  14.331   0.855
  503    H    LYS  67           H        LYS  67   7.624  13.493  -3.454
  504    HA   LYS  67           HA       LYS  67   6.156  15.257  -5.290
  505    HB2  LYS  67           2HB      LYS  67   9.145  14.763  -5.265
  506    HB3  LYS  67           1HB      LYS  67   8.277  15.750  -6.436
  507    HG2  LYS  67           2HG      LYS  67   8.572  16.320  -3.492
  508    HG3  LYS  67           1HG      LYS  67   9.417  17.133  -4.808
  509    HD2  LYS  67           2HD      LYS  67   7.297  17.979  -5.663
  510    HD3  LYS  67           1HD      LYS  67   6.431  17.132  -4.381
  511    HE2  LYS  67           2HE      LYS  67   6.663  19.444  -3.766
  512    HE3  LYS  67           1HE      LYS  67   7.688  18.466  -2.715
  513    HZ1  LYS  67           3HZ      LYS  67   9.588  19.061  -4.096
  514    HZ2  LYS  67           1HZ      LYS  67   8.845  20.438  -3.455
  515    HZ3  LYS  67           2HZ      LYS  67   8.599  20.021  -5.072
  516    H    ILE  68           H        ILE  68   6.129  12.343  -4.539
  517    HA   ILE  68           HA       ILE  68   7.061  11.142  -7.041
  518    HB   ILE  68           HB       ILE  68   6.674   8.956  -5.948
  519   HG12  ILE  68          2HG1      ILE  68   6.237  10.566  -3.416
  520   HG13  ILE  68          1HG1      ILE  68   4.962   9.747  -4.314
  521   HG21  ILE  68          1HG2      ILE  68   8.877   9.896  -5.980
  522   HG22  ILE  68          2HG2      ILE  68   8.610   9.093  -4.433
  523   HG23  ILE  68          3HG2      ILE  68   8.533  10.851  -4.540
  524   HD11  ILE  68          3HD1      ILE  68   5.661   8.441  -2.400
  525   HD12  ILE  68          1HD1      ILE  68   7.321   8.429  -2.994
  526   HD13  ILE  68          2HD1      ILE  68   6.054   7.603  -3.900
  527    H    ARG  69           H        ARG  69   5.563   9.001  -7.314
  528    HA   ARG  69           HA       ARG  69   2.859  10.082  -7.785
  529    HB2  ARG  69           2HB      ARG  69   3.990   9.863  -9.897
  530    HB3  ARG  69           1HB      ARG  69   4.550   8.251  -9.481
  531    HG2  ARG  69           2HG      ARG  69   2.212   7.464  -9.503
  532    HG3  ARG  69           1HG      ARG  69   1.709   9.073 -10.028
  533    HD2  ARG  69           2HD      ARG  69   2.889   8.869 -12.072
  534    HD3  ARG  69           1HD      ARG  69   3.735   7.425 -11.522
  535    HE   ARG  69           HE       ARG  69   1.378   6.419 -11.476
  536   HH11  ARG  69          1HH1      ARG  69   2.510   8.805 -13.785
  537   HH12  ARG  69          2HH1      ARG  69   1.405   8.319 -15.026
  538   HH21  ARG  69          1HH2      ARG  69  -0.063   5.763 -13.125
  539   HH22  ARG  69          2HH2      ARG  69  -0.049   6.576 -14.655
  540    H    GLU  70           H        GLU  70   4.746   7.116  -7.344
  541    HA   GLU  70           HA       GLU  70   2.801   5.990  -5.594
  542    HB2  GLU  70           2HB      GLU  70   2.309   4.027  -7.085
  543    HB3  GLU  70           1HB      GLU  70   1.592   5.551  -7.597
  544    HG2  GLU  70           2HG      GLU  70   3.523   5.815  -9.174
  545    HG3  GLU  70           1HG      GLU  70   3.985   4.162  -8.767
  546    H    VAL  71           H        VAL  71   3.430   3.774  -4.925
  547    HA   VAL  71           HA       VAL  71   6.305   3.273  -5.280
  548    HB   VAL  71           HB       VAL  71   5.860   4.524  -3.156
  549   HG11  VAL  71          1HG1      VAL  71   4.808   3.336  -1.282
  550   HG12  VAL  71          2HG1      VAL  71   4.331   2.054  -2.393
  551   HG13  VAL  71          3HG1      VAL  71   3.685   3.683  -2.596
  552   HG21  VAL  71          3HG2      VAL  71   6.921   1.722  -2.859
  553   HG22  VAL  71          1HG2      VAL  71   7.139   3.013  -1.677
  554   HG23  VAL  71          2HG2      VAL  71   7.837   3.166  -3.289
  555    H    TYR  72           H        TYR  72   6.906   1.079  -5.090
  556    HA   TYR  72           HA       TYR  72   4.636  -0.778  -4.951
  557    HB2  TYR  72           2HB      TYR  72   6.334  -2.399  -6.076
  558    HB3  TYR  72           1HB      TYR  72   5.512  -1.194  -7.053
  559    HD1  TYR  72           2HD      TYR  72   8.733  -2.101  -5.488
  560    HD2  TYR  72           1HD      TYR  72   6.723   0.532  -8.160
  561    HE1  TYR  72           2HE      TYR  72  10.901  -1.301  -6.326
  562    HE2  TYR  72           1HE      TYR  72   8.885   1.334  -9.007
  563    HH   TYR  72           HH       TYR  72  11.197   1.471  -8.314
  564    H    LEU  73           H        LEU  73   4.470  -1.931  -3.232
  565    HA   LEU  73           HA       LEU  73   6.772  -2.088  -1.418
  566    HB2  LEU  73           2HB      LEU  73   3.862  -1.714  -1.046
  567    HB3  LEU  73           1HB      LEU  73   4.682  -2.691   0.154
  568    HG   LEU  73           HG       LEU  73   5.440   0.135  -0.580
  569   HD11  LEU  73          1HD1      LEU  73   4.538   0.705   1.628
  570   HD12  LEU  73          2HD1      LEU  73   3.988  -0.960   1.830
  571   HD13  LEU  73          3HD1      LEU  73   3.291   0.051   0.563
  572   HD21  LEU  73          3HD2      LEU  73   6.787  -0.107   1.549
  573   HD22  LEU  73          1HD2      LEU  73   7.376  -1.014   0.154
  574   HD23  LEU  73          2HD2      LEU  73   6.488  -1.843   1.431
  575    H    LYS  74           H        LYS  74   7.358  -3.977  -0.476
  576    HA   LYS  74           HA       LYS  74   5.887  -6.382  -1.309
  577    HB2  LYS  74           2HB      LYS  74   8.119  -6.082  -2.408
  578    HB3  LYS  74           1HB      LYS  74   8.864  -6.155  -0.821
  579    HG2  LYS  74           2HG      LYS  74   7.119  -8.407  -1.667
  580    HG3  LYS  74           1HG      LYS  74   8.727  -8.264  -2.376
  581    HD2  LYS  74           2HD      LYS  74   9.660  -8.162  -0.070
  582    HD3  LYS  74           1HD      LYS  74   8.037  -8.479   0.545
  583    HE2  LYS  74           2HE      LYS  74   7.963 -10.605  -0.398
  584    HE3  LYS  74           1HE      LYS  74   9.361 -10.292  -1.431
  585    HZ1  LYS  74           3HZ      LYS  74  10.015 -11.666   0.411
  586    HZ2  LYS  74           1HZ      LYS  74   9.392 -10.552   1.526
  587    HZ3  LYS  74           2HZ      LYS  74  10.732 -10.146   0.580
  588    HA   PRO  75           HA       PRO  75   5.030  -6.505   3.018
  589    HB2  PRO  75           2HB      PRO  75   4.063  -9.072   3.091
  590    HB3  PRO  75           1HB      PRO  75   3.130  -7.674   2.547
  591    HG2  PRO  75           2HG      PRO  75   4.629  -9.691   0.933
  592    HG3  PRO  75           1HG      PRO  75   3.018  -9.010   0.646
  593    HD2  PRO  75           2HD      PRO  75   5.144  -8.123  -0.716
  594    HD3  PRO  75           1HD      PRO  75   3.876  -7.012  -0.171
  595    H    ARG  76           H        ARG  76   5.491  -7.705   4.923
  596    HA   ARG  76           HA       ARG  76   8.251  -8.276   5.129
  597    HB2  ARG  76           2HB      ARG  76   6.190  -8.987   7.201
  598    HB3  ARG  76           1HB      ARG  76   7.861  -8.502   7.451
  599    HG2  ARG  76           2HG      ARG  76   7.365  -6.241   6.808
  600    HG3  ARG  76           1HG      ARG  76   5.719  -6.686   6.362
  601    HD2  ARG  76           2HD      ARG  76   5.578  -5.663   8.486
  602    HD3  ARG  76           1HD      ARG  76   5.384  -7.393   8.753
  603    HE   ARG  76           HE       ARG  76   8.077  -6.363   9.050
  604   HH11  ARG  76          1HH1      ARG  76   5.093  -7.305  10.628
  605   HH12  ARG  76          2HH1      ARG  76   5.813  -7.375  12.207
  606   HH21  ARG  76          1HH2      ARG  76   9.017  -6.473  11.118
  607   HH22  ARG  76          2HH2      ARG  76   8.040  -6.908  12.485
  608    H    ALA  77           H        ALA  77   5.532 -10.207   4.426
  609    HA   ALA  77           HA       ALA  77   6.560 -12.712   5.311
  610    HB1  ALA  77           1HB      ALA  77   4.454 -12.141   3.226
  611    HB2  ALA  77           2HB      ALA  77   4.159 -12.318   4.956
  612    HB3  ALA  77           3HB      ALA  77   4.749 -13.689   4.016
  613    H    VAL  78           H        VAL  78   8.646 -12.834   4.553
  614    HA   VAL  78           HA       VAL  78   9.486 -12.425   1.894
  615    HB   VAL  78           HB       VAL  78  10.758 -14.271   3.924
  616   HG11  VAL  78          1HG1      VAL  78  11.947 -12.761   1.601
  617   HG12  VAL  78          2HG1      VAL  78  11.673 -14.500   1.681
  618   HG13  VAL  78          3HG1      VAL  78  12.843 -13.740   2.759
  619   HG21  VAL  78          3HG2      VAL  78  11.153 -11.303   3.555
  620   HG22  VAL  78          1HG2      VAL  78  12.086 -12.340   4.636
  621   HG23  VAL  78          2HG2      VAL  78  10.365 -12.085   4.925
  622    H    LYS  79           H        LYS  79   7.833 -15.003   3.396
  623    HA   LYS  79           HA       LYS  79   8.612 -17.247   1.962
  624    HB2  LYS  79           2HB      LYS  79   5.879 -16.537   3.036
  625    HB3  LYS  79           1HB      LYS  79   6.382 -18.146   2.542
  626    HG2  LYS  79           2HG      LYS  79   7.938 -18.300   4.327
  627    HG3  LYS  79           1HG      LYS  79   7.745 -16.590   4.720
  628    HD2  LYS  79           2HD      LYS  79   5.469 -16.958   5.418
  629    HD3  LYS  79           1HD      LYS  79   5.541 -18.638   4.886
  630    HE2  LYS  79           2HE      LYS  79   7.282 -17.460   7.042
  631    HE3  LYS  79           1HE      LYS  79   5.781 -18.331   7.347
  632    HZ1  LYS  79           3HZ      LYS  79   7.731 -19.754   7.570
  633    HZ2  LYS  79           1HZ      LYS  79   8.154 -19.452   5.963
  634    HZ3  LYS  79           2HZ      LYS  79   6.726 -20.283   6.319
  635    H    ASN  80           H        ASN  80   6.512 -14.622   0.972
  636    HA   ASN  80           HA       ASN  80   5.046 -16.125  -0.961
  637    HB2  ASN  80           2HB      ASN  80   5.353 -13.141  -0.834
  638    HB3  ASN  80           1HB      ASN  80   4.068 -14.049  -1.623
  639   HD21  ASN  80          1HD2      ASN  80   4.043 -12.022   0.450
  640   HD22  ASN  80          2HD2      ASN  80   3.147 -12.714   1.746
  641    H    SER  81           H        SER  81   7.797 -13.938  -1.108
  642    HA   SER  81           HA       SER  81   9.370 -13.555  -2.680
  643    HB2  SER  81           2HB      SER  81   9.439 -15.982  -3.023
  644    HB3  SER  81           1HB      SER  81   8.113 -15.864  -4.177
  645    HG   SER  81           HG       SER  81   9.613 -15.567  -5.599
  646    H    SER  82           H        SER  82   6.380 -14.388  -4.506
  647    HA   SER  82           HA       SER  82   6.928 -12.013  -6.153
  648    HB2  SER  82           2HB      SER  82   5.408 -14.532  -6.848
  649    HB3  SER  82           1HB      SER  82   5.647 -13.159  -7.929
  650    HG   SER  82           HG       SER  82   7.460 -15.101  -7.072
  651    H    VAL  83           H        VAL  83   5.538 -11.496  -3.774
  652    HA   VAL  83           HA       VAL  83   3.015 -10.615  -5.011
  653    HB   VAL  83           HB       VAL  83   2.656 -12.243  -3.117
  654   HG11  VAL  83          1HG1      VAL  83   4.502 -11.515  -1.695
  655   HG12  VAL  83          2HG1      VAL  83   2.961 -11.457  -0.840
  656   HG13  VAL  83          3HG1      VAL  83   3.693  -9.968  -1.439
  657   HG21  VAL  83          3HG2      VAL  83   0.886 -10.921  -2.055
  658   HG22  VAL  83          1HG2      VAL  83   0.909 -10.697  -3.805
  659   HG23  VAL  83          2HG2      VAL  83   1.574  -9.453  -2.747
  660    H    GLN  84           H        GLN  84   2.551  -8.471  -4.887
  661    HA   GLN  84           HA       GLN  84   4.251  -6.774  -3.207
  662    HB2  GLN  84           2HB      GLN  84   3.768  -6.355  -6.163
  663    HB3  GLN  84           1HB      GLN  84   4.459  -5.146  -5.094
  664    HG2  GLN  84           2HG      GLN  84   6.320  -6.720  -4.613
  665    HG3  GLN  84           1HG      GLN  84   5.647  -7.811  -5.825
  666   HE21  GLN  84          1HE2      GLN  84   5.725  -7.226  -7.999
  667   HE22  GLN  84          2HE2      GLN  84   6.770  -5.976  -8.576
  668    H    PHE  85           H        PHE  85   3.323  -4.839  -2.593
  669    HA   PHE  85           HA       PHE  85   0.495  -4.495  -3.302
  670    HB2  PHE  85           2HB      PHE  85   2.043  -3.550  -0.884
  671    HB3  PHE  85           1HB      PHE  85   0.425  -2.976  -1.286
  672    HD1  PHE  85           1HD      PHE  85  -1.485  -4.511  -1.218
  673    HD2  PHE  85           2HD      PHE  85   2.392  -5.715   0.047
  674    HE1  PHE  85           1HE      PHE  85  -2.468  -6.456  -0.078
  675    HE2  PHE  85           2HE      PHE  85   1.416  -7.662   1.192
  676    HZ   PHE  85           HZ       PHE  85  -1.015  -8.035   1.128
  677    H    HIS  86           H        HIS  86   0.059  -2.973  -4.648
  678    HA   HIS  86           HA       HIS  86   2.189  -1.126  -5.428
  679    HB2  HIS  86           2HB      HIS  86   1.072  -2.648  -7.099
  680    HB3  HIS  86           1HB      HIS  86  -0.424  -1.777  -6.816
  681    HD1  HIS  86           1HD      HIS  86  -0.279  -1.338  -9.441
  682    HD2  HIS  86           2HD      HIS  86   2.601   0.567  -7.125
  683    HE1  HIS  86           1HE      HIS  86   0.702   0.437 -10.913
  684    HE2  HIS  86           2HE      HIS  86   2.276   1.717  -9.429
  685    H    VAL  87           H        VAL  87   2.085   0.672  -4.174
  686    HA   VAL  87           HA       VAL  87  -0.560   1.711  -3.459
  687    HB   VAL  87           HB       VAL  87   2.188   2.325  -2.366
  688   HG11  VAL  87          1HG1      VAL  87   0.869   4.370  -2.397
  689   HG12  VAL  87          2HG1      VAL  87   1.067   3.781  -0.747
  690   HG13  VAL  87          3HG1      VAL  87  -0.462   3.539  -1.592
  691   HG21  VAL  87          3HG2      VAL  87  -0.236   1.054  -1.102
  692   HG22  VAL  87          1HG2      VAL  87   1.300   1.374  -0.298
  693   HG23  VAL  87          2HG2      VAL  87   1.223   0.209  -1.620
  694    H    ILE  88           H        ILE  88  -1.367   3.160  -4.783
  695    HA   ILE  88           HA       ILE  88   0.457   4.934  -6.238
  696    HB   ILE  88           HB       ILE  88  -2.470   4.347  -6.739
  697   HG12  ILE  88          2HG1      ILE  88  -1.363   3.531  -8.981
  698   HG13  ILE  88          1HG1      ILE  88   0.074   3.364  -7.975
  699   HG21  ILE  88          1HG2      ILE  88  -2.227   5.667  -8.775
  700   HG22  ILE  88          2HG2      ILE  88  -0.572   6.070  -8.321
  701   HG23  ILE  88          3HG2      ILE  88  -1.919   6.639  -7.337
  702   HD11  ILE  88          3HD1      ILE  88  -1.110   1.266  -8.140
  703   HD12  ILE  88          1HD1      ILE  88  -2.580   2.022  -7.524
  704   HD13  ILE  88          2HD1      ILE  88  -1.163   1.872  -6.484
  705    H    PHE  89           H        PHE  89   0.342   7.143  -6.003
  706    HA   PHE  89           HA       PHE  89  -1.319   8.021  -3.761
  707    HB2  PHE  89           2HB      PHE  89   1.129   9.286  -4.990
  708    HB3  PHE  89           1HB      PHE  89   0.194   9.968  -3.661
  709    HD1  PHE  89           1HD      PHE  89  -0.259   8.370  -1.683
  710    HD2  PHE  89           2HD      PHE  89   2.920   7.910  -4.466
  711    HE1  PHE  89           1HE      PHE  89   0.927   6.941  -0.085
  712    HE2  PHE  89           2HE      PHE  89   4.118   6.485  -2.860
  713    HZ   PHE  89           HZ       PHE  89   3.094   6.001  -0.681
  714    H    ASP  90           H        ASP  90  -3.184   8.873  -4.374
  715    HA   ASP  90           HA       ASP  90  -3.597   9.864  -7.032
  716    HB2  ASP  90           2HB      ASP  90  -5.389   9.715  -4.605
  717    HB3  ASP  90           1HB      ASP  90  -5.913  10.363  -6.150
  718    H    GLU  91           H        GLU  91  -2.999  11.812  -7.618
  719    HA   GLU  91           HA       GLU  91  -2.802  13.963  -5.690
  720    HB2  GLU  91           2HB      GLU  91  -1.050  13.677  -7.392
  721    HB3  GLU  91           1HB      GLU  91  -2.245  13.893  -8.660
  722    HG2  GLU  91           2HG      GLU  91  -2.616  16.169  -7.986
  723    HG3  GLU  91           1HG      GLU  91  -1.532  15.967  -6.611
  724    H    GLU  92           H        GLU  92  -4.371  15.389  -5.346
  725    HA   GLU  92           HA       GLU  92  -6.693  15.298  -7.152
  726    HB2  GLU  92           2HB      GLU  92  -6.633  15.786  -4.172
  727    HB3  GLU  92           1HB      GLU  92  -8.075  15.753  -5.174
  728    HG2  GLU  92           2HG      GLU  92  -7.761  13.419  -5.641
  729    HG3  GLU  92           1HG      GLU  92  -6.209  13.422  -4.803
  Start of MODEL   15
    1    H1   GLY   1           1HT      GLY   1  -5.669 -14.373  -2.775
    2    H2   GLY   1           2HT      GLY   1  -5.912 -16.041  -2.862
    3    H3   GLY   1           3HT      GLY   1  -4.913 -15.278  -3.987
    4    HA2  GLY   1           1HA      GLY   1  -3.344 -14.702  -2.248
    5    HA3  GLY   1           2HA      GLY   1  -4.387 -15.498  -1.078
    6    H    SER   2           H        SER   2  -1.660 -16.101  -1.646
    7    HA   SER   2           HA       SER   2  -0.232 -17.786  -2.076
    8    HB2  SER   2           2HB      SER   2  -1.052 -20.092  -1.492
    9    HB3  SER   2           1HB      SER   2  -1.317 -18.877  -0.246
   10    HG   SER   2           HG       SER   2  -3.410 -19.110  -2.002
   11    H    ALA   3           H        ALA   3  -0.709 -16.807  -4.338
   12    HA   ALA   3           HA       ALA   3  -1.714 -18.872  -6.160
   13    HB1  ALA   3           1HB      ALA   3  -2.608 -16.600  -6.430
   14    HB2  ALA   3           2HB      ALA   3  -1.725 -17.133  -7.859
   15    HB3  ALA   3           3HB      ALA   3  -0.978 -16.003  -6.732
   16    H    MET   4           H        MET   4   1.025 -18.400  -4.675
   17    HA   MET   4           HA       MET   4   3.105 -18.103  -6.442
   18    HB2  MET   4           2HB      MET   4   3.406 -18.369  -4.024
   19    HB3  MET   4           1HB      MET   4   2.916 -20.053  -4.134
   20    HG2  MET   4           2HG      MET   4   4.872 -20.470  -5.599
   21    HG3  MET   4           1HG      MET   4   5.386 -18.809  -5.315
   22    HE1  MET   4           3HE      MET   4   4.579 -18.429  -2.220
   23    HE2  MET   4           1HE      MET   4   6.091 -17.869  -2.935
   24    HE3  MET   4           2HE      MET   4   6.118 -18.837  -1.462
   25    H    GLY   5           H        GLY   5   3.782 -19.175  -8.182
   26    HA2  GLY   5           2HA      GLY   5   4.298 -21.118  -9.435
   27    HA3  GLY   5           1HA      GLY   5   3.128 -22.014  -8.477
   28    H    HIS   6           H        HIS   6   0.880 -20.510  -8.676
   29    HA   HIS   6           HA       HIS   6  -0.028 -21.113 -11.323
   30    HB2  HIS   6           2HB      HIS   6  -1.450 -19.449  -9.229
   31    HB3  HIS   6           1HB      HIS   6  -2.179 -20.253 -10.611
   32    HD1  HIS   6           1HD      HIS   6  -3.087 -20.722  -7.665
   33    HD2  HIS   6           2HD      HIS   6  -0.464 -23.161  -9.777
   34    HE1  HIS   6           1HE      HIS   6  -3.190 -22.968  -6.539
   35    HE2  HIS   6           2HE      HIS   6  -1.519 -24.395  -7.770
   36    H    MET   7           H        MET   7   0.632 -18.204  -9.479
   37    HA   MET   7           HA       MET   7   0.946 -16.709 -11.997
   38    HB2  MET   7           2HB      MET   7  -0.228 -15.768  -9.370
   39    HB3  MET   7           1HB      MET   7   0.275 -14.674 -10.650
   40    HG2  MET   7           2HG      MET   7  -1.831 -16.803 -10.926
   41    HG3  MET   7           1HG      MET   7  -2.145 -15.093 -10.630
   42    HE1  MET   7           3HE      MET   7  -3.730 -14.930 -12.733
   43    HE2  MET   7           1HE      MET   7  -3.487 -16.652 -13.029
   44    HE3  MET   7           2HE      MET   7  -3.283 -15.494 -14.343
   45    HA   PRO   8           HA       PRO   8   5.176 -16.608 -10.425
   46    HB2  PRO   8           2HB      PRO   8   5.220 -14.488 -12.531
   47    HB3  PRO   8           1HB      PRO   8   6.358 -15.809 -12.244
   48    HG2  PRO   8           2HG      PRO   8   4.598 -15.954 -14.231
   49    HG3  PRO   8           1HG      PRO   8   4.988 -17.384 -13.259
   50    HD2  PRO   8           2HD      PRO   8   2.557 -15.660 -13.204
   51    HD3  PRO   8           1HD      PRO   8   2.711 -17.406 -12.931
   52    H    ALA   9           H        ALA   9   3.546 -13.581 -11.387
   53    HA   ALA   9           HA       ALA   9   4.136 -12.557  -8.698
   54    HB1  ALA   9           1HB      ALA   9   5.587 -11.428 -10.296
   55    HB2  ALA   9           2HB      ALA   9   4.411 -10.315  -9.599
   56    HB3  ALA   9           3HB      ALA   9   4.179 -10.931 -11.235
   57    H    VAL  10           H        VAL  10   2.506 -11.509  -7.664
   58    HA   VAL  10           HA       VAL  10  -0.032 -11.163  -9.131
   59    HB   VAL  10           HB       VAL  10   0.306 -11.747  -6.176
   60   HG11  VAL  10          1HG1      VAL  10  -2.136 -11.991  -6.170
   61   HG12  VAL  10          2HG1      VAL  10  -2.183 -11.504  -7.865
   62   HG13  VAL  10          3HG1      VAL  10  -1.638 -10.363  -6.635
   63   HG21  VAL  10          3HG2      VAL  10   0.828 -13.715  -7.508
   64   HG22  VAL  10          1HG2      VAL  10  -0.692 -13.540  -8.388
   65   HG23  VAL  10          2HG2      VAL  10  -0.707 -13.923  -6.665
   66    H    ASP  11           H        ASP  11  -0.525  -9.066  -9.362
   67    HA   ASP  11           HA       ASP  11   0.809  -7.161  -7.573
   68    HB2  ASP  11           2HB      ASP  11  -0.257  -6.810 -10.377
   69    HB3  ASP  11           1HB      ASP  11   0.356  -5.489  -9.391
   70    H    VAL  12           H        VAL  12  -0.357  -6.284  -6.076
   71    HA   VAL  12           HA       VAL  12  -3.212  -5.717  -6.583
   72    HB   VAL  12           HB       VAL  12  -1.927  -6.207  -3.887
   73   HG11  VAL  12          1HG1      VAL  12  -3.926  -4.789  -3.845
   74   HG12  VAL  12          2HG1      VAL  12  -4.202  -6.342  -3.054
   75   HG13  VAL  12          3HG1      VAL  12  -4.829  -6.056  -4.677
   76   HG21  VAL  12          3HG2      VAL  12  -3.074  -8.379  -3.885
   77   HG22  VAL  12          1HG2      VAL  12  -1.868  -8.267  -5.168
   78   HG23  VAL  12          2HG2      VAL  12  -3.581  -8.098  -5.551
   79    H    GLU  13           H        GLU  13  -3.917  -3.595  -6.026
   80    HA   GLU  13           HA       GLU  13  -1.680  -1.786  -5.431
   81    HB2  GLU  13           2HB      GLU  13  -2.675  -0.151  -7.007
   82    HB3  GLU  13           1HB      GLU  13  -2.104  -1.620  -7.782
   83    HG2  GLU  13           2HG      GLU  13  -4.465  -2.445  -7.760
   84    HG3  GLU  13           1HG      GLU  13  -4.946  -0.842  -7.201
   85    H    ILE  14           H        ILE  14  -1.963  -0.339  -3.923
   86    HA   ILE  14           HA       ILE  14  -4.663   0.042  -2.806
   87    HB   ILE  14           HB       ILE  14  -2.122   0.874  -1.412
   88   HG12  ILE  14          2HG1      ILE  14  -3.437  -1.844  -1.146
   89   HG13  ILE  14          1HG1      ILE  14  -1.939  -1.557  -2.021
   90   HG21  ILE  14          1HG2      ILE  14  -4.234   1.721  -0.569
   91   HG22  ILE  14          2HG2      ILE  14  -3.520   0.591   0.581
   92   HG23  ILE  14          3HG2      ILE  14  -4.863   0.079  -0.441
   93   HD11  ILE  14          3HD1      ILE  14  -0.896  -0.794   0.082
   94   HD12  ILE  14          1HD1      ILE  14  -1.468  -2.459   0.167
   95   HD13  ILE  14          2HD1      ILE  14  -2.396  -1.171   0.935
   96    H    HIS  15           H        HIS  15  -5.514   2.104  -2.768
   97    HA   HIS  15           HA       HIS  15  -3.844   4.162  -4.039
   98    HB2  HIS  15           2HB      HIS  15  -6.831   3.776  -4.063
   99    HB3  HIS  15           1HB      HIS  15  -6.057   5.267  -4.589
  100    HD1  HIS  15           1HD      HIS  15  -7.068   1.989  -5.771
  101    HD2  HIS  15           2HD      HIS  15  -4.222   4.830  -6.840
  102    HE1  HIS  15           1HE      HIS  15  -6.361   1.391  -8.106
  103    HE2  HIS  15           2HE      HIS  15  -4.769   3.217  -8.789
  104    H    PHE  16           H        PHE  16  -3.305   5.877  -2.964
  105    HA   PHE  16           HA       PHE  16  -4.867   6.638  -0.592
  106    HB2  PHE  16           2HB      PHE  16  -1.855   6.605  -0.890
  107    HB3  PHE  16           1HB      PHE  16  -2.703   7.367   0.441
  108    HD1  PHE  16           2HD      PHE  16  -4.781   5.361   1.043
  109    HD2  PHE  16           1HD      PHE  16  -0.669   4.888   0.079
  110    HE1  PHE  16           2HE      PHE  16  -4.740   3.241   2.282
  111    HE2  PHE  16           1HE      PHE  16  -0.619   2.765   1.318
  112    HZ   PHE  16           HZ       PHE  16  -2.656   1.938   2.420
  113    HA   PRO  17           HA       PRO  17  -4.956  10.443  -2.942
  114    HB2  PRO  17           2HB      PRO  17  -6.095  11.619  -0.499
  115    HB3  PRO  17           1HB      PRO  17  -6.794  11.501  -2.112
  116    HG2  PRO  17           2HG      PRO  17  -7.714  10.004  -0.088
  117    HG3  PRO  17           1HG      PRO  17  -7.625   9.372  -1.740
  118    HD2  PRO  17           2HD      PRO  17  -5.751   8.933   0.560
  119    HD3  PRO  17           1HD      PRO  17  -6.400   7.749  -0.602
  120    H    LEU  18           H        LEU  18  -3.307  11.724  -3.211
  121    HA   LEU  18           HA       LEU  18  -0.948  11.501  -1.923
  122    HB2  LEU  18           2HB      LEU  18  -1.275  12.499  -4.128
  123    HB3  LEU  18           1HB      LEU  18  -1.964  13.931  -3.390
  124    HG   LEU  18           HG       LEU  18   0.283  14.254  -2.240
  125   HD11  LEU  18          1HD1      LEU  18   1.130  11.983  -2.585
  126   HD12  LEU  18          2HD1      LEU  18   2.205  13.197  -3.278
  127   HD13  LEU  18          3HD1      LEU  18   1.143  12.260  -4.329
  128   HD21  LEU  18          3HD2      LEU  18   0.136  14.406  -5.247
  129   HD22  LEU  18          1HD2      LEU  18   1.274  15.287  -4.228
  130   HD23  LEU  18          2HD2      LEU  18  -0.456  15.620  -4.114
  131    H    LYS  19           H        LYS  19  -3.359  13.989  -1.206
  132    HA   LYS  19           HA       LYS  19  -1.556  15.497   0.419
  133    HB2  LYS  19           2HB      LYS  19  -4.541  15.707   0.064
  134    HB3  LYS  19           1HB      LYS  19  -3.538  16.889   0.893
  135    HG2  LYS  19           2HG      LYS  19  -2.404  17.464  -1.108
  136    HG3  LYS  19           1HG      LYS  19  -3.115  16.102  -1.975
  137    HD2  LYS  19           2HD      LYS  19  -4.641  18.466  -0.878
  138    HD3  LYS  19           1HD      LYS  19  -4.176  18.228  -2.561
  139    HE2  LYS  19           2HE      LYS  19  -5.460  16.163  -2.606
  140    HE3  LYS  19           1HE      LYS  19  -6.023  16.481  -0.968
  141    HZ1  LYS  19           3HZ      LYS  19  -6.514  18.145  -3.377
  142    HZ2  LYS  19           1HZ      LYS  19  -6.985  18.568  -1.807
  143    HZ3  LYS  19           2HZ      LYS  19  -7.658  17.210  -2.549
  144    H    ARG  20           H        ARG  20  -4.155  13.188   1.116
  145    HA   ARG  20           HA       ARG  20  -3.997  13.909   3.924
  146    HB2  ARG  20           2HB      ARG  20  -5.957  12.353   4.155
  147    HB3  ARG  20           1HB      ARG  20  -6.191  13.762   3.135
  148    HG2  ARG  20           2HG      ARG  20  -5.686  12.276   1.174
  149    HG3  ARG  20           1HG      ARG  20  -5.855  10.920   2.290
  150    HD2  ARG  20           2HD      ARG  20  -7.953  11.397   1.107
  151    HD3  ARG  20           1HD      ARG  20  -8.109  11.624   2.845
  152    HE   ARG  20           HE       ARG  20  -7.459  14.082   1.598
  153   HH11  ARG  20          1HH1      ARG  20 -10.095  11.843   2.065
  154   HH12  ARG  20          2HH1      ARG  20 -11.331  13.033   1.810
  155   HH21  ARG  20          1HH2      ARG  20  -9.080  15.673   1.294
  156   HH22  ARG  20          2HH2      ARG  20 -10.751  15.219   1.382
  157    H    ILE  21           H        ILE  21  -2.842  11.390   1.851
  158    HA   ILE  21           HA       ILE  21  -2.317   9.522   3.959
  159    HB   ILE  21           HB       ILE  21  -2.338   8.769   1.646
  160   HG12  ILE  21          2HG1      ILE  21  -0.300   7.413   1.652
  161   HG13  ILE  21          1HG1      ILE  21   0.436   8.492   2.829
  162   HG21  ILE  21          1HG2      ILE  21  -0.354   9.322   0.181
  163   HG22  ILE  21          2HG2      ILE  21  -0.001  10.622   1.321
  164   HG23  ILE  21          3HG2      ILE  21  -1.524  10.617   0.434
  165   HD11  ILE  21          3HD1      ILE  21  -0.348   6.441   3.860
  166   HD12  ILE  21          1HD1      ILE  21  -1.983   6.761   3.286
  167   HD13  ILE  21          2HD1      ILE  21  -1.239   7.833   4.474
  168    H    ALA  22           H        ALA  22  -0.897  12.446   2.870
  169    HA   ALA  22           HA       ALA  22   1.637  12.056   4.191
  170    HB1  ALA  22           1HB      ALA  22   0.405  14.574   3.075
  171    HB2  ALA  22           2HB      ALA  22   1.464  13.472   2.195
  172    HB3  ALA  22           3HB      ALA  22   2.082  14.371   3.581
  173    H    ALA  23           H        ALA  23  -1.496  12.867   5.127
  174    HA   ALA  23           HA       ALA  23  -0.846  14.721   7.227
  175    HB1  ALA  23           1HB      ALA  23  -3.008  14.823   6.104
  176    HB2  ALA  23           2HB      ALA  23  -3.214  14.511   7.828
  177    HB3  ALA  23           3HB      ALA  23  -3.389  13.195   6.668
  178    H    GLU  24           H        GLU  24  -1.059  14.323   9.460
  179    HA   GLU  24           HA       GLU  24  -0.011  11.765  10.242
  180    HB2  GLU  24           2HB      GLU  24   0.797  13.865  11.247
  181    HB3  GLU  24           1HB      GLU  24  -0.799  14.145  11.929
  182    HG2  GLU  24           2HG      GLU  24  -0.594  12.224  13.345
  183    HG3  GLU  24           1HG      GLU  24   0.924  11.767  12.573
  184    H    GLY  25           H        GLY  25  -3.085  13.414  10.370
  185    HA2  GLY  25           2HA      GLY  25  -4.311  11.274  11.921
  186    HA3  GLY  25           1HA      GLY  25  -5.121  12.702  11.285
  187    H    TYR  26           H        TYR  26  -3.118  10.312   9.654
  188    HA   TYR  26           HA       TYR  26  -4.747  10.281   7.350
  189    HB2  TYR  26           2HB      TYR  26  -3.259   8.400   6.633
  190    HB3  TYR  26           1HB      TYR  26  -2.387   9.831   7.164
  191    HD1  TYR  26           1HD      TYR  26  -3.230   6.351   7.977
  192    HD2  TYR  26           2HD      TYR  26  -1.032   9.789   9.170
  193    HE1  TYR  26           1HE      TYR  26  -1.948   4.974   9.559
  194    HE2  TYR  26           2HE      TYR  26   0.254   8.422  10.755
  195    HH   TYR  26           HH       TYR  26   0.009   4.943  10.803
  196    H    ALA  27           H        ALA  27  -4.578   8.177  10.168
  197    HA   ALA  27           HA       ALA  27  -5.953   6.007   8.904
  198    HB1  ALA  27           1HB      ALA  27  -5.869   4.931  11.057
  199    HB2  ALA  27           2HB      ALA  27  -5.427   6.452  11.834
  200    HB3  ALA  27           3HB      ALA  27  -4.312   5.680  10.706
  201    H    GLU  28           H        GLU  28  -7.085   8.917   9.895
  202    HA   GLU  28           HA       GLU  28  -9.655   7.828  10.802
  203    HB2  GLU  28           2HB      GLU  28  -8.527  10.624  10.998
  204    HB3  GLU  28           1HB      GLU  28 -10.137  10.157  11.532
  205    HG2  GLU  28           2HG      GLU  28  -7.537   9.098  12.618
  206    HG3  GLU  28           1HG      GLU  28  -8.590  10.278  13.398
  207    H    ASP  29           H        ASP  29  -8.152   8.928   8.038
  208    HA   ASP  29           HA       ASP  29 -10.395  10.374   6.935
  209    HB2  ASP  29           2HB      ASP  29  -8.163  11.024   6.233
  210    HB3  ASP  29           1HB      ASP  29  -7.850   9.395   5.634
  211    H    GLU  30           H        GLU  30 -12.047   9.547   5.907
  212    HA   GLU  30           HA       GLU  30 -12.544   6.787   6.041
  213    HB2  GLU  30           2HB      GLU  30 -14.293   8.530   6.169
  214    HB3  GLU  30           1HB      GLU  30 -14.028   8.894   4.468
  215    HG2  GLU  30           2HG      GLU  30 -14.634   6.528   3.955
  216    HG3  GLU  30           1HG      GLU  30 -15.089   6.346   5.650
  217    H    LEU  31           H        LEU  31 -11.495   8.884   3.425
  218    HA   LEU  31           HA       LEU  31 -11.959   7.071   1.325
  219    HB2  LEU  31           2HB      LEU  31 -10.650   9.637   1.707
  220    HB3  LEU  31           1HB      LEU  31  -9.799   8.624   0.556
  221    HG   LEU  31           HG       LEU  31 -12.713   9.416   0.395
  222   HD11  LEU  31          1HD1      LEU  31 -12.023  10.755  -1.521
  223   HD12  LEU  31          2HD1      LEU  31 -10.341  10.311  -1.226
  224   HD13  LEU  31          3HD1      LEU  31 -11.218  11.282  -0.042
  225   HD21  LEU  31          3HD2      LEU  31 -12.556   8.437  -1.888
  226   HD22  LEU  31          1HD2      LEU  31 -12.425   7.255  -0.588
  227   HD23  LEU  31          2HD2      LEU  31 -10.979   7.783  -1.447
  228    H    LEU  32           H        LEU  32  -9.229   7.734   3.417
  229    HA   LEU  32           HA       LEU  32  -7.393   6.050   2.081
  230    HB2  LEU  32           2HB      LEU  32  -7.138   8.013   3.779
  231    HB3  LEU  32           1HB      LEU  32  -7.297   6.746   4.989
  232    HG   LEU  32           HG       LEU  32  -5.406   5.622   3.574
  233   HD11  LEU  32          1HD1      LEU  32  -5.414   7.291   1.805
  234   HD12  LEU  32          2HD1      LEU  32  -3.854   7.243   2.624
  235   HD13  LEU  32          3HD1      LEU  32  -4.994   8.540   2.977
  236   HD21  LEU  32          3HD2      LEU  32  -4.912   7.904   5.469
  237   HD22  LEU  32          1HD2      LEU  32  -3.731   6.673   5.024
  238   HD23  LEU  32          2HD2      LEU  32  -5.186   6.218   5.909
  239    H    LEU  33           H        LEU  33  -9.554   5.763   4.824
  240    HA   LEU  33           HA       LEU  33  -8.766   3.235   5.714
  241    HB2  LEU  33           2HB      LEU  33 -11.177   4.930   6.014
  242    HB3  LEU  33           1HB      LEU  33 -11.138   3.333   6.702
  243    HG   LEU  33           HG       LEU  33  -9.335   5.645   7.384
  244   HD11  LEU  33          1HD1      LEU  33 -11.442   4.207   8.989
  245   HD12  LEU  33          2HD1      LEU  33 -11.577   5.827   8.306
  246   HD13  LEU  33          3HD1      LEU  33 -10.399   5.503   9.579
  247   HD21  LEU  33          3HD2      LEU  33  -9.313   2.805   8.401
  248   HD22  LEU  33          1HD2      LEU  33  -8.433   4.143   9.141
  249   HD23  LEU  33          2HD2      LEU  33  -8.034   3.624   7.504
  250    H    ASN  34           H        ASN  34 -11.489   4.221   3.618
  251    HA   ASN  34           HA       ASN  34 -12.402   1.513   3.416
  252    HB2  ASN  34           2HB      ASN  34 -14.227   2.297   2.239
  253    HB3  ASN  34           1HB      ASN  34 -13.786   3.723   3.169
  254   HD21  ASN  34          1HD2      ASN  34 -12.932   5.501   2.117
  255   HD22  ASN  34          2HD2      ASN  34 -12.993   5.670   0.393
  256    H    GLN  35           H        GLN  35 -10.269   3.537   1.577
  257    HA   GLN  35           HA       GLN  35 -10.297   2.016  -0.818
  258    HB2  GLN  35           2HB      GLN  35  -9.250   4.415  -0.007
  259    HB3  GLN  35           1HB      GLN  35  -7.805   3.422  -0.115
  260    HG2  GLN  35           2HG      GLN  35  -7.845   3.406  -2.340
  261    HG3  GLN  35           1HG      GLN  35  -9.587   3.148  -2.391
  262   HE21  GLN  35          1HE2      GLN  35  -8.208   5.835  -0.645
  263   HE22  GLN  35          2HE2      GLN  35  -8.742   7.064  -1.730
  264    H    MET  36           H        MET  36  -8.118   2.115   1.990
  265    HA   MET  36           HA       MET  36  -6.604  -0.136   1.110
  266    HB2  MET  36           2HB      MET  36  -5.608   1.446   2.672
  267    HB3  MET  36           1HB      MET  36  -6.845   1.079   3.870
  268    HG2  MET  36           2HG      MET  36  -4.770  -0.076   4.381
  269    HG3  MET  36           1HG      MET  36  -6.056  -1.219   3.997
  270    HE1  MET  36           3HE      MET  36  -4.747  -3.218   3.527
  271    HE2  MET  36           1HE      MET  36  -3.200  -2.488   3.946
  272    HE3  MET  36           2HE      MET  36  -3.377  -3.361   2.424
  273    H    GLY  37           H        GLY  37  -9.308   0.327   3.375
  274    HA2  GLY  37           2HA      GLY  37  -9.514  -2.239   4.411
  275    HA3  GLY  37           1HA      GLY  37 -10.879  -1.166   4.146
  276    H    LYS  38           H        LYS  38 -10.573  -1.023   1.316
  277    HA   LYS  38           HA       LYS  38 -11.901  -3.341   0.399
  278    HB2  LYS  38           2HB      LYS  38 -12.062  -1.101  -0.638
  279    HB3  LYS  38           1HB      LYS  38 -10.374  -1.220  -1.110
  280    HG2  LYS  38           2HG      LYS  38 -12.178  -3.370  -2.053
  281    HG3  LYS  38           1HG      LYS  38 -12.403  -1.769  -2.758
  282    HD2  LYS  38           2HD      LYS  38  -9.978  -1.733  -3.308
  283    HD3  LYS  38           1HD      LYS  38  -9.861  -3.393  -2.724
  284    HE2  LYS  38           2HE      LYS  38 -11.448  -4.120  -4.418
  285    HE3  LYS  38           1HE      LYS  38 -11.640  -2.458  -4.973
  286    HZ1  LYS  38           3HZ      LYS  38 -10.135  -3.613  -6.414
  287    HZ2  LYS  38           1HZ      LYS  38  -9.167  -4.093  -5.113
  288    HZ3  LYS  38           2HZ      LYS  38  -9.259  -2.463  -5.542
  289    H    VAL  39           H        VAL  39  -8.611  -2.118  -0.133
  290    HA   VAL  39           HA       VAL  39  -7.690  -4.679  -1.165
  291    HB   VAL  39           HB       VAL  39  -6.157  -2.138  -0.568
  292   HG11  VAL  39          1HG1      VAL  39  -5.406  -4.579  -2.142
  293   HG12  VAL  39          2HG1      VAL  39  -4.608  -3.910  -0.713
  294   HG13  VAL  39          3HG1      VAL  39  -4.550  -3.039  -2.247
  295   HG21  VAL  39          3HG2      VAL  39  -7.921  -1.736  -2.187
  296   HG22  VAL  39          1HG2      VAL  39  -7.345  -3.087  -3.163
  297   HG23  VAL  39          2HG2      VAL  39  -6.335  -1.658  -2.952
  298    H    ASN  40           H        ASN  40  -8.642  -4.944   1.475
  299    HA   ASN  40           HA       ASN  40  -6.147  -5.211   3.016
  300    HB2  ASN  40           2HB      ASN  40  -7.511  -3.138   3.554
  301    HB3  ASN  40           1HB      ASN  40  -8.714  -4.233   4.233
  302   HD21  ASN  40          1HD2      ASN  40  -5.260  -4.711   4.353
  303   HD22  ASN  40          2HD2      ASN  40  -5.116  -4.578   6.068
  304    H    ASP  41           H        ASP  41  -9.359  -6.364   2.395
  305    HA   ASP  41           HA       ASP  41  -9.372  -8.111   4.691
  306    HB2  ASP  41           2HB      ASP  41 -11.478  -7.139   3.907
  307    HB3  ASP  41           1HB      ASP  41 -11.279  -7.913   2.337
  308    H    THR  42           H        THR  42  -8.546  -8.307   1.335
  309    HA   THR  42           HA       THR  42  -7.962 -11.175   1.649
  310    HB   THR  42           HB       THR  42  -8.271 -11.318  -0.850
  311    HG1  THR  42           1HG      THR  42  -8.299  -9.353  -1.708
  312   HG21  THR  42          3HG2      THR  42 -10.721 -11.343  -0.766
  313   HG22  THR  42          1HG2      THR  42 -10.682 -10.422   0.737
  314   HG23  THR  42          2HG2      THR  42 -10.031 -12.060   0.689
  315    HA   PRO  43           HA       PRO  43  -4.160  -8.789   0.390
  316    HB2  PRO  43           2HB      PRO  43  -2.937  -8.304   2.664
  317    HB3  PRO  43           1HB      PRO  43  -4.428  -7.435   2.275
  318    HG2  PRO  43           2HG      PRO  43  -3.997  -9.711   4.154
  319    HG3  PRO  43           1HG      PRO  43  -5.090  -8.327   4.301
  320    HD2  PRO  43           2HD      PRO  43  -5.739 -10.923   3.354
  321    HD3  PRO  43           1HD      PRO  43  -6.775  -9.483   3.316
  322    H    GLU  44           H        GLU  44  -4.658 -11.798   1.684
  323    HA   GLU  44           HA       GLU  44  -3.515 -13.742   1.638
  324    HB2  GLU  44           2HB      GLU  44  -2.479 -12.948  -0.453
  325    HB3  GLU  44           1HB      GLU  44  -1.201 -12.187   0.486
  326    HG2  GLU  44           2HG      GLU  44  -0.412 -14.301   1.257
  327    HG3  GLU  44           1HG      GLU  44  -1.796 -15.133   0.552
  328    H    GLU  45           H        GLU  45  -1.479 -11.055   2.768
  329    HA   GLU  45           HA       GLU  45   0.026 -12.600   4.585
  330    HB2  GLU  45           2HB      GLU  45  -0.593  -9.664   4.518
  331    HB3  GLU  45           1HB      GLU  45   0.443 -10.381   5.737
  332    HG2  GLU  45           2HG      GLU  45   1.879 -11.202   3.836
  333    HG3  GLU  45           1HG      GLU  45   0.910 -10.166   2.783
  334    H    GLU  46           H        GLU  46  -1.911  -9.968   5.861
  335    HA   GLU  46           HA       GLU  46  -3.047 -11.803   7.857
  336    HB2  GLU  46           2HB      GLU  46  -1.940  -9.031   8.349
  337    HB3  GLU  46           1HB      GLU  46  -2.713 -10.047   9.553
  338    HG2  GLU  46           2HG      GLU  46  -0.185 -10.785   8.105
  339    HG3  GLU  46           1HG      GLU  46  -0.230  -9.974   9.668
  340    H    GLY  47           H        GLY  47  -3.288  -8.309   7.367
  341    HA2  GLY  47           2HA      GLY  47  -5.527  -7.799   6.064
  342    HA3  GLY  47           1HA      GLY  47  -6.189  -8.513   7.524
  343    H    MET  48           H        MET  48  -6.183  -7.342   9.424
  344    HA   MET  48           HA       MET  48  -6.221  -4.584   9.181
  345    HB2  MET  48           2HB      MET  48  -7.518  -5.844  10.813
  346    HB3  MET  48           1HB      MET  48  -6.041  -6.256  11.677
  347    HG2  MET  48           2HG      MET  48  -6.791  -3.401  11.229
  348    HG3  MET  48           1HG      MET  48  -7.509  -4.328  12.546
  349    HE1  MET  48           3HE      MET  48  -5.511  -1.644  12.332
  350    HE2  MET  48           1HE      MET  48  -4.651  -1.815  13.864
  351    HE3  MET  48           2HE      MET  48  -6.395  -2.079  13.795
  352    HA   PRO  49           HA       PRO  49  -1.775  -4.537  11.188
  353    HB2  PRO  49           2HB      PRO  49  -0.742  -7.078  10.052
  354    HB3  PRO  49           1HB      PRO  49  -0.466  -6.368  11.648
  355    HG2  PRO  49           2HG      PRO  49  -2.049  -8.481  11.396
  356    HG3  PRO  49           1HG      PRO  49  -2.489  -7.153  12.487
  357    HD2  PRO  49           2HD      PRO  49  -3.473  -7.713   9.707
  358    HD3  PRO  49           1HD      PRO  49  -4.406  -7.322  11.158
  359    H    LEU  50           H        LEU  50  -2.643  -6.081   8.187
  360    HA   LEU  50           HA       LEU  50  -0.529  -5.264   6.555
  361    HB2  LEU  50           2HB      LEU  50  -3.328  -6.118   6.135
  362    HB3  LEU  50           1HB      LEU  50  -2.524  -5.328   4.796
  363    HG   LEU  50           HG       LEU  50  -2.474  -8.011   5.353
  364   HD11  LEU  50          1HD1      LEU  50  -0.357  -6.457   3.861
  365   HD12  LEU  50          2HD1      LEU  50  -1.988  -6.728   3.249
  366   HD13  LEU  50          3HD1      LEU  50  -0.912  -8.098   3.530
  367   HD21  LEU  50          3HD2      LEU  50   0.262  -6.964   6.056
  368   HD22  LEU  50          1HD2      LEU  50  -0.322  -8.623   6.123
  369   HD23  LEU  50          2HD2      LEU  50  -0.918  -7.435   7.280
  370    H    ARG  51           H        ARG  51  -3.668  -3.714   7.160
  371    HA   ARG  51           HA       ARG  51  -3.056  -1.466   5.553
  372    HB2  ARG  51           2HB      ARG  51  -4.957  -0.352   6.719
  373    HB3  ARG  51           1HB      ARG  51  -5.350  -1.904   5.995
  374    HG2  ARG  51           2HG      ARG  51  -6.154  -2.588   7.936
  375    HG3  ARG  51           1HG      ARG  51  -4.557  -2.400   8.657
  376    HD2  ARG  51           2HD      ARG  51  -5.812  -1.039  10.015
  377    HD3  ARG  51           1HD      ARG  51  -5.256   0.118   8.808
  378    HE   ARG  51           HE       ARG  51  -7.613  -0.731   7.792
  379   HH11  ARG  51          1HH1      ARG  51  -6.671   0.555  10.910
  380   HH12  ARG  51          2HH1      ARG  51  -8.244   1.196  11.258
  381   HH21  ARG  51          1HH2      ARG  51  -9.684   0.109   8.251
  382   HH22  ARG  51          2HH2      ARG  51  -9.959   0.947   9.746
  383    H    ALA  52           H        ALA  52  -2.676  -2.129   9.007
  384    HA   ALA  52           HA       ALA  52  -1.840   0.441   9.732
  385    HB1  ALA  52           1HB      ALA  52  -2.435  -1.323  11.342
  386    HB2  ALA  52           2HB      ALA  52  -0.866  -0.595  11.699
  387    HB3  ALA  52           3HB      ALA  52  -0.948  -2.182  10.932
  388    H    TRP  53           H        TRP  53   0.125  -2.374   8.672
  389    HA   TRP  53           HA       TRP  53   2.564  -0.932   8.953
  390    HB2  TRP  53           2HB      TRP  53   3.626  -2.903   8.557
  391    HB3  TRP  53           1HB      TRP  53   2.036  -3.551   8.885
  392    HD1  TRP  53           HD       TRP  53   1.135  -5.220   7.176
  393    HE1  TRP  53           1HE      TRP  53   1.778  -5.963   4.774
  394    HE3  TRP  53           3HE      TRP  53   4.770  -1.761   6.205
  395    HZ2  TRP  53           2HZ      TRP  53   3.571  -5.166   2.786
  396    HZ3  TRP  53           3HZ      TRP  53   5.913  -1.839   4.028
  397    HH2  TRP  53           HH       TRP  53   5.313  -3.514   2.351
  398    H    VAL  54           H        VAL  54   0.531  -1.744   6.182
  399    HA   VAL  54           HA       VAL  54   2.399  -0.769   4.287
  400    HB   VAL  54           HB       VAL  54   0.470  -2.464   4.018
  401   HG11  VAL  54          1HG1      VAL  54  -1.360  -0.991   4.608
  402   HG12  VAL  54          2HG1      VAL  54  -1.532  -1.551   2.945
  403   HG13  VAL  54          3HG1      VAL  54  -0.954   0.084   3.272
  404   HG21  VAL  54          3HG2      VAL  54   2.061  -1.908   2.279
  405   HG22  VAL  54          1HG2      VAL  54   1.141  -0.462   1.866
  406   HG23  VAL  54          2HG2      VAL  54   0.443  -2.059   1.595
  407    H    ILE  55           H        ILE  55  -0.524   0.628   5.752
  408    HA   ILE  55           HA       ILE  55  -0.468   3.021   4.265
  409    HB   ILE  55           HB       ILE  55  -1.609   2.452   7.000
  410   HG12  ILE  55          2HG1      ILE  55  -2.950   2.790   4.311
  411   HG13  ILE  55          1HG1      ILE  55  -2.587   1.239   5.065
  412   HG21  ILE  55          1HG2      ILE  55  -1.134   4.832   6.814
  413   HG22  ILE  55          2HG2      ILE  55  -2.870   4.526   6.774
  414   HG23  ILE  55          3HG2      ILE  55  -2.005   4.900   5.280
  415   HD11  ILE  55          3HD1      ILE  55  -4.436   3.350   6.150
  416   HD12  ILE  55          1HD1      ILE  55  -4.066   1.805   6.925
  417   HD13  ILE  55          2HD1      ILE  55  -4.910   1.840   5.373
  418    H    LYS  56           H        LYS  56   1.005   2.152   7.408
  419    HA   LYS  56           HA       LYS  56   2.128   4.718   7.813
  420    HB2  LYS  56           2HB      LYS  56   1.990   3.095   9.646
  421    HB3  LYS  56           1HB      LYS  56   3.148   2.056   8.823
  422    HG2  LYS  56           2HG      LYS  56   4.891   3.649   9.092
  423    HG3  LYS  56           1HG      LYS  56   3.761   4.882   9.650
  424    HD2  LYS  56           2HD      LYS  56   3.305   3.554  11.651
  425    HD3  LYS  56           1HD      LYS  56   4.438   2.321  11.091
  426    HE2  LYS  56           2HE      LYS  56   5.438   3.833  12.763
  427    HE3  LYS  56           1HE      LYS  56   6.270   3.893  11.212
  428    HZ1  LYS  56           3HZ      LYS  56   4.234   5.863  12.097
  429    HZ2  LYS  56           1HZ      LYS  56   5.175   5.950  10.692
  430    HZ3  LYS  56           2HZ      LYS  56   5.900   6.096  12.216
  431    H    CYS  57           H        CYS  57   3.426   1.777   6.286
  432    HA   CYS  57           HA       CYS  57   5.997   2.749   5.777
  433    HB2  CYS  57           2HB      CYS  57   5.339   0.378   5.538
  434    HB3  CYS  57           1HB      CYS  57   4.400   0.794   4.109
  435    HG   CYS  57           HG       CYS  57   7.228   1.981   3.354
  436    H    ALA  58           H        ALA  58   3.056   2.925   3.786
  437    HA   ALA  58           HA       ALA  58   4.230   4.279   1.603
  438    HB1  ALA  58           1HB      ALA  58   1.933   4.878   0.992
  439    HB2  ALA  58           2HB      ALA  58   1.372   4.337   2.574
  440    HB3  ALA  58           3HB      ALA  58   2.063   3.178   1.437
  441    H    HIS  59           H        HIS  59   2.671   5.386   4.562
  442    HA   HIS  59           HA       HIS  59   2.651   8.139   4.067
  443    HB2  HIS  59           2HB      HIS  59   1.437   7.020   5.915
  444    HB3  HIS  59           1HB      HIS  59   2.970   6.698   6.713
  445    HD1  HIS  59           1HD      HIS  59   1.789   8.077   8.705
  446    HD2  HIS  59           2HD      HIS  59   2.827  10.236   5.327
  447    HE1  HIS  59           1HE      HIS  59   1.707  10.486   9.401
  448    HE2  HIS  59           2HE      HIS  59   2.674  11.731   7.430
  449    H    GLU  60           H        GLU  60   5.056   6.164   5.804
  450    HA   GLU  60           HA       GLU  60   6.890   8.204   6.364
  451    HB2  GLU  60           2HB      GLU  60   7.633   5.343   5.739
  452    HB3  GLU  60           1HB      GLU  60   8.501   6.472   6.766
  453    HG2  GLU  60           2HG      GLU  60   5.771   5.366   7.364
  454    HG3  GLU  60           1HG      GLU  60   7.279   4.721   8.003
  455    H    ALA  61           H        ALA  61   6.596   6.049   3.581
  456    HA   ALA  61           HA       ALA  61   8.979   6.821   2.294
  457    HB1  ALA  61           1HB      ALA  61   7.778   4.739   1.797
  458    HB2  ALA  61           2HB      ALA  61   8.093   5.687   0.343
  459    HB3  ALA  61           3HB      ALA  61   6.481   5.676   1.057
  460    H    LEU  62           H        LEU  62   5.639   7.972   1.971
  461    HA   LEU  62           HA       LEU  62   6.155   9.587  -0.293
  462    HB2  LEU  62           2HB      LEU  62   3.904   8.855   0.284
  463    HB3  LEU  62           1HB      LEU  62   3.943   9.844   1.736
  464    HG   LEU  62           HG       LEU  62   4.458  11.757  -0.048
  465   HD11  LEU  62          1HD1      LEU  62   4.437  10.157  -1.930
  466   HD12  LEU  62          2HD1      LEU  62   3.250  11.451  -2.092
  467   HD13  LEU  62          3HD1      LEU  62   2.733   9.839  -1.594
  468   HD21  LEU  62          3HD2      LEU  62   2.107  12.323  -0.016
  469   HD22  LEU  62          1HD2      LEU  62   2.623  11.733   1.564
  470   HD23  LEU  62          2HD2      LEU  62   1.704  10.681   0.488
  471    H    GLU  63           H        GLU  63   5.977  10.386   3.191
  472    HA   GLU  63           HA       GLU  63   6.402  13.162   2.721
  473    HB2  GLU  63           2HB      GLU  63   6.662  11.480   5.206
  474    HB3  GLU  63           1HB      GLU  63   7.033  13.198   5.198
  475    HG2  GLU  63           2HG      GLU  63   4.667  13.471   4.206
  476    HG3  GLU  63           1HG      GLU  63   4.401  11.837   4.814
  477    H    LYS  64           H        LYS  64   8.547  10.449   3.001
  478    HA   LYS  64           HA       LYS  64  10.931  11.854   3.582
  479    HB2  LYS  64           2HB      LYS  64  10.425   9.279   3.502
  480    HB3  LYS  64           1HB      LYS  64  10.871   9.424   1.810
  481    HG2  LYS  64           2HG      LYS  64  12.655  10.277   4.078
  482    HG3  LYS  64           1HG      LYS  64  12.701   8.677   3.340
  483    HD2  LYS  64           2HD      LYS  64  13.277   9.658   1.195
  484    HD3  LYS  64           1HD      LYS  64  13.139  11.279   1.877
  485    HE2  LYS  64           2HE      LYS  64  15.113   9.175   2.757
  486    HE3  LYS  64           1HE      LYS  64  15.476  10.534   1.698
  487    HZ1  LYS  64           3HZ      LYS  64  16.132  10.997   3.966
  488    HZ2  LYS  64           1HZ      LYS  64  14.552  10.734   4.512
  489    HZ3  LYS  64           2HZ      LYS  64  14.889  12.041   3.493
  490    H    ASN  65           H        ASN  65   9.415  10.860   0.542
  491    HA   ASN  65           HA       ASN  65  10.821  13.047  -0.807
  492    HB2  ASN  65           2HB      ASN  65  10.957  11.546  -2.856
  493    HB3  ASN  65           1HB      ASN  65  12.052  11.151  -1.539
  494   HD21  ASN  65          1HD2      ASN  65   9.177  10.200  -3.250
  495   HD22  ASN  65          2HD2      ASN  65   9.125   8.568  -2.694
  496    HA   PRO  66           HA       PRO  66   6.224  13.159  -1.352
  497    HB2  PRO  66           2HB      PRO  66   5.875  15.769  -0.807
  498    HB3  PRO  66           1HB      PRO  66   6.093  14.573   0.470
  499    HG2  PRO  66           2HG      PRO  66   8.118  16.424  -0.742
  500    HG3  PRO  66           1HG      PRO  66   7.808  16.081   0.971
  501    HD2  PRO  66           2HD      PRO  66   9.816  14.895  -0.411
  502    HD3  PRO  66           1HD      PRO  66   8.954  14.080   0.907
  503    H    LYS  67           H        LYS  67   8.030  13.085  -3.466
  504    HA   LYS  67           HA       LYS  67   6.911  15.094  -5.306
  505    HB2  LYS  67           2HB      LYS  67   9.719  13.973  -5.419
  506    HB3  LYS  67           1HB      LYS  67   9.029  15.179  -6.495
  507    HG2  LYS  67           2HG      LYS  67   8.861  16.749  -4.632
  508    HG3  LYS  67           1HG      LYS  67   9.555  15.536  -3.554
  509    HD2  LYS  67           2HD      LYS  67  11.576  15.489  -4.983
  510    HD3  LYS  67           1HD      LYS  67  10.883  16.787  -5.954
  511    HE2  LYS  67           2HE      LYS  67  10.817  18.216  -3.954
  512    HE3  LYS  67           1HE      LYS  67  11.564  16.919  -3.021
  513    HZ1  LYS  67           3HZ      LYS  67  12.774  18.322  -5.343
  514    HZ2  LYS  67           1HZ      LYS  67  13.491  17.046  -4.496
  515    HZ3  LYS  67           2HZ      LYS  67  13.210  18.523  -3.725
  516    H    ILE  68           H        ILE  68   6.638  12.066  -4.478
  517    HA   ILE  68           HA       ILE  68   6.945  10.897  -7.145
  518    HB   ILE  68           HB       ILE  68   6.345   8.737  -6.015
  519   HG12  ILE  68          2HG1      ILE  68   6.820  10.294  -3.458
  520   HG13  ILE  68          1HG1      ILE  68   5.233   9.797  -4.036
  521   HG21  ILE  68          1HG2      ILE  68   8.579   8.493  -4.946
  522   HG22  ILE  68          2HG2      ILE  68   8.803  10.232  -5.149
  523   HG23  ILE  68          3HG2      ILE  68   8.610   9.196  -6.563
  524   HD11  ILE  68          3HD1      ILE  68   6.078   8.296  -2.324
  525   HD12  ILE  68          1HD1      ILE  68   7.498   7.953  -3.313
  526   HD13  ILE  68          2HD1      ILE  68   5.897   7.463  -3.867
  527    H    ARG  69           H        ARG  69   5.160   9.109  -7.443
  528    HA   ARG  69           HA       ARG  69   2.532  10.391  -7.043
  529    HB2  ARG  69           2HB      ARG  69   3.498  10.691  -9.387
  530    HB3  ARG  69           1HB      ARG  69   3.318   8.952  -9.578
  531    HG2  ARG  69           2HG      ARG  69   0.865   9.339  -8.926
  532    HG3  ARG  69           1HG      ARG  69   1.192  11.038  -9.270
  533    HD2  ARG  69           2HD      ARG  69   0.301  10.107 -11.256
  534    HD3  ARG  69           1HD      ARG  69   2.032  10.299 -11.528
  535    HE   ARG  69           HE       ARG  69   2.005   7.792 -10.751
  536   HH11  ARG  69          1HH1      ARG  69  -0.252   9.416 -12.870
  537   HH12  ARG  69          2HH1      ARG  69  -0.665   7.974 -13.742
  538   HH21  ARG  69          1HH2      ARG  69   1.462   5.883 -11.887
  539   HH22  ARG  69          2HH2      ARG  69   0.313   5.974 -13.194
  540    H    GLU  70           H        GLU  70   4.496   7.610  -7.063
  541    HA   GLU  70           HA       GLU  70   2.531   6.091  -5.675
  542    HB2  GLU  70           2HB      GLU  70   2.500   4.193  -7.284
  543    HB3  GLU  70           1HB      GLU  70   1.720   5.648  -7.911
  544    HG2  GLU  70           2HG      GLU  70   3.785   6.171  -9.157
  545    HG3  GLU  70           1HG      GLU  70   4.503   4.676  -8.565
  546    H    VAL  71           H        VAL  71   3.453   4.073  -4.866
  547    HA   VAL  71           HA       VAL  71   6.384   3.970  -5.081
  548    HB   VAL  71           HB       VAL  71   5.680   5.042  -2.941
  549   HG11  VAL  71          1HG1      VAL  71   3.621   3.917  -2.509
  550   HG12  VAL  71          2HG1      VAL  71   4.728   3.617  -1.168
  551   HG13  VAL  71          3HG1      VAL  71   4.446   2.364  -2.378
  552   HG21  VAL  71          3HG2      VAL  71   7.826   3.929  -3.075
  553   HG22  VAL  71          1HG2      VAL  71   7.074   2.385  -2.668
  554   HG23  VAL  71          2HG2      VAL  71   7.115   3.686  -1.478
  555    H    TYR  72           H        TYR  72   7.301   1.873  -4.754
  556    HA   TYR  72           HA       TYR  72   5.355  -0.248  -5.343
  557    HB2  TYR  72           2HB      TYR  72   8.282  -0.109  -6.120
  558    HB3  TYR  72           1HB      TYR  72   7.150  -1.385  -6.569
  559    HD1  TYR  72           1HD      TYR  72   5.335  -0.924  -8.175
  560    HD2  TYR  72           2HD      TYR  72   8.273   2.010  -7.252
  561    HE1  TYR  72           1HE      TYR  72   4.639   0.384 -10.135
  562    HE2  TYR  72           2HE      TYR  72   7.588   3.324  -9.213
  563    HH   TYR  72           HH       TYR  72   4.701   2.771 -10.852
  564    H    LEU  73           H        LEU  73   5.024  -1.625  -3.872
  565    HA   LEU  73           HA       LEU  73   6.903  -1.743  -1.624
  566    HB2  LEU  73           2HB      LEU  73   5.162  -0.110  -1.224
  567    HB3  LEU  73           1HB      LEU  73   3.927  -1.276  -1.645
  568    HG   LEU  73           HG       LEU  73   5.717  -1.914   0.621
  569   HD11  LEU  73          1HD1      LEU  73   5.129   0.427   1.024
  570   HD12  LEU  73          2HD1      LEU  73   4.282  -0.635   2.150
  571   HD13  LEU  73          3HD1      LEU  73   3.425   0.048   0.767
  572   HD21  LEU  73          3HD2      LEU  73   4.063  -3.512  -0.132
  573   HD22  LEU  73          1HD2      LEU  73   2.792  -2.300   0.032
  574   HD23  LEU  73          2HD2      LEU  73   3.626  -2.897   1.463
  575    H    LYS  74           H        LYS  74   6.976  -3.697  -0.492
  576    HA   LYS  74           HA       LYS  74   5.356  -5.865  -1.634
  577    HB2  LYS  74           2HB      LYS  74   7.746  -5.913  -2.427
  578    HB3  LYS  74           1HB      LYS  74   8.222  -6.201  -0.753
  579    HG2  LYS  74           2HG      LYS  74   6.626  -8.174  -0.802
  580    HG3  LYS  74           1HG      LYS  74   6.583  -7.955  -2.550
  581    HD2  LYS  74           2HD      LYS  74   9.000  -8.269  -2.649
  582    HD3  LYS  74           1HD      LYS  74   9.046  -8.475  -0.893
  583    HE2  LYS  74           2HE      LYS  74   7.388 -10.363  -1.206
  584    HE3  LYS  74           1HE      LYS  74   7.722 -10.237  -2.937
  585    HZ1  LYS  74           3HZ      LYS  74   9.102 -11.936  -1.865
  586    HZ2  LYS  74           1HZ      LYS  74   9.795 -10.761  -0.870
  587    HZ3  LYS  74           2HZ      LYS  74  10.035 -10.707  -2.541
  588    HA   PRO  75           HA       PRO  75   3.683  -6.904   2.339
  589    HB2  PRO  75           2HB      PRO  75   4.532  -9.491   1.085
  590    HB3  PRO  75           1HB      PRO  75   3.117  -9.172   2.107
  591    HG2  PRO  75           2HG      PRO  75   2.784  -9.116  -0.469
  592    HG3  PRO  75           1HG      PRO  75   2.122  -7.799   0.490
  593    HD2  PRO  75           2HD      PRO  75   4.497  -7.803  -1.297
  594    HD3  PRO  75           1HD      PRO  75   3.375  -6.487  -0.907
  595    H    ARG  76           H        ARG  76   4.346  -7.198   4.291
  596    HA   ARG  76           HA       ARG  76   7.017  -7.198   5.072
  597    HB2  ARG  76           2HB      ARG  76   4.889  -6.482   6.328
  598    HB3  ARG  76           1HB      ARG  76   4.721  -8.177   6.758
  599    HG2  ARG  76           2HG      ARG  76   6.868  -8.123   7.882
  600    HG3  ARG  76           1HG      ARG  76   7.078  -6.437   7.405
  601    HD2  ARG  76           2HD      ARG  76   6.303  -6.558   9.701
  602    HD3  ARG  76           1HD      ARG  76   5.060  -5.839   8.675
  603    HE   ARG  76           HE       ARG  76   4.668  -8.640   8.917
  604   HH11  ARG  76          1HH1      ARG  76   4.292  -5.636  10.673
  605   HH12  ARG  76          2HH1      ARG  76   3.025  -6.243  11.690
  606   HH21  ARG  76          1HH2      ARG  76   2.981  -9.432  10.247
  607   HH22  ARG  76          2HH2      ARG  76   2.271  -8.391  11.442
  608    H    ALA  77           H        ALA  77   4.628  -9.787   4.852
  609    HA   ALA  77           HA       ALA  77   6.487 -11.864   5.571
  610    HB1  ALA  77           1HB      ALA  77   4.080 -12.142   5.939
  611    HB2  ALA  77           2HB      ALA  77   4.708 -13.396   4.869
  612    HB3  ALA  77           3HB      ALA  77   3.799 -12.041   4.201
  613    H    VAL  78           H        VAL  78   8.149 -11.092   4.108
  614    HA   VAL  78           HA       VAL  78   7.934 -10.931   1.342
  615    HB   VAL  78           HB       VAL  78  10.393 -11.200   1.291
  616   HG11  VAL  78          1HG1      VAL  78   9.431  -9.021   1.751
  617   HG12  VAL  78          2HG1      VAL  78  10.911  -9.244   2.684
  618   HG13  VAL  78          3HG1      VAL  78   9.341  -9.403   3.472
  619   HG21  VAL  78          3HG2      VAL  78  10.653 -12.891   3.017
  620   HG22  VAL  78          1HG2      VAL  78  10.085 -11.754   4.241
  621   HG23  VAL  78          2HG2      VAL  78  11.614 -11.464   3.410
  622    H    LYS  79           H        LYS  79   8.003 -13.713   3.337
  623    HA   LYS  79           HA       LYS  79   9.096 -15.623   1.610
  624    HB2  LYS  79           2HB      LYS  79   7.018 -15.893   3.781
  625    HB3  LYS  79           1HB      LYS  79   7.724 -17.266   2.938
  626    HG2  LYS  79           2HG      LYS  79   9.949 -16.571   3.719
  627    HG3  LYS  79           1HG      LYS  79   9.202 -15.249   4.617
  628    HD2  LYS  79           2HD      LYS  79   7.932 -16.867   5.940
  629    HD3  LYS  79           1HD      LYS  79   8.656 -18.191   5.026
  630    HE2  LYS  79           2HE      LYS  79  10.181 -16.203   6.706
  631    HE3  LYS  79           1HE      LYS  79   9.737 -17.828   7.219
  632    HZ1  LYS  79           3HZ      LYS  79  12.025 -17.698   6.406
  633    HZ2  LYS  79           1HZ      LYS  79  11.469 -17.191   4.893
  634    HZ3  LYS  79           2HZ      LYS  79  11.090 -18.737   5.456
  635    H    ASN  80           H        ASN  80   6.018 -14.024   1.544
  636    HA   ASN  80           HA       ASN  80   4.541 -15.908   0.059
  637    HB2  ASN  80           2HB      ASN  80   4.348 -12.900   0.080
  638    HB3  ASN  80           1HB      ASN  80   3.188 -13.965  -0.703
  639   HD21  ASN  80          1HD2      ASN  80   2.698 -12.075   1.349
  640   HD22  ASN  80          2HD2      ASN  80   2.076 -12.959   2.690
  641    H    SER  81           H        SER  81   6.821 -13.431  -0.825
  642    HA   SER  81           HA       SER  81   8.161 -13.153  -2.611
  643    HB2  SER  81           2HB      SER  81   7.022 -15.750  -3.649
  644    HB3  SER  81           1HB      SER  81   8.518 -14.973  -4.168
  645    HG   SER  81           HG       SER  81   7.922 -16.226  -1.711
  646    H    SER  82           H        SER  82   5.208 -14.604  -4.011
  647    HA   SER  82           HA       SER  82   5.564 -13.099  -6.388
  648    HB2  SER  82           2HB      SER  82   3.217 -14.798  -5.523
  649    HB3  SER  82           1HB      SER  82   3.572 -14.273  -7.169
  650    HG   SER  82           HG       SER  82   5.261 -15.628  -7.265
  651    H    VAL  83           H        VAL  83   3.887 -12.401  -3.475
  652    HA   VAL  83           HA       VAL  83   1.877 -10.794  -4.812
  653    HB   VAL  83           HB       VAL  83   1.148 -12.034  -2.875
  654   HG11  VAL  83          1HG1      VAL  83   3.321 -10.570  -1.411
  655   HG12  VAL  83          2HG1      VAL  83   3.152 -12.304  -1.655
  656   HG13  VAL  83          3HG1      VAL  83   2.022 -11.452  -0.603
  657   HG21  VAL  83          3HG2      VAL  83   0.035  -9.913  -3.224
  658   HG22  VAL  83          1HG2      VAL  83   1.268  -9.080  -2.280
  659   HG23  VAL  83          2HG2      VAL  83   0.189 -10.232  -1.496
  660    H    GLN  84           H        GLN  84   1.962  -8.695  -5.149
  661    HA   GLN  84           HA       GLN  84   4.049  -7.089  -3.822
  662    HB2  GLN  84           2HB      GLN  84   3.265  -6.914  -6.743
  663    HB3  GLN  84           1HB      GLN  84   4.492  -5.950  -5.937
  664    HG2  GLN  84           2HG      GLN  84   4.632  -8.937  -6.253
  665    HG3  GLN  84           1HG      GLN  84   5.373  -7.787  -7.361
  666   HE21  GLN  84          1HE2      GLN  84   6.596  -9.843  -5.706
  667   HE22  GLN  84          2HE2      GLN  84   7.744  -9.029  -4.705
  668    H    PHE  85           H        PHE  85   3.384  -5.076  -3.161
  669    HA   PHE  85           HA       PHE  85   0.616  -4.340  -3.821
  670    HB2  PHE  85           2HB      PHE  85   2.332  -3.614  -1.452
  671    HB3  PHE  85           1HB      PHE  85   0.815  -2.804  -1.813
  672    HD1  PHE  85           2HD      PHE  85  -0.917  -5.010  -2.615
  673    HD2  PHE  85           1HD      PHE  85   1.993  -4.807   0.481
  674    HE1  PHE  85           2HE      PHE  85  -2.135  -6.745  -1.365
  675    HE2  PHE  85           1HE      PHE  85   0.780  -6.537   1.738
  676    HZ   PHE  85           HZ       PHE  85  -1.284  -7.510   0.820
  677    H    HIS  86           H        HIS  86   0.269  -2.672  -5.069
  678    HA   HIS  86           HA       HIS  86   2.476  -0.787  -5.568
  679    HB2  HIS  86           2HB      HIS  86  -0.005  -1.395  -7.199
  680    HB3  HIS  86           1HB      HIS  86   1.172  -0.152  -7.604
  681    HD1  HIS  86           1HD      HIS  86   2.861  -0.882  -9.249
  682    HD2  HIS  86           2HD      HIS  86   1.351  -4.077  -7.064
  683    HE1  HIS  86           1HE      HIS  86   3.964  -2.935 -10.194
  684    HE2  HIS  86           2HE      HIS  86   2.874  -4.870  -8.998
  685    H    VAL  87           H        VAL  87   2.292   0.901  -4.169
  686    HA   VAL  87           HA       VAL  87  -0.402   1.796  -3.473
  687    HB   VAL  87           HB       VAL  87   2.307   2.505  -2.351
  688   HG11  VAL  87          1HG1      VAL  87   1.134   3.942  -0.744
  689   HG12  VAL  87          2HG1      VAL  87  -0.374   3.672  -1.620
  690   HG13  VAL  87          3HG1      VAL  87   0.957   4.528  -2.398
  691   HG21  VAL  87          3HG2      VAL  87  -0.109   1.201  -1.111
  692   HG22  VAL  87          1HG2      VAL  87   1.415   1.542  -0.295
  693   HG23  VAL  87          2HG2      VAL  87   1.363   0.373  -1.616
  694    H    ILE  88           H        ILE  88  -1.293   3.215  -4.766
  695    HA   ILE  88           HA       ILE  88   0.451   5.049  -6.254
  696    HB   ILE  88           HB       ILE  88  -2.389   4.215  -6.856
  697   HG12  ILE  88          2HG1      ILE  88   0.198   3.507  -8.261
  698   HG13  ILE  88          1HG1      ILE  88  -0.675   2.435  -7.168
  699   HG21  ILE  88          1HG2      ILE  88  -2.057   5.370  -8.993
  700   HG22  ILE  88          2HG2      ILE  88  -0.469   5.913  -8.448
  701   HG23  ILE  88          3HG2      ILE  88  -1.925   6.477  -7.627
  702   HD11  ILE  88          3HD1      ILE  88  -1.114   1.870  -9.482
  703   HD12  ILE  88          1HD1      ILE  88  -1.701   3.504  -9.786
  704   HD13  ILE  88          2HD1      ILE  88  -2.583   2.441  -8.689
  705    H    PHE  89           H        PHE  89   0.166   7.189  -6.152
  706    HA   PHE  89           HA       PHE  89  -1.510   8.115  -3.943
  707    HB2  PHE  89           2HB      PHE  89   0.978   9.234  -5.223
  708    HB3  PHE  89           1HB      PHE  89   0.038  10.089  -4.006
  709    HD1  PHE  89           2HD      PHE  89  -0.511   8.718  -1.871
  710    HD2  PHE  89           1HD      PHE  89   2.701   7.873  -4.522
  711    HE1  PHE  89           2HE      PHE  89   0.604   7.433  -0.104
  712    HE2  PHE  89           1HE      PHE  89   3.817   6.574  -2.758
  713    HZ   PHE  89           HZ       PHE  89   2.748   6.360  -0.557
  714    H    ASP  90           H        ASP  90  -3.418   8.895  -4.665
  715    HA   ASP  90           HA       ASP  90  -3.697  10.004  -7.305
  716    HB2  ASP  90           2HB      ASP  90  -5.642   9.904  -4.988
  717    HB3  ASP  90           1HB      ASP  90  -6.037  10.519  -6.586
  718    H    GLU  91           H        GLU  91  -3.091  11.962  -7.838
  719    HA   GLU  91           HA       GLU  91  -2.678  13.978  -5.802
  720    HB2  GLU  91           2HB      GLU  91  -1.675  15.310  -7.585
  721    HB3  GLU  91           1HB      GLU  91  -0.990  13.695  -7.558
  722    HG2  GLU  91           2HG      GLU  91  -3.199  14.465  -9.439
  723    HG3  GLU  91           1HG      GLU  91  -1.499  14.722  -9.820
  724    H    GLU  92           H        GLU  92  -3.897  15.761  -5.486
  725    HA   GLU  92           HA       GLU  92  -6.140  16.283  -7.282
  726    HB2  GLU  92           2HB      GLU  92  -6.390  15.722  -4.325
  727    HB3  GLU  92           1HB      GLU  92  -7.672  16.426  -5.301
  728    HG2  GLU  92           2HG      GLU  92  -7.827  14.412  -6.610
  729    HG3  GLU  92           1HG      GLU  92  -6.436  13.722  -5.768
  Start of MODEL   16
    1    H1   GLY   1           1HT      GLY   1  -2.069  -9.943 -17.658
    2    H2   GLY   1           2HT      GLY   1  -1.569  -8.369 -18.009
    3    H3   GLY   1           3HT      GLY   1  -3.208  -8.768 -18.079
    4    HA2  GLY   1           1HA      GLY   1  -1.525  -8.720 -15.644
    5    HA3  GLY   1           2HA      GLY   1  -2.745  -7.531 -16.077
    6    H    SER   2           H        SER   2  -4.967  -8.156 -16.053
    7    HA   SER   2           HA       SER   2  -5.648  -9.562 -13.743
    8    HB2  SER   2           2HB      SER   2  -7.441  -8.920 -16.093
    9    HB3  SER   2           1HB      SER   2  -7.965  -9.266 -14.446
   10    HG   SER   2           HG       SER   2  -7.053  -7.372 -13.751
   11    H    ALA   3           H        ALA   3  -5.696 -10.629 -17.124
   12    HA   ALA   3           HA       ALA   3  -6.803 -13.202 -16.387
   13    HB1  ALA   3           1HB      ALA   3  -7.432 -12.128 -18.512
   14    HB2  ALA   3           2HB      ALA   3  -6.717 -13.722 -18.750
   15    HB3  ALA   3           3HB      ALA   3  -5.762 -12.271 -19.060
   16    H    MET   4           H        MET   4  -5.646 -14.823 -15.687
   17    HA   MET   4           HA       MET   4  -4.048 -16.406 -15.495
   18    HB2  MET   4           2HB      MET   4  -3.724 -16.387 -17.887
   19    HB3  MET   4           1HB      MET   4  -2.703 -14.962 -17.778
   20    HG2  MET   4           2HG      MET   4  -1.390 -16.980 -18.118
   21    HG3  MET   4           1HG      MET   4  -1.022 -16.224 -16.571
   22    HE1  MET   4           3HE      MET   4  -4.185 -18.425 -17.469
   23    HE2  MET   4           1HE      MET   4  -3.595 -20.030 -17.043
   24    HE3  MET   4           2HE      MET   4  -2.871 -19.155 -18.391
   25    H    GLY   5           H        GLY   5  -2.429 -13.265 -16.080
   26    HA2  GLY   5           2HA      GLY   5  -0.180 -13.886 -14.492
   27    HA3  GLY   5           1HA      GLY   5  -0.658 -12.279 -15.001
   28    H    HIS   6           H        HIS   6  -3.115 -12.070 -13.721
   29    HA   HIS   6           HA       HIS   6  -2.233 -11.459 -11.061
   30    HB2  HIS   6           2HB      HIS   6  -3.776 -10.004 -12.386
   31    HB3  HIS   6           1HB      HIS   6  -5.013 -11.245 -12.242
   32    HD1  HIS   6           1HD      HIS   6  -3.084  -8.756 -10.135
   33    HD2  HIS   6           2HD      HIS   6  -6.459 -11.190  -9.910
   34    HE1  HIS   6           1HE      HIS   6  -4.275  -8.089  -8.024
   35    HE2  HIS   6           2HE      HIS   6  -6.212  -9.686  -7.826
   36    H    MET   7           H        MET   7  -1.757 -13.878 -10.842
   37    HA   MET   7           HA       MET   7  -3.614 -14.885  -8.937
   38    HB2  MET   7           2HB      MET   7  -4.755 -15.691 -10.936
   39    HB3  MET   7           1HB      MET   7  -3.280 -16.462 -11.495
   40    HG2  MET   7           2HG      MET   7  -3.338 -18.008  -9.644
   41    HG3  MET   7           1HG      MET   7  -4.747 -17.191  -8.970
   42    HE1  MET   7           3HE      MET   7  -4.828 -19.438 -13.004
   43    HE2  MET   7           1HE      MET   7  -3.371 -19.240 -12.031
   44    HE3  MET   7           2HE      MET   7  -4.116 -17.838 -12.801
   45    HA   PRO   8           HA       PRO   8   0.441 -17.510  -8.895
   46    HB2  PRO   8           2HB      PRO   8   2.275 -17.025 -10.848
   47    HB3  PRO   8           1HB      PRO   8   1.071 -18.313 -10.962
   48    HG2  PRO   8           2HG      PRO   8   1.030 -15.572 -12.164
   49    HG3  PRO   8           1HG      PRO   8   0.591 -17.123 -12.904
   50    HD2  PRO   8           2HD      PRO   8  -1.271 -15.418 -11.976
   51    HD3  PRO   8           1HD      PRO   8  -1.475 -17.177 -11.873
   52    H    ALA   9           H        ALA   9   0.669 -14.366 -10.485
   53    HA   ALA   9           HA       ALA   9   2.430 -13.438  -8.322
   54    HB1  ALA   9           1HB      ALA   9   2.007 -12.254 -11.069
   55    HB2  ALA   9           2HB      ALA   9   3.407 -13.196 -10.555
   56    HB3  ALA   9           3HB      ALA   9   3.089 -11.622  -9.826
   57    H    VAL  10           H        VAL  10   1.404 -12.330  -6.820
   58    HA   VAL  10           HA       VAL  10  -1.242 -11.248  -7.392
   59    HB   VAL  10           HB       VAL  10   0.214 -11.470  -4.749
   60   HG11  VAL  10          1HG1      VAL  10  -2.008 -11.117  -3.754
   61   HG12  VAL  10          2HG1      VAL  10  -2.675 -10.853  -5.363
   62   HG13  VAL  10          3HG1      VAL  10  -1.481  -9.732  -4.708
   63   HG21  VAL  10          3HG2      VAL  10  -1.261 -13.379  -4.314
   64   HG22  VAL  10          1HG2      VAL  10  -0.211 -13.664  -5.701
   65   HG23  VAL  10          2HG2      VAL  10  -1.906 -13.247  -5.949
   66    H    ASP  11           H        ASP  11  -1.419  -9.199  -7.982
   67    HA   ASP  11           HA       ASP  11   0.397  -7.247  -6.752
   68    HB2  ASP  11           2HB      ASP  11   0.424  -5.934  -8.764
   69    HB3  ASP  11           1HB      ASP  11   0.844  -7.584  -9.201
   70    H    VAL  12           H        VAL  12  -0.602  -5.895  -5.475
   71    HA   VAL  12           HA       VAL  12  -3.473  -5.387  -5.924
   72    HB   VAL  12           HB       VAL  12  -2.018  -5.653  -3.289
   73   HG11  VAL  12          1HG1      VAL  12  -4.915  -5.028  -3.834
   74   HG12  VAL  12          2HG1      VAL  12  -3.717  -3.918  -3.168
   75   HG13  VAL  12          3HG1      VAL  12  -4.209  -5.341  -2.248
   76   HG21  VAL  12          3HG2      VAL  12  -4.160  -7.363  -4.542
   77   HG22  VAL  12          1HG2      VAL  12  -3.480  -7.584  -2.930
   78   HG23  VAL  12          2HG2      VAL  12  -2.462  -7.797  -4.355
   79    H    GLU  13           H        GLU  13  -4.028  -3.293  -6.141
   80    HA   GLU  13           HA       GLU  13  -1.878  -1.353  -5.701
   81    HB2  GLU  13           2HB      GLU  13  -3.020   0.057  -7.391
   82    HB3  GLU  13           1HB      GLU  13  -2.466  -1.481  -8.027
   83    HG2  GLU  13           2HG      GLU  13  -5.303  -0.968  -7.173
   84    HG3  GLU  13           1HG      GLU  13  -4.718  -0.712  -8.814
   85    H    ILE  14           H        ILE  14  -2.087  -0.217  -3.945
   86    HA   ILE  14           HA       ILE  14  -4.777   0.528  -3.013
   87    HB   ILE  14           HB       ILE  14  -2.266   1.098  -1.449
   88   HG12  ILE  14          2HG1      ILE  14  -3.761  -1.545  -1.435
   89   HG13  ILE  14          1HG1      ILE  14  -2.131  -1.304  -2.051
   90   HG21  ILE  14          1HG2      ILE  14  -4.367   2.066  -0.720
   91   HG22  ILE  14          2HG2      ILE  14  -3.798   0.868   0.441
   92   HG23  ILE  14          3HG2      ILE  14  -5.107   0.466  -0.671
   93   HD11  ILE  14          3HD1      ILE  14  -3.042  -1.059   0.818
   94   HD12  ILE  14          1HD1      ILE  14  -1.418  -0.659   0.243
   95   HD13  ILE  14          2HD1      ILE  14  -2.011  -2.315   0.124
   96    H    HIS  15           H        HIS  15  -5.445   2.615  -3.243
   97    HA   HIS  15           HA       HIS  15  -3.484   4.501  -4.358
   98    HB2  HIS  15           2HB      HIS  15  -6.493   4.445  -4.523
   99    HB3  HIS  15           1HB      HIS  15  -5.496   5.747  -5.158
  100    HD1  HIS  15           1HD      HIS  15  -6.471   2.191  -5.810
  101    HD2  HIS  15           2HD      HIS  15  -4.186   5.194  -7.553
  102    HE1  HIS  15           1HE      HIS  15  -5.959   1.385  -8.135
  103    HE2  HIS  15           2HE      HIS  15  -4.740   3.303  -9.226
  104    H    PHE  16           H        PHE  16  -2.633   5.801  -2.904
  105    HA   PHE  16           HA       PHE  16  -4.350   6.759  -0.713
  106    HB2  PHE  16           2HB      PHE  16  -1.341   6.538  -0.916
  107    HB3  PHE  16           1HB      PHE  16  -2.161   7.378   0.386
  108    HD1  PHE  16           2HD      PHE  16  -4.473   5.251   0.482
  109    HD2  PHE  16           1HD      PHE  16  -0.228   5.029   0.567
  110    HE1  PHE  16           2HE      PHE  16  -4.611   3.150   1.749
  111    HE2  PHE  16           1HE      PHE  16  -0.358   2.928   1.836
  112    HZ   PHE  16           HZ       PHE  16  -2.553   1.986   2.431
  113    HA   PRO  17           HA       PRO  17  -4.223  10.693  -2.917
  114    HB2  PRO  17           2HB      PRO  17  -5.437  11.595  -0.365
  115    HB3  PRO  17           1HB      PRO  17  -6.004  11.825  -2.022
  116    HG2  PRO  17           2HG      PRO  17  -7.214  10.098  -0.398
  117    HG3  PRO  17           1HG      PRO  17  -6.991   9.731  -2.119
  118    HD2  PRO  17           2HD      PRO  17  -5.454   8.724   0.250
  119    HD3  PRO  17           1HD      PRO  17  -5.983   7.852  -1.204
  120    H    LEU  18           H        LEU  18  -2.444  11.797  -2.978
  121    HA   LEU  18           HA       LEU  18  -0.313  11.642  -1.242
  122    HB2  LEU  18           2HB      LEU  18  -0.623  12.584  -3.692
  123    HB3  LEU  18           1HB      LEU  18  -0.750  14.119  -2.864
  124    HG   LEU  18           HG       LEU  18   1.630  12.279  -2.603
  125   HD11  LEU  18          1HD1      LEU  18   1.395  12.997  -4.913
  126   HD12  LEU  18          2HD1      LEU  18   2.767  13.796  -4.143
  127   HD13  LEU  18          3HD1      LEU  18   1.260  14.677  -4.389
  128   HD21  LEU  18          3HD2      LEU  18   2.757  14.263  -1.745
  129   HD22  LEU  18          1HD2      LEU  18   1.356  13.861  -0.755
  130   HD23  LEU  18          2HD2      LEU  18   1.267  15.192  -1.907
  131    H    LYS  19           H        LYS  19  -2.954  13.931  -1.282
  132    HA   LYS  19           HA       LYS  19  -1.826  15.767   0.569
  133    HB2  LYS  19           2HB      LYS  19  -4.139  16.700   0.639
  134    HB3  LYS  19           1HB      LYS  19  -3.495  16.533  -0.988
  135    HG2  LYS  19           2HG      LYS  19  -4.785  14.478  -1.288
  136    HG3  LYS  19           1HG      LYS  19  -5.420  14.639   0.347
  137    HD2  LYS  19           2HD      LYS  19  -7.061  15.427  -1.224
  138    HD3  LYS  19           1HD      LYS  19  -6.442  16.806  -0.317
  139    HE2  LYS  19           2HE      LYS  19  -4.961  17.327  -2.203
  140    HE3  LYS  19           1HE      LYS  19  -5.627  15.946  -3.070
  141    HZ1  LYS  19           3HZ      LYS  19  -7.801  17.001  -3.005
  142    HZ2  LYS  19           1HZ      LYS  19  -6.668  17.987  -3.788
  143    HZ3  LYS  19           2HZ      LYS  19  -7.150  18.338  -2.203
  144    H    ARG  20           H        ARG  20  -3.780  12.872   0.927
  145    HA   ARG  20           HA       ARG  20  -4.484  13.589   3.672
  146    HB2  ARG  20           2HB      ARG  20  -5.270  11.243   1.952
  147    HB3  ARG  20           1HB      ARG  20  -5.786  11.460   3.616
  148    HG2  ARG  20           2HG      ARG  20  -6.402  13.335   1.347
  149    HG3  ARG  20           1HG      ARG  20  -7.480  12.106   2.006
  150    HD2  ARG  20           2HD      ARG  20  -8.099  14.199   2.955
  151    HD3  ARG  20           1HD      ARG  20  -7.337  13.228   4.204
  152    HE   ARG  20           HE       ARG  20  -5.932  15.403   2.788
  153   HH11  ARG  20          1HH1      ARG  20  -6.775  13.670   5.718
  154   HH12  ARG  20          2HH1      ARG  20  -5.840  14.715   6.747
  155   HH21  ARG  20          1HH2      ARG  20  -4.720  16.786   4.143
  156   HH22  ARG  20          2HH2      ARG  20  -4.676  16.492   5.854
  157    H    ILE  21           H        ILE  21  -2.601  11.182   1.914
  158    HA   ILE  21           HA       ILE  21  -2.112   9.603   4.234
  159    HB   ILE  21           HB       ILE  21  -2.002   8.590   2.021
  160   HG12  ILE  21          2HG1      ILE  21   0.119   7.364   2.219
  161   HG13  ILE  21          1HG1      ILE  21   0.726   8.583   3.334
  162   HG21  ILE  21          1HG2      ILE  21  -0.140   9.067   0.485
  163   HG22  ILE  21          2HG2      ILE  21   0.373  10.380   1.547
  164   HG23  ILE  21          3HG2      ILE  21  -1.190  10.462   0.734
  165   HD11  ILE  21          3HD1      ILE  21  -1.637   6.787   3.827
  166   HD12  ILE  21          1HD1      ILE  21  -0.969   7.970   4.953
  167   HD13  ILE  21          2HD1      ILE  21  -0.014   6.566   4.482
  168    H    ALA  22           H        ALA  22  -0.749  12.425   2.859
  169    HA   ALA  22           HA       ALA  22   1.824  12.340   4.038
  170    HB1  ALA  22           1HB      ALA  22   1.269  13.778   2.134
  171    HB2  ALA  22           2HB      ALA  22   1.946  14.696   3.478
  172    HB3  ALA  22           3HB      ALA  22   0.209  14.729   3.174
  173    H    ALA  23           H        ALA  23  -1.315  13.146   5.188
  174    HA   ALA  23           HA       ALA  23  -0.416  14.770   7.404
  175    HB1  ALA  23           1HB      ALA  23  -3.161  13.688   6.770
  176    HB2  ALA  23           2HB      ALA  23  -2.534  15.258   6.268
  177    HB3  ALA  23           3HB      ALA  23  -2.778  14.912   7.980
  178    H    GLU  24           H        GLU  24  -0.882  14.242   9.615
  179    HA   GLU  24           HA       GLU  24  -0.089  11.526  10.200
  180    HB2  GLU  24           2HB      GLU  24  -0.586  13.881  12.032
  181    HB3  GLU  24           1HB      GLU  24   0.086  12.335  12.533
  182    HG2  GLU  24           2HG      GLU  24   2.013  12.692  11.086
  183    HG3  GLU  24           1HG      GLU  24   1.338  14.232  10.559
  184    H    GLY  25           H        GLY  25  -2.927  13.534  10.470
  185    HA2  GLY  25           2HA      GLY  25  -4.354  11.485  11.992
  186    HA3  GLY  25           1HA      GLY  25  -4.956  13.086  11.590
  187    H    TYR  26           H        TYR  26  -3.681  10.402   9.638
  188    HA   TYR  26           HA       TYR  26  -5.522  10.981   7.535
  189    HB2  TYR  26           2HB      TYR  26  -4.527   8.951   6.440
  190    HB3  TYR  26           1HB      TYR  26  -3.352  10.173   6.925
  191    HD1  TYR  26           2HD      TYR  26  -4.922   7.049   8.288
  192    HD2  TYR  26           1HD      TYR  26  -1.444   9.480   8.020
  193    HE1  TYR  26           2HE      TYR  26  -3.654   5.360   9.542
  194    HE2  TYR  26           1HE      TYR  26  -0.168   7.795   9.270
  195    HH   TYR  26           HH       TYR  26  -0.577   5.958  10.847
  196    H    ALA  27           H        ALA  27  -5.690   9.046  10.340
  197    HA   ALA  27           HA       ALA  27  -7.356   6.958   9.390
  198    HB1  ALA  27           1HB      ALA  27  -7.102   8.022  12.198
  199    HB2  ALA  27           2HB      ALA  27  -6.072   6.789  11.472
  200    HB3  ALA  27           3HB      ALA  27  -7.785   6.467  11.728
  201    H    GLU  28           H        GLU  28  -7.954  10.227   9.953
  202    HA   GLU  28           HA       GLU  28 -10.726   9.999  10.639
  203    HB2  GLU  28           2HB      GLU  28  -9.260  11.968  11.189
  204    HB3  GLU  28           1HB      GLU  28  -9.270  12.383   9.481
  205    HG2  GLU  28           2HG      GLU  28 -10.873  13.726  10.673
  206    HG3  GLU  28           1HG      GLU  28 -11.710  12.632   9.571
  207    H    ASP  29           H        ASP  29  -8.869   9.901   7.738
  208    HA   ASP  29           HA       ASP  29 -11.028  10.775   6.042
  209    HB2  ASP  29           2HB      ASP  29  -8.170   9.962   5.555
  210    HB3  ASP  29           1HB      ASP  29  -9.315  10.120   4.219
  211    H    GLU  30           H        GLU  30 -12.627   9.517   5.547
  212    HA   GLU  30           HA       GLU  30 -12.651   6.750   6.062
  213    HB2  GLU  30           2HB      GLU  30 -14.642   8.233   6.162
  214    HB3  GLU  30           1HB      GLU  30 -14.613   8.334   4.407
  215    HG2  GLU  30           2HG      GLU  30 -15.064   5.996   4.198
  216    HG3  GLU  30           1HG      GLU  30 -14.887   5.760   5.935
  217    H    LEU  31           H        LEU  31 -11.876   8.564   3.186
  218    HA   LEU  31           HA       LEU  31 -12.226   6.654   1.203
  219    HB2  LEU  31           2HB      LEU  31 -10.119   7.669   0.200
  220    HB3  LEU  31           1HB      LEU  31 -11.483   8.750   0.441
  221    HG   LEU  31           HG       LEU  31 -10.070   9.120   2.736
  222   HD11  LEU  31          1HD1      LEU  31  -8.038   8.642   0.559
  223   HD12  LEU  31          2HD1      LEU  31  -8.323   7.565   1.924
  224   HD13  LEU  31          3HD1      LEU  31  -7.713   9.202   2.202
  225   HD21  LEU  31          3HD2      LEU  31 -10.926  10.855   1.221
  226   HD22  LEU  31          1HD2      LEU  31  -9.594  10.533   0.112
  227   HD23  LEU  31          2HD2      LEU  31  -9.267  11.179   1.721
  228    H    LEU  32           H        LEU  32  -9.717   7.052   3.546
  229    HA   LEU  32           HA       LEU  32  -7.886   5.208   2.446
  230    HB2  LEU  32           2HB      LEU  32  -7.552   7.300   3.780
  231    HB3  LEU  32           1HB      LEU  32  -8.100   6.417   5.190
  232    HG   LEU  32           HG       LEU  32  -6.184   4.819   4.726
  233   HD11  LEU  32          1HD1      LEU  32  -4.300   5.758   3.485
  234   HD12  LEU  32          2HD1      LEU  32  -5.298   7.141   3.036
  235   HD13  LEU  32          3HD1      LEU  32  -5.708   5.528   2.450
  236   HD21  LEU  32          3HD2      LEU  32  -5.626   7.654   5.521
  237   HD22  LEU  32          1HD2      LEU  32  -4.575   6.279   5.857
  238   HD23  LEU  32          2HD2      LEU  32  -6.181   6.357   6.580
  239    H    LEU  33           H        LEU  33 -10.468   5.162   4.770
  240    HA   LEU  33           HA       LEU  33 -10.030   2.546   5.796
  241    HB2  LEU  33           2HB      LEU  33 -11.493   4.418   6.758
  242    HB3  LEU  33           1HB      LEU  33 -12.684   3.963   5.562
  243    HG   LEU  33           HG       LEU  33 -11.627   1.987   7.578
  244   HD11  LEU  33          1HD1      LEU  33 -13.603   2.493   8.934
  245   HD12  LEU  33          2HD1      LEU  33 -14.003   3.824   7.850
  246   HD13  LEU  33          3HD1      LEU  33 -12.525   3.880   8.809
  247   HD21  LEU  33          3HD2      LEU  33 -13.751   0.853   7.132
  248   HD22  LEU  33          1HD2      LEU  33 -12.810   1.051   5.655
  249   HD23  LEU  33          2HD2      LEU  33 -14.183   2.110   5.972
  250    H    ASN  34           H        ASN  34 -12.051   3.890   3.196
  251    HA   ASN  34           HA       ASN  34 -13.154   1.465   2.294
  252    HB2  ASN  34           2HB      ASN  34 -12.590   4.057   0.852
  253    HB3  ASN  34           1HB      ASN  34 -13.356   2.688   0.056
  254   HD21  ASN  34          1HD2      ASN  34 -13.741   5.304   2.240
  255   HD22  ASN  34          2HD2      ASN  34 -15.444   5.124   2.495
  256    H    GLN  35           H        GLN  35 -10.131   3.087   1.520
  257    HA   GLN  35           HA       GLN  35  -9.362   1.436  -0.609
  258    HB2  GLN  35           2HB      GLN  35  -7.893   3.202   1.298
  259    HB3  GLN  35           1HB      GLN  35  -7.006   2.203   0.151
  260    HG2  GLN  35           2HG      GLN  35  -7.676   3.403  -1.635
  261    HG3  GLN  35           1HG      GLN  35  -9.229   3.814  -0.921
  262   HE21  GLN  35          1HE2      GLN  35  -9.020   5.968  -1.480
  263   HE22  GLN  35          2HE2      GLN  35  -7.864   7.015  -0.740
  264    H    MET  36           H        MET  36  -8.618   1.292   2.856
  265    HA   MET  36           HA       MET  36  -7.399  -1.332   2.469
  266    HB2  MET  36           2HB      MET  36  -7.579   0.386   4.950
  267    HB3  MET  36           1HB      MET  36  -6.732  -1.151   4.839
  268    HG2  MET  36           2HG      MET  36  -6.057   1.449   3.505
  269    HG3  MET  36           1HG      MET  36  -5.085   0.507   4.634
  270    HE1  MET  36           3HE      MET  36  -5.221  -2.340   3.752
  271    HE2  MET  36           1HE      MET  36  -3.569  -1.723   3.796
  272    HE3  MET  36           2HE      MET  36  -4.141  -2.607   2.383
  273    H    GLY  37           H        GLY  37 -10.398  -0.404   2.556
  274    HA2  GLY  37           2HA      GLY  37 -11.264  -2.768   4.070
  275    HA3  GLY  37           1HA      GLY  37 -12.323  -1.520   3.419
  276    H    LYS  38           H        LYS  38 -10.738  -1.499   0.921
  277    HA   LYS  38           HA       LYS  38 -12.193  -3.558  -0.476
  278    HB2  LYS  38           2HB      LYS  38 -11.917  -1.284  -1.412
  279    HB3  LYS  38           1HB      LYS  38 -10.178  -1.554  -1.497
  280    HG2  LYS  38           2HG      LYS  38 -10.630  -3.478  -3.021
  281    HG3  LYS  38           1HG      LYS  38 -12.327  -3.001  -3.036
  282    HD2  LYS  38           2HD      LYS  38 -11.700  -0.816  -3.947
  283    HD3  LYS  38           1HD      LYS  38 -10.002  -1.299  -3.934
  284    HE2  LYS  38           2HE      LYS  38 -12.211  -2.610  -5.517
  285    HE3  LYS  38           1HE      LYS  38 -10.969  -1.541  -6.162
  286    HZ1  LYS  38           3HZ      LYS  38 -10.429  -3.862  -6.550
  287    HZ2  LYS  38           1HZ      LYS  38 -10.483  -4.182  -4.892
  288    HZ3  LYS  38           2HZ      LYS  38  -9.291  -3.160  -5.521
  289    H    VAL  39           H        VAL  39  -8.747  -2.612  -0.450
  290    HA   VAL  39           HA       VAL  39  -8.117  -5.298  -1.472
  291    HB   VAL  39           HB       VAL  39  -5.948  -4.315  -2.158
  292   HG11  VAL  39          1HG1      VAL  39  -7.763  -4.412  -3.754
  293   HG12  VAL  39          2HG1      VAL  39  -6.838  -2.929  -3.989
  294   HG13  VAL  39          3HG1      VAL  39  -8.396  -2.876  -3.166
  295   HG21  VAL  39          3HG2      VAL  39  -5.735  -2.550  -0.521
  296   HG22  VAL  39          1HG2      VAL  39  -7.159  -1.736  -1.169
  297   HG23  VAL  39          2HG2      VAL  39  -5.697  -1.859  -2.145
  298    H    ASN  40           H        ASN  40  -8.654  -5.368   1.142
  299    HA   ASN  40           HA       ASN  40  -6.031  -5.602   2.426
  300    HB2  ASN  40           2HB      ASN  40  -7.047  -3.383   2.935
  301    HB3  ASN  40           1HB      ASN  40  -8.397  -4.221   3.687
  302   HD21  ASN  40          1HD2      ASN  40  -5.019  -5.133   3.864
  303   HD22  ASN  40          2HD2      ASN  40  -4.859  -4.908   5.562
  304    H    ASP  41           H        ASP  41  -9.207  -6.738   1.956
  305    HA   ASP  41           HA       ASP  41  -9.487  -8.195   4.391
  306    HB2  ASP  41           2HB      ASP  41 -11.445  -7.485   3.099
  307    HB3  ASP  41           1HB      ASP  41 -10.931  -8.483   1.743
  308    H    THR  42           H        THR  42  -8.392  -8.958   1.126
  309    HA   THR  42           HA       THR  42  -7.249 -11.445   2.203
  310    HB   THR  42           HB       THR  42  -7.498 -12.392  -0.141
  311    HG1  THR  42           1HG      THR  42  -8.270 -11.067  -1.580
  312   HG21  THR  42          3HG2      THR  42  -8.920 -13.126   1.700
  313   HG22  THR  42          1HG2      THR  42  -9.841 -13.048   0.199
  314   HG23  THR  42          2HG2      THR  42 -10.018 -11.776   1.407
  315    HA   PRO  43           HA       PRO  43  -3.913  -8.957   0.189
  316    HB2  PRO  43           2HB      PRO  43  -2.526  -8.194   2.323
  317    HB3  PRO  43           1HB      PRO  43  -4.038  -7.385   1.894
  318    HG2  PRO  43           2HG      PRO  43  -3.483  -9.347   4.058
  319    HG3  PRO  43           1HG      PRO  43  -4.623  -7.992   4.027
  320    HD2  PRO  43           2HD      PRO  43  -5.205 -10.723   3.547
  321    HD3  PRO  43           1HD      PRO  43  -6.294  -9.343   3.313
  322    H    GLU  44           H        GLU  44  -4.210 -11.857   1.460
  323    HA   GLU  44           HA       GLU  44  -3.033 -13.764   1.374
  324    HB2  GLU  44           2HB      GLU  44  -1.964 -12.815  -0.664
  325    HB3  GLU  44           1HB      GLU  44  -0.674 -12.190   0.355
  326    HG2  GLU  44           2HG      GLU  44   0.044 -14.367   0.943
  327    HG3  GLU  44           1HG      GLU  44  -1.397 -15.104   0.251
  328    H    GLU  45           H        GLU  45  -1.221 -11.057   2.784
  329    HA   GLU  45           HA       GLU  45   0.239 -12.746   4.580
  330    HB2  GLU  45           2HB      GLU  45  -0.266  -9.777   4.640
  331    HB3  GLU  45           1HB      GLU  45   0.743 -10.613   5.802
  332    HG2  GLU  45           2HG      GLU  45   2.129 -11.383   3.832
  333    HG3  GLU  45           1HG      GLU  45   1.221 -10.213   2.871
  334    H    GLU  46           H        GLU  46  -1.962 -10.132   5.566
  335    HA   GLU  46           HA       GLU  46  -3.227 -11.953   7.472
  336    HB2  GLU  46           2HB      GLU  46  -1.995  -9.301   8.240
  337    HB3  GLU  46           1HB      GLU  46  -2.951 -10.325   9.300
  338    HG2  GLU  46           2HG      GLU  46  -1.250 -12.084   9.105
  339    HG3  GLU  46           1HG      GLU  46  -0.285 -11.016   8.086
  340    H    GLY  47           H        GLY  47  -3.284  -8.416   7.250
  341    HA2  GLY  47           2HA      GLY  47  -5.402  -7.816   5.736
  342    HA3  GLY  47           1HA      GLY  47  -6.180  -8.505   7.147
  343    H    MET  48           H        MET  48  -6.102  -7.369   9.112
  344    HA   MET  48           HA       MET  48  -6.295  -4.611   8.767
  345    HB2  MET  48           2HB      MET  48  -7.655  -5.739  10.397
  346    HB3  MET  48           1HB      MET  48  -6.234  -6.291  11.270
  347    HG2  MET  48           2HG      MET  48  -6.786  -3.376  10.925
  348    HG3  MET  48           1HG      MET  48  -7.574  -4.310  12.195
  349    HE1  MET  48           3HE      MET  48  -5.517  -1.730  12.250
  350    HE2  MET  48           1HE      MET  48  -4.663  -2.065  13.756
  351    HE3  MET  48           2HE      MET  48  -6.410  -2.288  13.662
  352    HA   PRO  49           HA       PRO  49  -2.145  -4.213  11.151
  353    HB2  PRO  49           2HB      PRO  49  -0.387  -6.277  10.948
  354    HB3  PRO  49           1HB      PRO  49  -1.518  -6.108  12.293
  355    HG2  PRO  49           2HG      PRO  49  -1.662  -7.877   9.907
  356    HG3  PRO  49           1HG      PRO  49  -2.185  -8.185  11.568
  357    HD2  PRO  49           2HD      PRO  49  -3.868  -7.532   9.509
  358    HD3  PRO  49           1HD      PRO  49  -4.227  -7.261  11.214
  359    H    LEU  50           H        LEU  50  -2.489  -6.085   8.280
  360    HA   LEU  50           HA       LEU  50  -0.339  -5.236   6.729
  361    HB2  LEU  50           2HB      LEU  50  -3.093  -6.218   6.262
  362    HB3  LEU  50           1HB      LEU  50  -2.308  -5.435   4.918
  363    HG   LEU  50           HG       LEU  50  -2.203  -8.068   5.407
  364   HD11  LEU  50          1HD1      LEU  50   0.030  -6.413   4.201
  365   HD12  LEU  50          2HD1      LEU  50  -1.475  -6.838   3.386
  366   HD13  LEU  50          3HD1      LEU  50  -0.329  -8.099   3.837
  367   HD21  LEU  50          3HD2      LEU  50   0.389  -7.026   6.543
  368   HD22  LEU  50          1HD2      LEU  50  -0.099  -8.707   6.353
  369   HD23  LEU  50          2HD2      LEU  50  -0.926  -7.675   7.518
  370    H    ARG  51           H        ARG  51  -3.546  -3.862   7.171
  371    HA   ARG  51           HA       ARG  51  -3.244  -1.582   5.599
  372    HB2  ARG  51           2HB      ARG  51  -5.405  -1.973   6.134
  373    HB3  ARG  51           1HB      ARG  51  -5.042  -2.494   7.766
  374    HG2  ARG  51           2HG      ARG  51  -4.712  -0.118   8.387
  375    HG3  ARG  51           1HG      ARG  51  -5.215   0.338   6.756
  376    HD2  ARG  51           2HD      ARG  51  -7.366  -0.742   7.095
  377    HD3  ARG  51           1HD      ARG  51  -6.865  -1.276   8.696
  378    HE   ARG  51           HE       ARG  51  -6.644   1.513   8.591
  379   HH11  ARG  51          1HH1      ARG  51  -9.117  -0.969   8.514
  380   HH12  ARG  51          2HH1      ARG  51 -10.329   0.031   9.248
  381   HH21  ARG  51          1HH2      ARG  51  -8.251   2.835   9.547
  382   HH22  ARG  51          2HH2      ARG  51  -9.832   2.194   9.841
  383    H    ALA  52           H        ALA  52  -2.723  -2.018   9.074
  384    HA   ALA  52           HA       ALA  52  -2.016   0.606   9.654
  385    HB1  ALA  52           1HB      ALA  52  -1.048  -0.263  11.695
  386    HB2  ALA  52           2HB      ALA  52  -1.012  -1.890  11.018
  387    HB3  ALA  52           3HB      ALA  52  -2.559  -1.105  11.342
  388    H    TRP  53           H        TRP  53   0.131  -2.156   8.816
  389    HA   TRP  53           HA       TRP  53   2.452  -0.502   9.011
  390    HB2  TRP  53           2HB      TRP  53   3.744  -2.373   8.549
  391    HB3  TRP  53           1HB      TRP  53   2.321  -3.069   9.295
  392    HD1  TRP  53           HD       TRP  53   1.019  -4.849   7.962
  393    HE1  TRP  53           1HE      TRP  53   1.307  -5.931   5.638
  394    HE3  TRP  53           3HE      TRP  53   4.601  -1.761   6.030
  395    HZ2  TRP  53           2HZ      TRP  53   2.832  -5.550   3.335
  396    HZ3  TRP  53           3HZ      TRP  53   5.436  -2.207   3.759
  397    HH2  TRP  53           HH       TRP  53   4.558  -4.067   2.440
  398    H    VAL  54           H        VAL  54   0.380  -1.528   6.360
  399    HA   VAL  54           HA       VAL  54   2.198  -0.771   4.316
  400    HB   VAL  54           HB       VAL  54   0.083  -2.328   4.246
  401   HG11  VAL  54          1HG1      VAL  54  -1.065   0.306   3.360
  402   HG12  VAL  54          2HG1      VAL  54  -1.606  -0.694   4.708
  403   HG13  VAL  54          3HG1      VAL  54  -1.799  -1.268   3.050
  404   HG21  VAL  54          3HG2      VAL  54   0.034  -2.086   1.788
  405   HG22  VAL  54          1HG2      VAL  54   1.665  -2.157   2.453
  406   HG23  VAL  54          2HG2      VAL  54   0.986  -0.611   1.946
  407    H    ILE  55           H        ILE  55  -0.589   0.827   5.816
  408    HA   ILE  55           HA       ILE  55  -0.371   3.236   4.377
  409    HB   ILE  55           HB       ILE  55  -1.505   2.592   7.092
  410   HG12  ILE  55          2HG1      ILE  55  -2.775   3.204   4.418
  411   HG13  ILE  55          1HG1      ILE  55  -2.602   1.603   5.131
  412   HG21  ILE  55          1HG2      ILE  55  -2.591   4.767   7.069
  413   HG22  ILE  55          2HG2      ILE  55  -1.723   5.196   5.592
  414   HG23  ILE  55          3HG2      ILE  55  -0.835   4.932   7.094
  415   HD11  ILE  55          3HD1      ILE  55  -4.083   2.240   6.944
  416   HD12  ILE  55          1HD1      ILE  55  -4.858   2.479   5.377
  417   HD13  ILE  55          2HD1      ILE  55  -4.228   3.864   6.269
  418    H    LYS  56           H        LYS  56   1.094   2.157   7.422
  419    HA   LYS  56           HA       LYS  56   2.423   4.546   8.064
  420    HB2  LYS  56           2HB      LYS  56   2.257   2.894   9.748
  421    HB3  LYS  56           1HB      LYS  56   2.964   1.659   8.718
  422    HG2  LYS  56           2HG      LYS  56   5.128   2.703   8.870
  423    HG3  LYS  56           1HG      LYS  56   4.448   4.048   9.789
  424    HD2  LYS  56           2HD      LYS  56   3.980   2.655  11.649
  425    HD3  LYS  56           1HD      LYS  56   4.290   1.190  10.718
  426    HE2  LYS  56           2HE      LYS  56   6.113   1.848  12.311
  427    HE3  LYS  56           1HE      LYS  56   6.622   1.631  10.639
  428    HZ1  LYS  56           3HZ      LYS  56   5.971   4.275  11.811
  429    HZ2  LYS  56           1HZ      LYS  56   6.712   3.961  10.320
  430    HZ3  LYS  56           2HZ      LYS  56   7.537   3.636  11.766
  431    H    CYS  57           H        CYS  57   3.571   1.696   6.270
  432    HA   CYS  57           HA       CYS  57   6.173   2.646   5.802
  433    HB2  CYS  57           2HB      CYS  57   5.535   0.286   5.553
  434    HB3  CYS  57           1HB      CYS  57   4.543   0.697   4.160
  435    HG   CYS  57           HG       CYS  57   7.399   1.891   3.385
  436    H    ALA  58           H        ALA  58   3.243   2.803   3.778
  437    HA   ALA  58           HA       ALA  58   4.449   4.137   1.604
  438    HB1  ALA  58           1HB      ALA  58   1.569   4.218   2.498
  439    HB2  ALA  58           2HB      ALA  58   2.285   3.009   1.432
  440    HB3  ALA  58           3HB      ALA  58   2.176   4.690   0.912
  441    H    HIS  59           H        HIS  59   2.990   5.261   4.584
  442    HA   HIS  59           HA       HIS  59   2.897   8.016   4.027
  443    HB2  HIS  59           2HB      HIS  59   1.856   6.733   5.984
  444    HB3  HIS  59           1HB      HIS  59   3.443   6.785   6.735
  445    HD1  HIS  59           1HD      HIS  59   1.216   8.066   8.238
  446    HD2  HIS  59           2HD      HIS  59   3.451  10.126   5.425
  447    HE1  HIS  59           1HE      HIS  59   0.890  10.492   8.780
  448    HE2  HIS  59           2HE      HIS  59   2.134  11.725   6.972
  449    H    GLU  60           H        GLU  60   5.371   6.057   5.674
  450    HA   GLU  60           HA       GLU  60   7.216   8.169   6.020
  451    HB2  GLU  60           2HB      GLU  60   7.703   5.188   5.887
  452    HB3  GLU  60           1HB      GLU  60   8.856   6.378   6.475
  453    HG2  GLU  60           2HG      GLU  60   7.277   6.996   8.253
  454    HG3  GLU  60           1HG      GLU  60   6.176   5.745   7.684
  455    H    ALA  61           H        ALA  61   6.679   5.860   3.434
  456    HA   ALA  61           HA       ALA  61   9.016   6.387   1.946
  457    HB1  ALA  61           1HB      ALA  61   7.849   5.331   0.088
  458    HB2  ALA  61           2HB      ALA  61   6.320   5.467   0.954
  459    HB3  ALA  61           3HB      ALA  61   7.595   4.421   1.576
  460    H    LEU  62           H        LEU  62   5.769   7.791   1.843
  461    HA   LEU  62           HA       LEU  62   6.296   9.484  -0.378
  462    HB2  LEU  62           2HB      LEU  62   4.038   8.853   0.103
  463    HB3  LEU  62           1HB      LEU  62   4.141   9.508   1.723
  464    HG   LEU  62           HG       LEU  62   4.616  11.468  -0.429
  465   HD11  LEU  62          1HD1      LEU  62   2.198  11.705  -0.874
  466   HD12  LEU  62          2HD1      LEU  62   1.925  10.178  -0.033
  467   HD13  LEU  62          3HD1      LEU  62   2.884  10.213  -1.514
  468   HD21  LEU  62          3HD2      LEU  62   2.845  11.440   2.014
  469   HD22  LEU  62          1HD2      LEU  62   3.192  12.840   1.000
  470   HD23  LEU  62          2HD2      LEU  62   4.484  12.087   1.934
  471    H    GLU  63           H        GLU  63   6.171  10.060   3.121
  472    HA   GLU  63           HA       GLU  63   6.574  12.846   2.926
  473    HB2  GLU  63           2HB      GLU  63   6.756  10.845   5.140
  474    HB3  GLU  63           1HB      GLU  63   7.342  12.481   5.405
  475    HG2  GLU  63           2HG      GLU  63   4.565  11.850   4.423
  476    HG3  GLU  63           1HG      GLU  63   4.986  12.062   6.124
  477    H    LYS  64           H        LYS  64   8.785  10.176   2.870
  478    HA   LYS  64           HA       LYS  64  11.152  11.563   3.567
  479    HB2  LYS  64           2HB      LYS  64  10.967   9.091   3.499
  480    HB3  LYS  64           1HB      LYS  64  10.823   9.165   1.750
  481    HG2  LYS  64           2HG      LYS  64  13.059   8.554   2.280
  482    HG3  LYS  64           1HG      LYS  64  13.085  10.211   1.675
  483    HD2  LYS  64           2HD      LYS  64  13.089  10.999   4.041
  484    HD3  LYS  64           1HD      LYS  64  13.242   9.318   4.553
  485    HE2  LYS  64           2HE      LYS  64  15.190  10.872   2.853
  486    HE3  LYS  64           1HE      LYS  64  15.413  10.396   4.534
  487    HZ1  LYS  64           3HZ      LYS  64  15.333   8.070   3.824
  488    HZ2  LYS  64           1HZ      LYS  64  16.596   8.911   3.078
  489    HZ3  LYS  64           2HZ      LYS  64  15.188   8.562   2.212
  490    H    ASN  65           H        ASN  65   9.330  11.235   0.626
  491    HA   ASN  65           HA       ASN  65  10.879  13.324  -0.640
  492    HB2  ASN  65           2HB      ASN  65  11.116  11.888  -2.750
  493    HB3  ASN  65           1HB      ASN  65  12.210  11.532  -1.420
  494   HD21  ASN  65          1HD2      ASN  65   9.355  10.488  -3.116
  495   HD22  ASN  65          2HD2      ASN  65   9.408   8.834  -2.628
  496    HA   PRO  66           HA       PRO  66   6.302  13.110  -1.216
  497    HB2  PRO  66           2HB      PRO  66   5.670  15.576  -0.384
  498    HB3  PRO  66           1HB      PRO  66   6.081  14.290   0.751
  499    HG2  PRO  66           2HG      PRO  66   7.791  16.525  -0.271
  500    HG3  PRO  66           1HG      PRO  66   7.625  15.912   1.384
  501    HD2  PRO  66           2HD      PRO  66   9.677  15.227  -0.291
  502    HD3  PRO  66           1HD      PRO  66   9.089  14.188   1.022
  503    H    LYS  67           H        LYS  67   8.186  13.669  -3.368
  504    HA   LYS  67           HA       LYS  67   6.389  15.362  -4.964
  505    HB2  LYS  67           2HB      LYS  67   9.410  15.301  -5.135
  506    HB3  LYS  67           1HB      LYS  67   8.376  16.034  -6.348
  507    HG2  LYS  67           2HG      LYS  67   9.019  17.846  -5.086
  508    HG3  LYS  67           1HG      LYS  67   7.461  17.438  -4.375
  509    HD2  LYS  67           2HD      LYS  67   9.020  17.893  -2.609
  510    HD3  LYS  67           1HD      LYS  67   8.667  16.166  -2.612
  511    HE2  LYS  67           2HE      LYS  67  11.045  16.567  -2.279
  512    HE3  LYS  67           1HE      LYS  67  10.760  15.739  -3.806
  513    HZ1  LYS  67           3HZ      LYS  67  12.379  17.511  -4.050
  514    HZ2  LYS  67           1HZ      LYS  67  11.263  18.649  -3.487
  515    HZ3  LYS  67           2HZ      LYS  67  10.996  17.853  -4.957
  516    H    ILE  68           H        ILE  68   6.350  12.553  -4.529
  517    HA   ILE  68           HA       ILE  68   7.231  11.481  -7.116
  518    HB   ILE  68           HB       ILE  68   6.747   9.242  -6.062
  519   HG12  ILE  68          2HG1      ILE  68   6.765  10.846  -3.488
  520   HG13  ILE  68          1HG1      ILE  68   5.311  10.173  -4.222
  521   HG21  ILE  68          1HG2      ILE  68   8.867   9.284  -4.759
  522   HG22  ILE  68          2HG2      ILE  68   8.882  11.039  -4.951
  523   HG23  ILE  68          3HG2      ILE  68   8.982   9.994  -6.366
  524   HD11  ILE  68          3HD1      ILE  68   7.677   8.620  -3.209
  525   HD12  ILE  68          1HD1      ILE  68   6.246   7.929  -3.970
  526   HD13  ILE  68          2HD1      ILE  68   6.104   8.768  -2.426
  527    H    ARG  69           H        ARG  69   5.678   9.389  -7.517
  528    HA   ARG  69           HA       ARG  69   2.973  10.561  -7.758
  529    HB2  ARG  69           2HB      ARG  69   4.165   8.557  -9.660
  530    HB3  ARG  69           1HB      ARG  69   2.697   9.492  -9.869
  531    HG2  ARG  69           2HG      ARG  69   4.022  11.525 -10.096
  532    HG3  ARG  69           1HG      ARG  69   5.499  10.579  -9.881
  533    HD2  ARG  69           2HD      ARG  69   3.525  10.466 -12.144
  534    HD3  ARG  69           1HD      ARG  69   5.246  10.844 -12.211
  535    HE   ARG  69           HE       ARG  69   4.472   8.167 -11.312
  536   HH11  ARG  69          1HH1      ARG  69   5.745  10.204 -13.865
  537   HH12  ARG  69          2HH1      ARG  69   6.397   8.877 -14.771
  538   HH21  ARG  69          1HH2      ARG  69   5.329   6.428 -12.493
  539   HH22  ARG  69          2HH2      ARG  69   6.180   6.726 -13.976
  540    H    GLU  70           H        GLU  70   4.767   7.506  -7.725
  541    HA   GLU  70           HA       GLU  70   2.853   6.322  -5.935
  542    HB2  GLU  70           2HB      GLU  70   2.247   4.469  -7.386
  543    HB3  GLU  70           1HB      GLU  70   1.769   5.993  -8.122
  544    HG2  GLU  70           2HG      GLU  70   4.273   4.478  -8.841
  545    HG3  GLU  70           1HG      GLU  70   2.740   4.302  -9.686
  546    H    VAL  71           H        VAL  71   3.540   4.117  -5.279
  547    HA   VAL  71           HA       VAL  71   6.419   3.683  -5.689
  548    HB   VAL  71           HB       VAL  71   6.684   3.102  -3.300
  549   HG11  VAL  71          1HG1      VAL  71   5.711   5.904  -3.819
  550   HG12  VAL  71          2HG1      VAL  71   7.350   5.300  -4.063
  551   HG13  VAL  71          3HG1      VAL  71   6.679   5.398  -2.434
  552   HG21  VAL  71          3HG2      VAL  71   4.981   3.831  -1.682
  553   HG22  VAL  71          1HG2      VAL  71   4.390   2.553  -2.746
  554   HG23  VAL  71          2HG2      VAL  71   3.900   4.225  -3.019
  555    H    TYR  72           H        TYR  72   7.156   1.556  -5.220
  556    HA   TYR  72           HA       TYR  72   5.037  -0.478  -5.332
  557    HB2  TYR  72           2HB      TYR  72   7.886  -0.532  -6.341
  558    HB3  TYR  72           1HB      TYR  72   6.902  -1.983  -6.191
  559    HD1  TYR  72           2HD      TYR  72   7.259   1.225  -7.979
  560    HD2  TYR  72           1HD      TYR  72   5.188  -2.484  -7.769
  561    HE1  TYR  72           2HE      TYR  72   6.295   1.644 -10.199
  562    HE2  TYR  72           1HE      TYR  72   4.217  -2.077  -9.991
  563    HH   TYR  72           HH       TYR  72   5.303   0.454 -12.042
  564    H    LEU  73           H        LEU  73   4.652  -1.452  -3.615
  565    HA   LEU  73           HA       LEU  73   6.634  -1.433  -1.462
  566    HB2  LEU  73           2HB      LEU  73   4.781  -0.005  -0.983
  567    HB3  LEU  73           1HB      LEU  73   3.633  -1.231  -1.479
  568    HG   LEU  73           HG       LEU  73   5.414  -1.908   0.763
  569   HD11  LEU  73          1HD1      LEU  73   3.123   0.042   0.995
  570   HD12  LEU  73          2HD1      LEU  73   4.816   0.356   1.384
  571   HD13  LEU  73          3HD1      LEU  73   3.880  -0.782   2.359
  572   HD21  LEU  73          3HD2      LEU  73   3.836  -3.510  -0.017
  573   HD22  LEU  73          1HD2      LEU  73   2.528  -2.331   0.078
  574   HD23  LEU  73          2HD2      LEU  73   3.285  -2.914   1.551
  575    H    LYS  74           H        LYS  74   7.026  -3.305  -0.337
  576    HA   LYS  74           HA       LYS  74   5.879  -5.727  -1.557
  577    HB2  LYS  74           2HB      LYS  74   8.449  -4.973  -1.772
  578    HB3  LYS  74           1HB      LYS  74   8.544  -5.838  -0.245
  579    HG2  LYS  74           2HG      LYS  74   7.284  -7.088  -2.655
  580    HG3  LYS  74           1HG      LYS  74   9.030  -7.111  -2.417
  581    HD2  LYS  74           2HD      LYS  74   8.823  -8.359  -0.407
  582    HD3  LYS  74           1HD      LYS  74   7.076  -8.112  -0.355
  583    HE2  LYS  74           2HE      LYS  74   7.725 -10.376  -1.125
  584    HE3  LYS  74           1HE      LYS  74   6.772  -9.479  -2.307
  585    HZ1  LYS  74           3HZ      LYS  74   9.720  -9.864  -2.339
  586    HZ2  LYS  74           1HZ      LYS  74   8.864  -8.903  -3.435
  587    HZ3  LYS  74           2HZ      LYS  74   8.605 -10.569  -3.397
  588    HA   PRO  75           HA       PRO  75   4.070  -6.759   2.385
  589    HB2  PRO  75           2HB      PRO  75   4.815  -9.457   1.317
  590    HB3  PRO  75           1HB      PRO  75   3.311  -8.933   2.087
  591    HG2  PRO  75           2HG      PRO  75   3.417  -9.167  -0.533
  592    HG3  PRO  75           1HG      PRO  75   2.596  -7.783   0.197
  593    HD2  PRO  75           2HD      PRO  75   5.235  -7.912  -1.165
  594    HD3  PRO  75           1HD      PRO  75   4.044  -6.602  -1.119
  595    H    ARG  76           H        ARG  76   4.684  -7.513   4.376
  596    HA   ARG  76           HA       ARG  76   7.456  -7.395   4.994
  597    HB2  ARG  76           2HB      ARG  76   5.217  -8.437   6.733
  598    HB3  ARG  76           1HB      ARG  76   6.781  -7.846   7.272
  599    HG2  ARG  76           2HG      ARG  76   6.216  -5.608   6.497
  600    HG3  ARG  76           1HG      ARG  76   4.651  -6.197   5.932
  601    HD2  ARG  76           2HD      ARG  76   4.348  -5.131   8.058
  602    HD3  ARG  76           1HD      ARG  76   4.127  -6.866   8.262
  603    HE   ARG  76           HE       ARG  76   6.738  -6.505   8.869
  604   HH11  ARG  76          1HH1      ARG  76   3.782  -5.009   9.988
  605   HH12  ARG  76          2HH1      ARG  76   4.410  -4.625  11.555
  606   HH21  ARG  76          1HH2      ARG  76   7.572  -6.028  10.935
  607   HH22  ARG  76          2HH2      ARG  76   6.570  -5.234  12.106
  608    H    ALA  77           H        ALA  77   5.081  -9.965   4.706
  609    HA   ALA  77           HA       ALA  77   6.932 -12.078   5.259
  610    HB1  ALA  77           1HB      ALA  77   4.536 -12.381   5.609
  611    HB2  ALA  77           2HB      ALA  77   5.148 -13.549   4.437
  612    HB3  ALA  77           3HB      ALA  77   4.244 -12.138   3.887
  613    H    VAL  78           H        VAL  78   8.612 -11.231   3.845
  614    HA   VAL  78           HA       VAL  78   8.361 -11.128   1.038
  615    HB   VAL  78           HB       VAL  78  10.819 -11.229   0.962
  616   HG11  VAL  78          1HG1      VAL  78   9.738  -9.104   1.419
  617   HG12  VAL  78          2HG1      VAL  78  11.262  -9.222   2.296
  618   HG13  VAL  78          3HG1      VAL  78   9.735  -9.456   3.147
  619   HG21  VAL  78          3HG2      VAL  78  10.627 -11.739   3.930
  620   HG22  VAL  78          1HG2      VAL  78  12.112 -11.405   3.040
  621   HG23  VAL  78          2HG2      VAL  78  11.201 -12.878   2.712
  622    H    LYS  79           H        LYS  79   8.307 -13.743   3.119
  623    HA   LYS  79           HA       LYS  79   9.536 -15.743   1.538
  624    HB2  LYS  79           2HB      LYS  79   7.269 -16.170   3.483
  625    HB3  LYS  79           1HB      LYS  79   8.520 -17.316   3.020
  626    HG2  LYS  79           2HG      LYS  79   8.896 -14.814   4.650
  627    HG3  LYS  79           1HG      LYS  79   8.943 -16.475   5.240
  628    HD2  LYS  79           2HD      LYS  79  10.920 -16.922   3.906
  629    HD3  LYS  79           1HD      LYS  79  10.845 -15.300   3.214
  630    HE2  LYS  79           2HE      LYS  79  12.520 -15.413   4.981
  631    HE3  LYS  79           1HE      LYS  79  11.203 -14.333   5.430
  632    HZ1  LYS  79           3HZ      LYS  79  11.818 -15.743   7.276
  633    HZ2  LYS  79           1HZ      LYS  79  11.551 -17.134   6.352
  634    HZ3  LYS  79           2HZ      LYS  79  10.257 -16.129   6.757
  635    H    ASN  80           H        ASN  80   6.467 -14.148   1.421
  636    HA   ASN  80           HA       ASN  80   4.997 -16.045  -0.063
  637    HB2  ASN  80           2HB      ASN  80   4.788 -13.038  -0.079
  638    HB3  ASN  80           1HB      ASN  80   3.610 -14.139  -0.782
  639   HD21  ASN  80          1HD2      ASN  80   3.220 -12.171   1.246
  640   HD22  ASN  80          2HD2      ASN  80   2.660 -13.017   2.640
  641    H    SER  81           H        SER  81   7.203 -13.481  -0.943
  642    HA   SER  81           HA       SER  81   8.514 -13.126  -2.738
  643    HB2  SER  81           2HB      SER  81   8.766 -15.624  -2.702
  644    HB3  SER  81           1HB      SER  81   7.464 -15.714  -3.887
  645    HG   SER  81           HG       SER  81   8.741 -14.593  -5.348
  646    H    SER  82           H        SER  82   5.542 -14.625  -4.086
  647    HA   SER  82           HA       SER  82   5.842 -12.985  -6.439
  648    HB2  SER  82           2HB      SER  82   3.577 -14.885  -5.861
  649    HB3  SER  82           1HB      SER  82   4.222 -14.393  -7.427
  650    HG   SER  82           HG       SER  82   5.002 -16.408  -5.806
  651    H    VAL  83           H        VAL  83   4.586 -12.116  -3.594
  652    HA   VAL  83           HA       VAL  83   2.267 -10.758  -4.790
  653    HB   VAL  83           HB       VAL  83   1.592 -12.110  -2.919
  654   HG11  VAL  83          1HG1      VAL  83   3.600 -12.418  -1.726
  655   HG12  VAL  83          2HG1      VAL  83   2.491 -11.602  -0.624
  656   HG13  VAL  83          3HG1      VAL  83   3.775 -10.695  -1.425
  657   HG21  VAL  83          3HG2      VAL  83   0.450  -9.973  -3.148
  658   HG22  VAL  83          1HG2      VAL  83   1.662  -9.199  -2.127
  659   HG23  VAL  83          2HG2      VAL  83   0.588 -10.421  -1.448
  660    H    GLN  84           H        GLN  84   2.230  -8.617  -4.968
  661    HA   GLN  84           HA       GLN  84   4.092  -6.988  -3.394
  662    HB2  GLN  84           2HB      GLN  84   3.752  -6.753  -6.393
  663    HB3  GLN  84           1HB      GLN  84   4.695  -5.665  -5.385
  664    HG2  GLN  84           2HG      GLN  84   6.208  -7.488  -4.820
  665    HG3  GLN  84           1HG      GLN  84   5.256  -8.595  -5.807
  666   HE21  GLN  84          1HE2      GLN  84   5.276  -8.351  -8.064
  667   HE22  GLN  84          2HE2      GLN  84   6.547  -7.492  -8.865
  668    H    PHE  85           H        PHE  85   3.331  -4.943  -2.911
  669    HA   PHE  85           HA       PHE  85   0.571  -4.374  -3.751
  670    HB2  PHE  85           2HB      PHE  85   2.114  -3.469  -1.320
  671    HB3  PHE  85           1HB      PHE  85   0.547  -2.814  -1.770
  672    HD1  PHE  85           1HD      PHE  85  -1.395  -4.477  -1.946
  673    HD2  PHE  85           2HD      PHE  85   2.262  -5.346   0.041
  674    HE1  PHE  85           1HE      PHE  85  -2.511  -6.266  -0.680
  675    HE2  PHE  85           2HE      PHE  85   1.153  -7.137   1.308
  676    HZ   PHE  85           HZ       PHE  85  -1.232  -7.602   0.946
  677    H    HIS  86           H        HIS  86   0.264  -2.722  -5.083
  678    HA   HIS  86           HA       HIS  86   2.512  -0.877  -5.513
  679    HB2  HIS  86           2HB      HIS  86   1.708  -2.159  -7.484
  680    HB3  HIS  86           1HB      HIS  86   0.127  -1.412  -7.298
  681    HD1  HIS  86           1HD      HIS  86   2.989   0.864  -6.730
  682    HD2  HIS  86           2HD      HIS  86   0.574  -0.317  -9.905
  683    HE1  HIS  86           1HE      HIS  86   3.385   2.547  -8.549
  684    HE2  HIS  86           2HE      HIS  86   2.055   1.709 -10.513
  685    H    VAL  87           H        VAL  87   2.306   0.851  -4.260
  686    HA   VAL  87           HA       VAL  87  -0.358   1.879  -3.665
  687    HB   VAL  87           HB       VAL  87   2.331   2.685  -2.545
  688   HG11  VAL  87          1HG1      VAL  87   1.050   3.940  -0.882
  689   HG12  VAL  87          2HG1      VAL  87  -0.443   3.528  -1.724
  690   HG13  VAL  87          3HG1      VAL  87   0.763   4.546  -2.513
  691   HG21  VAL  87          3HG2      VAL  87   1.570   1.563  -0.507
  692   HG22  VAL  87          1HG2      VAL  87   1.667   0.444  -1.868
  693   HG23  VAL  87          2HG2      VAL  87   0.100   1.057  -1.340
  694    H    ILE  88           H        ILE  88  -1.181   3.364  -4.940
  695    HA   ILE  88           HA       ILE  88   0.613   5.142  -6.436
  696    HB   ILE  88           HB       ILE  88  -2.340   4.582  -6.795
  697   HG12  ILE  88          2HG1      ILE  88  -1.393   3.871  -9.126
  698   HG13  ILE  88          1HG1      ILE  88   0.131   3.718  -8.260
  699   HG21  ILE  88          1HG2      ILE  88  -0.554   6.423  -8.372
  700   HG22  ILE  88          2HG2      ILE  88  -1.893   6.897  -7.325
  701   HG23  ILE  88          3HG2      ILE  88  -2.208   5.984  -8.800
  702   HD11  ILE  88          3HD1      ILE  88  -2.428   2.276  -7.613
  703   HD12  ILE  88          1HD1      ILE  88  -0.905   2.117  -6.737
  704   HD13  ILE  88          2HD1      ILE  88  -1.016   1.590  -8.417
  705    H    PHE  89           H        PHE  89   0.621   7.325  -6.078
  706    HA   PHE  89           HA       PHE  89  -0.943   8.207  -3.765
  707    HB2  PHE  89           2HB      PHE  89   1.638   9.187  -4.956
  708    HB3  PHE  89           1HB      PHE  89   0.740  10.109  -3.753
  709    HD1  PHE  89           1HD      PHE  89  -0.149   8.486  -1.777
  710    HD2  PHE  89           2HD      PHE  89   3.374   7.954  -4.099
  711    HE1  PHE  89           1HE      PHE  89   0.810   7.108   0.011
  712    HE2  PHE  89           2HE      PHE  89   4.344   6.573  -2.307
  713    HZ   PHE  89           HZ       PHE  89   3.044   6.154  -0.267
  714    H    ASP  90           H        ASP  90  -2.786   9.133  -4.382
  715    HA   ASP  90           HA       ASP  90  -3.061  10.361  -6.973
  716    HB2  ASP  90           2HB      ASP  90  -5.022  10.145  -4.677
  717    HB3  ASP  90           1HB      ASP  90  -5.407  10.779  -6.270
  718    H    GLU  91           H        GLU  91  -2.332  12.359  -7.327
  719    HA   GLU  91           HA       GLU  91  -2.696  14.344  -5.208
  720    HB2  GLU  91           2HB      GLU  91  -1.234  15.813  -6.437
  721    HB3  GLU  91           1HB      GLU  91  -0.458  14.247  -6.286
  722    HG2  GLU  91           2HG      GLU  91  -1.886  15.233  -8.745
  723    HG3  GLU  91           1HG      GLU  91  -0.146  15.305  -8.488
  724    H    GLU  92           H        GLU  92  -4.353  15.653  -5.246
  725    HA   GLU  92           HA       GLU  92  -5.939  15.811  -7.716
  726    HB2  GLU  92           2HB      GLU  92  -6.894  15.652  -4.851
  727    HB3  GLU  92           1HB      GLU  92  -7.939  15.962  -6.229
  728    HG2  GLU  92           2HG      GLU  92  -6.274  13.479  -5.891
  729    HG3  GLU  92           1HG      GLU  92  -7.969  13.615  -5.428
  Start of MODEL   17
    1    H1   GLY   1           1HT      GLY   1   3.858  -7.535 -20.786
    2    H2   GLY   1           2HT      GLY   1   3.083  -8.280 -19.480
    3    H3   GLY   1           3HT      GLY   1   4.656  -7.692 -19.307
    4    HA2  GLY   1           1HA      GLY   1   3.902  -5.435 -19.601
    5    HA3  GLY   1           2HA      GLY   1   2.265  -6.027 -19.828
    6    H    SER   2           H        SER   2   1.880  -4.490 -18.014
    7    HA   SER   2           HA       SER   2   2.762  -5.504 -15.412
    8    HB2  SER   2           2HB      SER   2   1.393  -2.892 -16.085
    9    HB3  SER   2           1HB      SER   2   2.103  -3.334 -14.533
   10    HG   SER   2           HG       SER   2   3.743  -3.497 -16.780
   11    H    ALA   3           H        ALA   3   0.750  -6.951 -16.851
   12    HA   ALA   3           HA       ALA   3  -1.806  -6.329 -15.693
   13    HB1  ALA   3           1HB      ALA   3  -2.530  -8.469 -16.659
   14    HB2  ALA   3           2HB      ALA   3  -0.861  -8.825 -17.102
   15    HB3  ALA   3           3HB      ALA   3  -1.698  -7.462 -17.841
   16    H    MET   4           H        MET   4  -1.000  -6.183 -13.490
   17    HA   MET   4           HA       MET   4  -0.805  -6.922 -11.361
   18    HB2  MET   4           2HB      MET   4  -2.023  -9.446 -12.500
   19    HB3  MET   4           1HB      MET   4  -1.771  -9.155 -10.786
   20    HG2  MET   4           2HG      MET   4  -3.338  -7.356 -10.793
   21    HG3  MET   4           1HG      MET   4  -3.472  -7.414 -12.550
   22    HE1  MET   4           3HE      MET   4  -4.932 -10.852  -9.833
   23    HE2  MET   4           1HE      MET   4  -4.110  -9.419  -9.215
   24    HE3  MET   4           2HE      MET   4  -3.236 -10.571 -10.225
   25    H    GLY   5           H        GLY   5  -0.400 -10.210 -12.309
   26    HA2  GLY   5           2HA      GLY   5   2.521  -9.962 -12.347
   27    HA3  GLY   5           1HA      GLY   5   1.771 -11.069 -11.199
   28    H    HIS   6           H        HIS   6   0.278 -10.504 -14.217
   29    HA   HIS   6           HA       HIS   6  -0.152 -11.748 -16.049
   30    HB2  HIS   6           2HB      HIS   6   2.396 -11.894 -16.144
   31    HB3  HIS   6           1HB      HIS   6   2.231 -13.487 -15.420
   32    HD1  HIS   6           1HD      HIS   6   2.150 -15.326 -17.080
   33    HD2  HIS   6           2HD      HIS   6   0.751 -11.745 -18.663
   34    HE1  HIS   6           1HE      HIS   6   1.643 -15.804 -19.494
   35    HE2  HIS   6           2HE      HIS   6   0.705 -13.655 -20.405
   36    H    MET   7           H        MET   7   1.120 -14.003 -13.596
   37    HA   MET   7           HA       MET   7  -1.454 -15.057 -13.051
   38    HB2  MET   7           2HB      MET   7  -1.131 -16.196 -15.182
   39    HB3  MET   7           1HB      MET   7   0.399 -16.851 -14.624
   40    HG2  MET   7           2HG      MET   7  -1.437 -18.483 -14.539
   41    HG3  MET   7           1HG      MET   7  -0.711 -18.181 -12.963
   42    HE1  MET   7           3HE      MET   7  -3.210 -15.710 -14.790
   43    HE2  MET   7           1HE      MET   7  -4.755 -16.397 -14.294
   44    HE3  MET   7           2HE      MET   7  -3.678 -17.315 -15.344
   45    HA   PRO   8           HA       PRO   8   1.761 -17.518 -10.456
   46    HB2  PRO   8           2HB      PRO   8   4.399 -16.984 -10.738
   47    HB3  PRO   8           1HB      PRO   8   3.560 -18.194 -11.716
   48    HG2  PRO   8           2HG      PRO   8   4.273 -15.367 -12.405
   49    HG3  PRO   8           1HG      PRO   8   4.449 -16.834 -13.388
   50    HD2  PRO   8           2HD      PRO   8   2.397 -15.114 -13.719
   51    HD3  PRO   8           1HD      PRO   8   2.221 -16.860 -13.973
   52    H    ALA   9           H        ALA   9   2.505 -14.157 -11.190
   53    HA   ALA   9           HA       ALA   9   3.349 -13.699  -8.429
   54    HB1  ALA   9           1HB      ALA   9   3.454 -11.904 -10.849
   55    HB2  ALA   9           2HB      ALA   9   4.801 -12.762 -10.107
   56    HB3  ALA   9           3HB      ALA   9   4.003 -11.451  -9.238
   57    H    VAL  10           H        VAL  10   2.342 -12.232  -7.073
   58    HA   VAL  10           HA       VAL  10  -0.456 -11.633  -7.785
   59    HB   VAL  10           HB       VAL  10   0.760 -11.819  -5.019
   60   HG11  VAL  10          1HG1      VAL  10  -1.212 -10.393  -5.128
   61   HG12  VAL  10          2HG1      VAL  10  -1.560 -11.883  -4.251
   62   HG13  VAL  10          3HG1      VAL  10  -2.118 -11.688  -5.913
   63   HG21  VAL  10          3HG2      VAL  10  -0.386 -13.973  -4.826
   64   HG22  VAL  10          1HG2      VAL  10   0.824 -13.995  -6.110
   65   HG23  VAL  10          2HG2      VAL  10  -0.887 -13.856  -6.513
   66    H    ASP  11           H        ASP  11  -1.178  -9.562  -7.709
   67    HA   ASP  11           HA       ASP  11   0.629  -7.491  -6.685
   68    HB2  ASP  11           2HB      ASP  11   0.903  -7.830  -9.178
   69    HB3  ASP  11           1HB      ASP  11  -0.765  -7.299  -9.357
   70    H    VAL  12           H        VAL  12  -0.385  -5.859  -5.649
   71    HA   VAL  12           HA       VAL  12  -3.327  -5.707  -5.841
   72    HB   VAL  12           HB       VAL  12  -1.718  -5.446  -3.287
   73   HG11  VAL  12          1HG1      VAL  12  -3.687  -4.017  -3.297
   74   HG12  VAL  12          2HG1      VAL  12  -3.900  -5.361  -2.174
   75   HG13  VAL  12          3HG1      VAL  12  -4.698  -5.388  -3.745
   76   HG21  VAL  12          3HG2      VAL  12  -2.812  -7.524  -2.591
   77   HG22  VAL  12          1HG2      VAL  12  -1.819  -7.767  -4.029
   78   HG23  VAL  12          2HG2      VAL  12  -3.574  -7.655  -4.177
   79    H    GLU  13           H        GLU  13  -4.184  -3.640  -5.879
   80    HA   GLU  13           HA       GLU  13  -2.220  -1.453  -5.923
   81    HB2  GLU  13           2HB      GLU  13  -4.977  -1.588  -7.156
   82    HB3  GLU  13           1HB      GLU  13  -3.901  -0.203  -7.227
   83    HG2  GLU  13           2HG      GLU  13  -2.278  -1.566  -8.478
   84    HG3  GLU  13           1HG      GLU  13  -3.434  -2.900  -8.467
   85    H    ILE  14           H        ILE  14  -2.230  -0.172  -4.208
   86    HA   ILE  14           HA       ILE  14  -4.810   0.298  -2.856
   87    HB   ILE  14           HB       ILE  14  -2.278   1.066  -1.487
   88   HG12  ILE  14          2HG1      ILE  14  -3.251  -1.807  -1.451
   89   HG13  ILE  14          1HG1      ILE  14  -1.838  -1.265  -2.350
   90   HG21  ILE  14          1HG2      ILE  14  -4.861  -0.175  -0.551
   91   HG22  ILE  14          2HG2      ILE  14  -4.480   1.548  -0.552
   92   HG23  ILE  14          3HG2      ILE  14  -3.574   0.444   0.484
   93   HD11  ILE  14          3HD1      ILE  14  -2.179  -1.111   0.643
   94   HD12  ILE  14          1HD1      ILE  14  -0.758  -0.595  -0.263
   95   HD13  ILE  14          2HD1      ILE  14  -1.210  -2.298  -0.228
   96    H    HIS  15           H        HIS  15  -5.584   2.317  -3.181
   97    HA   HIS  15           HA       HIS  15  -3.708   4.319  -4.209
   98    HB2  HIS  15           2HB      HIS  15  -6.722   4.200  -4.288
   99    HB3  HIS  15           1HB      HIS  15  -5.790   5.593  -4.821
  100    HD1  HIS  15           1HD      HIS  15  -6.687   2.095  -5.787
  101    HD2  HIS  15           2HD      HIS  15  -4.519   5.305  -7.290
  102    HE1  HIS  15           1HE      HIS  15  -6.223   1.527  -8.189
  103    HE2  HIS  15           2HE      HIS  15  -5.116   3.586  -9.129
  104    H    PHE  16           H        PHE  16  -3.193   6.075  -3.136
  105    HA   PHE  16           HA       PHE  16  -4.502   6.581  -0.543
  106    HB2  PHE  16           2HB      PHE  16  -1.604   6.745  -1.359
  107    HB3  PHE  16           1HB      PHE  16  -2.221   7.596   0.047
  108    HD1  PHE  16           2HD      PHE  16  -2.878   4.133  -1.214
  109    HD2  PHE  16           1HD      PHE  16  -1.362   6.600   1.894
  110    HE1  PHE  16           2HE      PHE  16  -2.493   2.145   0.182
  111    HE2  PHE  16           1HE      PHE  16  -0.974   4.617   3.292
  112    HZ   PHE  16           HZ       PHE  16  -1.543   2.383   2.436
  113    HA   PRO  17           HA       PRO  17  -5.189  10.683  -2.302
  114    HB2  PRO  17           2HB      PRO  17  -5.811  11.378   0.490
  115    HB3  PRO  17           1HB      PRO  17  -6.824  11.518  -0.948
  116    HG2  PRO  17           2HG      PRO  17  -7.294   9.676   0.947
  117    HG3  PRO  17           1HG      PRO  17  -7.607   9.363  -0.770
  118    HD2  PRO  17           2HD      PRO  17  -5.323   8.461   0.939
  119    HD3  PRO  17           1HD      PRO  17  -6.202   7.581  -0.329
  120    H    LEU  18           H        LEU  18  -3.377  11.673  -2.736
  121    HA   LEU  18           HA       LEU  18  -0.966  11.575  -1.478
  122    HB2  LEU  18           2HB      LEU  18  -1.403  12.361  -3.775
  123    HB3  LEU  18           1HB      LEU  18  -2.062  13.847  -3.139
  124    HG   LEU  18           HG       LEU  18   0.278  13.944  -4.112
  125   HD11  LEU  18          1HD1      LEU  18  -0.605  15.738  -2.739
  126   HD12  LEU  18          2HD1      LEU  18   1.113  15.491  -2.427
  127   HD13  LEU  18          3HD1      LEU  18  -0.086  14.896  -1.280
  128   HD21  LEU  18          3HD2      LEU  18   0.925  12.490  -1.559
  129   HD22  LEU  18          1HD2      LEU  18   2.107  13.300  -2.589
  130   HD23  LEU  18          2HD2      LEU  18   1.195  11.927  -3.205
  131    H    LYS  19           H        LYS  19  -3.489  13.974  -0.949
  132    HA   LYS  19           HA       LYS  19  -1.798  15.613   0.692
  133    HB2  LYS  19           2HB      LYS  19  -3.893  16.916   1.104
  134    HB3  LYS  19           1HB      LYS  19  -3.426  16.768  -0.581
  135    HG2  LYS  19           2HG      LYS  19  -5.090  14.989  -0.862
  136    HG3  LYS  19           1HG      LYS  19  -5.562  15.189   0.822
  137    HD2  LYS  19           2HD      LYS  19  -7.101  16.352  -0.661
  138    HD3  LYS  19           1HD      LYS  19  -6.238  17.500   0.360
  139    HE2  LYS  19           2HE      LYS  19  -4.707  17.943  -1.524
  140    HE3  LYS  19           1HE      LYS  19  -5.648  16.815  -2.502
  141    HZ1  LYS  19           3HZ      LYS  19  -7.543  18.231  -2.355
  142    HZ2  LYS  19           1HZ      LYS  19  -6.232  19.168  -2.868
  143    HZ3  LYS  19           2HZ      LYS  19  -6.764  19.267  -1.266
  144    H    ARG  20           H        ARG  20  -4.063  13.037   1.326
  145    HA   ARG  20           HA       ARG  20  -4.245  13.787   4.133
  146    HB2  ARG  20           2HB      ARG  20  -5.604  11.652   2.520
  147    HB3  ARG  20           1HB      ARG  20  -5.664  11.650   4.277
  148    HG2  ARG  20           2HG      ARG  20  -7.502  12.886   4.004
  149    HG3  ARG  20           1HG      ARG  20  -6.373  14.212   3.722
  150    HD2  ARG  20           2HD      ARG  20  -6.454  13.647   1.291
  151    HD3  ARG  20           1HD      ARG  20  -7.730  12.490   1.659
  152    HE   ARG  20           HE       ARG  20  -8.324  15.093   2.671
  153   HH11  ARG  20          1HH1      ARG  20  -8.358  13.141  -0.228
  154   HH12  ARG  20          2HH1      ARG  20  -9.630  14.048  -0.979
  155   HH21  ARG  20          1HH2      ARG  20 -10.007  16.287   1.689
  156   HH22  ARG  20          2HH2      ARG  20 -10.572  15.830   0.111
  157    H    ILE  21           H        ILE  21  -2.743  11.273   2.158
  158    HA   ILE  21           HA       ILE  21  -1.891   9.678   4.346
  159    HB   ILE  21           HB       ILE  21  -1.896   8.752   2.100
  160   HG12  ILE  21          2HG1      ILE  21   0.314   7.680   2.104
  161   HG13  ILE  21          1HG1      ILE  21   0.927   8.927   3.183
  162   HG21  ILE  21          1HG2      ILE  21   0.206  10.824   1.517
  163   HG22  ILE  21          2HG2      ILE  21  -1.366  10.630   0.743
  164   HG23  ILE  21          3HG2      ILE  21  -0.099   9.431   0.480
  165   HD11  ILE  21          3HD1      ILE  21  -1.291   7.012   3.879
  166   HD12  ILE  21          1HD1      ILE  21  -0.512   8.172   4.954
  167   HD13  ILE  21          2HD1      ILE  21   0.404   6.803   4.322
  168    H    ALA  22           H        ALA  22  -0.726  12.625   2.945
  169    HA   ALA  22           HA       ALA  22   1.824  12.491   4.336
  170    HB1  ALA  22           1HB      ALA  22   2.288  14.639   3.281
  171    HB2  ALA  22           2HB      ALA  22   0.634  14.709   2.673
  172    HB3  ALA  22           3HB      ALA  22   1.737  13.465   2.086
  173    H    ALA  23           H        ALA  23  -1.033  12.791   5.547
  174    HA   ALA  23           HA       ALA  23  -0.401  15.112   7.251
  175    HB1  ALA  23           1HB      ALA  23  -2.785  15.517   7.482
  176    HB2  ALA  23           2HB      ALA  23  -3.138  14.138   6.444
  177    HB3  ALA  23           3HB      ALA  23  -2.316  15.550   5.783
  178    H    GLU  24           H        GLU  24  -1.741  14.953   9.375
  179    HA   GLU  24           HA       GLU  24  -1.051  12.379  10.544
  180    HB2  GLU  24           2HB      GLU  24  -0.333  14.492  11.637
  181    HB3  GLU  24           1HB      GLU  24  -2.023  14.901  11.897
  182    HG2  GLU  24           2HG      GLU  24  -2.296  12.951  13.317
  183    HG3  GLU  24           1HG      GLU  24  -0.620  12.489  13.028
  184    H    GLY  25           H        GLY  25  -3.835  14.275   9.688
  185    HA2  GLY  25           2HA      GLY  25  -5.677  12.501  11.077
  186    HA3  GLY  25           1HA      GLY  25  -6.110  13.883  10.081
  187    H    TYR  26           H        TYR  26  -4.165  10.995   9.431
  188    HA   TYR  26           HA       TYR  26  -5.293  10.794   6.797
  189    HB2  TYR  26           2HB      TYR  26  -3.709   8.950   6.478
  190    HB3  TYR  26           1HB      TYR  26  -2.907  10.351   7.174
  191    HD1  TYR  26           2HD      TYR  26  -2.182  10.314   9.540
  192    HD2  TYR  26           1HD      TYR  26  -3.878   6.881   7.681
  193    HE1  TYR  26           2HE      TYR  26  -1.323   8.907  11.362
  194    HE2  TYR  26           1HE      TYR  26  -3.022   5.469   9.499
  195    HH   TYR  26           HH       TYR  26  -1.284   5.498  11.191
  196    H    ALA  27           H        ALA  27  -5.632   9.095   9.852
  197    HA   ALA  27           HA       ALA  27  -7.066   6.875   8.717
  198    HB1  ALA  27           1HB      ALA  27  -7.398   6.150  11.008
  199    HB2  ALA  27           2HB      ALA  27  -6.836   7.711  11.608
  200    HB3  ALA  27           3HB      ALA  27  -5.720   6.636  10.766
  201    H    GLU  28           H        GLU  28  -7.815  10.033   9.684
  202    HA   GLU  28           HA       GLU  28 -10.628   9.544  10.120
  203    HB2  GLU  28           2HB      GLU  28  -9.056  12.109   9.818
  204    HB3  GLU  28           1HB      GLU  28 -10.773  12.032  10.195
  205    HG2  GLU  28           2HG      GLU  28  -8.511  10.983  11.879
  206    HG3  GLU  28           1HG      GLU  28  -9.511  12.398  12.209
  207    H    ASP  29           H        ASP  29  -8.620   9.754   7.458
  208    HA   ASP  29           HA       ASP  29 -10.547  11.018   5.704
  209    HB2  ASP  29           2HB      ASP  29  -8.210  11.440   5.239
  210    HB3  ASP  29           1HB      ASP  29  -7.882   9.712   5.115
  211    H    GLU  30           H        GLU  30 -12.230   9.955   5.053
  212    HA   GLU  30           HA       GLU  30 -12.668   7.223   5.393
  213    HB2  GLU  30           2HB      GLU  30 -14.494   8.808   5.233
  214    HB3  GLU  30           1HB      GLU  30 -14.039   9.214   3.585
  215    HG2  GLU  30           2HG      GLU  30 -14.577   6.928   2.884
  216    HG3  GLU  30           1HG      GLU  30 -15.068   6.552   4.536
  217    H    LEU  31           H        LEU  31 -11.445   9.053   2.666
  218    HA   LEU  31           HA       LEU  31 -11.693   7.090   0.692
  219    HB2  LEU  31           2HB      LEU  31 -10.192   9.578   1.084
  220    HB3  LEU  31           1HB      LEU  31  -9.398   8.432   0.023
  221    HG   LEU  31           HG       LEU  31 -12.204   9.476  -0.361
  222   HD11  LEU  31          1HD1      LEU  31  -9.650  10.172  -1.808
  223   HD12  LEU  31          2HD1      LEU  31 -10.501  11.217  -0.672
  224   HD13  LEU  31          3HD1      LEU  31 -11.263  10.768  -2.197
  225   HD21  LEU  31          3HD2      LEU  31 -11.931   7.266  -1.278
  226   HD22  LEU  31          1HD2      LEU  31 -10.420   7.738  -2.056
  227   HD23  LEU  31          2HD2      LEU  31 -11.947   8.440  -2.592
  228    H    LEU  32           H        LEU  32  -9.075   7.789   2.977
  229    HA   LEU  32           HA       LEU  32  -7.326   5.883   1.802
  230    HB2  LEU  32           2HB      LEU  32  -6.547   7.887   2.979
  231    HB3  LEU  32           1HB      LEU  32  -7.246   7.284   4.473
  232    HG   LEU  32           HG       LEU  32  -5.731   5.388   4.423
  233   HD11  LEU  32          1HD1      LEU  32  -4.616   6.716   1.963
  234   HD12  LEU  32          2HD1      LEU  32  -5.445   5.161   2.034
  235   HD13  LEU  32          3HD1      LEU  32  -3.870   5.358   2.806
  236   HD21  LEU  32          3HD2      LEU  32  -3.656   6.605   4.910
  237   HD22  LEU  32          1HD2      LEU  32  -5.063   7.389   5.631
  238   HD23  LEU  32          2HD2      LEU  32  -4.343   8.049   4.162
  239    H    LEU  33           H        LEU  33  -9.482   6.013   4.545
  240    HA   LEU  33           HA       LEU  33  -8.721   3.577   5.728
  241    HB2  LEU  33           2HB      LEU  33 -10.030   5.483   6.751
  242    HB3  LEU  33           1HB      LEU  33 -11.431   4.868   5.901
  243    HG   LEU  33           HG       LEU  33 -11.210   2.729   7.120
  244   HD11  LEU  33          1HD1      LEU  33  -8.829   2.758   7.559
  245   HD12  LEU  33          2HD1      LEU  33  -9.716   2.637   9.077
  246   HD13  LEU  33          3HD1      LEU  33  -9.011   4.177   8.589
  247   HD21  LEU  33          3HD2      LEU  33 -12.703   4.462   7.952
  248   HD22  LEU  33          1HD2      LEU  33 -11.378   5.179   8.868
  249   HD23  LEU  33          2HD2      LEU  33 -11.971   3.572   9.287
  250    H    ASN  34           H        ASN  34 -11.330   4.380   3.423
  251    HA   ASN  34           HA       ASN  34 -12.393   1.729   3.540
  252    HB2  ASN  34           2HB      ASN  34 -14.071   2.411   2.114
  253    HB3  ASN  34           1HB      ASN  34 -13.622   3.930   2.872
  254   HD21  ASN  34          1HD2      ASN  34 -12.695   5.522   1.662
  255   HD22  ASN  34          2HD2      ASN  34 -12.599   5.455  -0.067
  256    H    GLN  35           H        GLN  35 -10.034   3.334   1.482
  257    HA   GLN  35           HA       GLN  35 -10.089   1.277  -0.524
  258    HB2  GLN  35           2HB      GLN  35  -8.036   3.404   0.102
  259    HB3  GLN  35           1HB      GLN  35  -7.912   2.302  -1.264
  260    HG2  GLN  35           2HG      GLN  35  -9.913   3.168  -2.229
  261    HG3  GLN  35           1HG      GLN  35 -10.230   4.163  -0.808
  262   HE21  GLN  35          1HE2      GLN  35  -8.861   5.949  -0.410
  263   HE22  GLN  35          2HE2      GLN  35  -7.968   6.695  -1.693
  264    H    MET  36           H        MET  36  -7.984   1.994   2.234
  265    HA   MET  36           HA       MET  36  -6.419  -0.379   1.894
  266    HB2  MET  36           2HB      MET  36  -6.622   1.748   3.982
  267    HB3  MET  36           1HB      MET  36  -5.814   0.238   4.382
  268    HG2  MET  36           2HG      MET  36  -4.985   1.458   1.848
  269    HG3  MET  36           1HG      MET  36  -4.604   2.393   3.291
  270    HE1  MET  36           3HE      MET  36  -3.178  -1.992   2.803
  271    HE2  MET  36           1HE      MET  36  -4.226  -1.211   1.619
  272    HE3  MET  36           2HE      MET  36  -4.831  -1.555   3.239
  273    H    GLY  37           H        GLY  37  -9.462   0.314   3.234
  274    HA2  GLY  37           2HA      GLY  37  -9.522  -2.079   4.887
  275    HA3  GLY  37           1HA      GLY  37 -10.832  -0.931   4.657
  276    H    LYS  38           H        LYS  38 -10.319  -1.108   1.678
  277    HA   LYS  38           HA       LYS  38 -12.127  -3.259   1.127
  278    HB2  LYS  38           2HB      LYS  38 -12.069  -1.104  -0.153
  279    HB3  LYS  38           1HB      LYS  38 -10.521  -1.602  -0.823
  280    HG2  LYS  38           2HG      LYS  38 -11.608  -3.569  -1.823
  281    HG3  LYS  38           1HG      LYS  38 -13.158  -3.007  -1.194
  282    HD2  LYS  38           2HD      LYS  38 -12.920  -0.941  -2.508
  283    HD3  LYS  38           1HD      LYS  38 -11.397  -1.549  -3.163
  284    HE2  LYS  38           2HE      LYS  38 -12.641  -3.499  -4.075
  285    HE3  LYS  38           1HE      LYS  38 -14.137  -2.752  -3.524
  286    HZ1  LYS  38           3HZ      LYS  38 -13.691  -2.317  -5.869
  287    HZ2  LYS  38           1HZ      LYS  38 -12.246  -1.544  -5.462
  288    HZ3  LYS  38           2HZ      LYS  38 -13.723  -0.889  -4.971
  289    H    VAL  39           H        VAL  39  -8.764  -2.563   0.130
  290    HA   VAL  39           HA       VAL  39  -8.362  -5.369  -0.527
  291    HB   VAL  39           HB       VAL  39  -5.999  -4.653  -1.038
  292   HG11  VAL  39          1HG1      VAL  39  -6.611  -3.447  -3.094
  293   HG12  VAL  39          2HG1      VAL  39  -8.233  -3.202  -2.448
  294   HG13  VAL  39          3HG1      VAL  39  -7.657  -4.833  -2.790
  295   HG21  VAL  39          3HG2      VAL  39  -7.109  -1.888  -0.549
  296   HG22  VAL  39          1HG2      VAL  39  -5.534  -2.260  -1.250
  297   HG23  VAL  39          2HG2      VAL  39  -5.879  -2.696   0.424
  298    H    ASN  40           H        ASN  40  -9.006  -5.737   1.841
  299    HA   ASN  40           HA       ASN  40  -6.609  -5.677   3.530
  300    HB2  ASN  40           2HB      ASN  40  -8.251  -3.707   3.902
  301    HB3  ASN  40           1HB      ASN  40  -9.281  -4.920   4.664
  302   HD21  ASN  40          1HD2      ASN  40  -5.780  -4.659   4.676
  303   HD22  ASN  40          2HD2      ASN  40  -5.619  -4.499   6.389
  304    H    ASP  41           H        ASP  41  -9.835  -6.965   2.961
  305    HA   ASP  41           HA       ASP  41  -9.850  -8.599   5.290
  306    HB2  ASP  41           2HB      ASP  41 -11.879  -9.633   4.262
  307    HB3  ASP  41           1HB      ASP  41 -11.955  -7.882   4.389
  308    H    THR  42           H        THR  42  -9.127  -9.237   1.880
  309    HA   THR  42           HA       THR  42  -7.866 -11.738   2.719
  310    HB   THR  42           HB       THR  42  -8.820 -12.796   0.573
  311    HG1  THR  42           1HG      THR  42 -10.730 -10.706   1.012
  312   HG21  THR  42          3HG2      THR  42 -10.830 -13.572   1.746
  313   HG22  THR  42          1HG2      THR  42 -10.659 -12.261   2.913
  314   HG23  THR  42          2HG2      THR  42  -9.437 -13.531   2.826
  315    HA   PRO  43           HA       PRO  43  -5.327  -9.255  -0.340
  316    HB2  PRO  43           2HB      PRO  43  -3.079  -9.217   1.208
  317    HB3  PRO  43           1HB      PRO  43  -4.279  -7.923   1.177
  318    HG2  PRO  43           2HG      PRO  43  -3.878 -10.089   3.178
  319    HG3  PRO  43           1HG      PRO  43  -4.411  -8.422   3.419
  320    HD2  PRO  43           2HD      PRO  43  -6.084 -10.567   3.440
  321    HD3  PRO  43           1HD      PRO  43  -6.593  -8.927   3.003
  322    H    GLU  44           H        GLU  44  -3.931 -11.518   1.879
  323    HA   GLU  44           HA       GLU  44  -3.475 -13.819   0.712
  324    HB2  GLU  44           2HB      GLU  44  -2.650 -12.631  -1.347
  325    HB3  GLU  44           1HB      GLU  44  -1.329 -11.972  -0.391
  326    HG2  GLU  44           2HG      GLU  44  -0.670 -13.914  -1.753
  327    HG3  GLU  44           1HG      GLU  44  -0.428 -14.169  -0.025
  328    H    GLU  45           H        GLU  45  -1.809 -11.019   1.934
  329    HA   GLU  45           HA       GLU  45   0.145 -12.488   3.442
  330    HB2  GLU  45           2HB      GLU  45  -0.663  -9.583   3.431
  331    HB3  GLU  45           1HB      GLU  45   0.579 -10.212   4.500
  332    HG2  GLU  45           2HG      GLU  45   1.537  -9.165   2.534
  333    HG3  GLU  45           1HG      GLU  45   1.903 -10.887   2.579
  334    H    GLU  46           H        GLU  46  -1.894 -10.013   4.888
  335    HA   GLU  46           HA       GLU  46  -2.711 -11.903   6.976
  336    HB2  GLU  46           2HB      GLU  46  -1.398  -9.213   7.433
  337    HB3  GLU  46           1HB      GLU  46  -2.147 -10.183   8.694
  338    HG2  GLU  46           2HG      GLU  46  -0.468 -11.743   8.682
  339    HG3  GLU  46           1HG      GLU  46  -0.012 -11.396   7.016
  340    H    GLY  47           H        GLY  47  -2.935  -8.389   6.831
  341    HA2  GLY  47           2HA      GLY  47  -5.161  -7.811   5.502
  342    HA3  GLY  47           1HA      GLY  47  -5.827  -8.542   6.951
  343    H    MET  48           H        MET  48  -6.174  -7.279   8.648
  344    HA   MET  48           HA       MET  48  -6.012  -4.560   8.546
  345    HB2  MET  48           2HB      MET  48  -7.521  -5.522  10.058
  346    HB3  MET  48           1HB      MET  48  -6.269  -6.463  10.841
  347    HG2  MET  48           2HG      MET  48  -7.031  -4.641  12.237
  348    HG3  MET  48           1HG      MET  48  -5.326  -4.491  11.826
  349    HE1  MET  48           3HE      MET  48  -6.080  -0.826  12.008
  350    HE2  MET  48           1HE      MET  48  -4.986  -2.162  12.373
  351    HE3  MET  48           2HE      MET  48  -6.602  -2.132  13.076
  352    HA   PRO  49           HA       PRO  49  -1.895  -4.680  11.177
  353    HB2  PRO  49           2HB      PRO  49  -0.799  -7.253  10.178
  354    HB3  PRO  49           1HB      PRO  49  -0.711  -6.543  11.796
  355    HG2  PRO  49           2HG      PRO  49  -2.336  -8.582  11.341
  356    HG3  PRO  49           1HG      PRO  49  -2.863  -7.220  12.346
  357    HD2  PRO  49           2HD      PRO  49  -3.503  -7.802   9.473
  358    HD3  PRO  49           1HD      PRO  49  -4.582  -7.304  10.792
  359    H    LEU  50           H        LEU  50  -1.995  -6.377   8.048
  360    HA   LEU  50           HA       LEU  50   0.425  -5.318   7.128
  361    HB2  LEU  50           2HB      LEU  50   0.097  -6.389   5.171
  362    HB3  LEU  50           1HB      LEU  50  -1.003  -7.285   6.187
  363    HG   LEU  50           HG       LEU  50  -2.860  -5.810   5.226
  364   HD11  LEU  50          1HD1      LEU  50  -2.413  -4.860   3.019
  365   HD12  LEU  50          2HD1      LEU  50  -0.701  -5.260   3.185
  366   HD13  LEU  50          3HD1      LEU  50  -1.434  -4.063   4.255
  367   HD21  LEU  50          3HD2      LEU  50  -2.581  -8.123   4.639
  368   HD22  LEU  50          1HD2      LEU  50  -1.308  -7.708   3.491
  369   HD23  LEU  50          2HD2      LEU  50  -2.965  -7.186   3.194
  370    H    ARG  51           H        ARG  51  -2.903  -4.083   6.758
  371    HA   ARG  51           HA       ARG  51  -2.073  -1.900   5.156
  372    HB2  ARG  51           2HB      ARG  51  -4.225  -0.931   5.455
  373    HB3  ARG  51           1HB      ARG  51  -4.442  -2.661   5.292
  374    HG2  ARG  51           2HG      ARG  51  -4.908  -2.903   7.611
  375    HG3  ARG  51           1HG      ARG  51  -4.415  -1.239   7.941
  376    HD2  ARG  51           2HD      ARG  51  -6.288  -0.370   6.728
  377    HD3  ARG  51           1HD      ARG  51  -6.709  -1.971   6.125
  378    HE   ARG  51           HE       ARG  51  -6.823  -2.181   8.859
  379   HH11  ARG  51          1HH1      ARG  51  -8.392  -0.154   6.465
  380   HH12  ARG  51          2HH1      ARG  51  -9.867  -0.016   7.371
  381   HH21  ARG  51          1HH2      ARG  51  -8.769  -2.009  10.032
  382   HH22  ARG  51          2HH2      ARG  51 -10.078  -1.066   9.390
  383    H    ALA  52           H        ALA  52  -2.326  -2.354   8.628
  384    HA   ALA  52           HA       ALA  52  -1.912   0.287   9.422
  385    HB1  ALA  52           1HB      ALA  52  -0.946  -2.218  10.797
  386    HB2  ALA  52           2HB      ALA  52  -2.549  -1.504  10.968
  387    HB3  ALA  52           3HB      ALA  52  -1.128  -0.628  11.537
  388    H    TRP  53           H        TRP  53   0.499  -2.284   8.781
  389    HA   TRP  53           HA       TRP  53   2.682  -0.506   9.251
  390    HB2  TRP  53           2HB      TRP  53   4.127  -2.272   8.799
  391    HB3  TRP  53           1HB      TRP  53   2.706  -3.058   9.447
  392    HD1  TRP  53           HD       TRP  53   1.868  -5.077   8.164
  393    HE1  TRP  53           1HE      TRP  53   2.311  -6.101   5.827
  394    HE3  TRP  53           3HE      TRP  53   4.736  -1.376   6.138
  395    HZ2  TRP  53           2HZ      TRP  53   3.688  -5.461   3.518
  396    HZ3  TRP  53           3HZ      TRP  53   5.628  -1.683   3.866
  397    HH2  TRP  53           HH       TRP  53   5.110  -3.695   2.581
  398    H    VAL  54           H        VAL  54   0.956  -1.612   6.428
  399    HA   VAL  54           HA       VAL  54   2.647  -0.541   4.465
  400    HB   VAL  54           HB       VAL  54  -0.139  -1.481   4.603
  401   HG11  VAL  54          1HG1      VAL  54  -0.588  -0.836   2.251
  402   HG12  VAL  54          2HG1      VAL  54   0.881   0.139   2.267
  403   HG13  VAL  54          3HG1      VAL  54  -0.468   0.562   3.320
  404   HG21  VAL  54          3HG2      VAL  54   1.663  -3.018   4.136
  405   HG22  VAL  54          1HG2      VAL  54   2.142  -2.057   2.738
  406   HG23  VAL  54          2HG2      VAL  54   0.589  -2.891   2.744
  407    H    ILE  55           H        ILE  55  -0.327   0.830   5.927
  408    HA   ILE  55           HA       ILE  55  -0.216   3.297   4.647
  409    HB   ILE  55           HB       ILE  55  -1.312   2.538   7.346
  410   HG12  ILE  55          2HG1      ILE  55  -2.645   3.203   4.715
  411   HG13  ILE  55          1HG1      ILE  55  -2.384   1.579   5.345
  412   HG21  ILE  55          1HG2      ILE  55  -0.722   4.900   7.416
  413   HG22  ILE  55          2HG2      ILE  55  -2.471   4.676   7.398
  414   HG23  ILE  55          3HG2      ILE  55  -1.630   5.183   5.928
  415   HD11  ILE  55          3HD1      ILE  55  -4.671   2.310   5.687
  416   HD12  ILE  55          1HD1      ILE  55  -4.104   3.711   6.597
  417   HD13  ILE  55          2HD1      ILE  55  -3.848   2.085   7.230
  418    H    LYS  56           H        LYS  56   1.288   2.273   7.709
  419    HA   LYS  56           HA       LYS  56   2.455   4.770   8.298
  420    HB2  LYS  56           2HB      LYS  56   2.300   3.090  10.013
  421    HB3  LYS  56           1HB      LYS  56   3.279   1.970   9.074
  422    HG2  LYS  56           2HG      LYS  56   4.536   2.980  10.913
  423    HG3  LYS  56           1HG      LYS  56   5.221   3.388   9.341
  424    HD2  LYS  56           2HD      LYS  56   4.042   5.561   9.435
  425    HD3  LYS  56           1HD      LYS  56   3.468   5.150  11.052
  426    HE2  LYS  56           2HE      LYS  56   5.757   5.028  11.854
  427    HE3  LYS  56           1HE      LYS  56   6.359   5.356  10.230
  428    HZ1  LYS  56           3HZ      LYS  56   4.728   7.209  11.879
  429    HZ2  LYS  56           1HZ      LYS  56   5.293   7.523  10.315
  430    HZ3  LYS  56           2HZ      LYS  56   6.387   7.341  11.589
  431    H    CYS  57           H        CYS  57   3.785   1.920   6.633
  432    HA   CYS  57           HA       CYS  57   6.335   3.021   6.161
  433    HB2  CYS  57           2HB      CYS  57   5.924   0.620   6.030
  434    HB3  CYS  57           1HB      CYS  57   4.850   0.856   4.656
  435    HG   CYS  57           HG       CYS  57   7.467   2.248   3.601
  436    H    ALA  58           H        ALA  58   3.412   2.908   4.145
  437    HA   ALA  58           HA       ALA  58   4.516   4.173   1.888
  438    HB1  ALA  58           1HB      ALA  58   1.663   4.198   2.872
  439    HB2  ALA  58           2HB      ALA  58   2.388   2.994   1.806
  440    HB3  ALA  58           3HB      ALA  58   2.199   4.659   1.258
  441    H    HIS  59           H        HIS  59   2.978   5.361   4.807
  442    HA   HIS  59           HA       HIS  59   2.713   8.075   4.232
  443    HB2  HIS  59           2HB      HIS  59   1.788   6.796   6.212
  444    HB3  HIS  59           1HB      HIS  59   3.393   6.857   6.923
  445    HD1  HIS  59           1HD      HIS  59   1.011   8.069   8.396
  446    HD2  HIS  59           2HD      HIS  59   3.495  10.212   5.859
  447    HE1  HIS  59           1HE      HIS  59   0.779  10.472   9.100
  448    HE2  HIS  59           2HE      HIS  59   2.443  11.720   7.683
  449    H    GLU  60           H        GLU  60   5.336   6.470   6.047
  450    HA   GLU  60           HA       GLU  60   6.912   8.814   6.213
  451    HB2  GLU  60           2HB      GLU  60   8.713   7.275   6.985
  452    HB3  GLU  60           1HB      GLU  60   7.199   7.102   7.861
  453    HG2  GLU  60           2HG      GLU  60   6.661   5.118   6.576
  454    HG3  GLU  60           1HG      GLU  60   8.152   5.298   5.652
  455    H    ALA  61           H        ALA  61   6.825   6.150   3.910
  456    HA   ALA  61           HA       ALA  61   9.215   6.748   2.542
  457    HB1  ALA  61           1HB      ALA  61   7.990   4.635   2.244
  458    HB2  ALA  61           2HB      ALA  61   8.311   5.435   0.705
  459    HB3  ALA  61           3HB      ALA  61   6.701   5.512   1.419
  460    H    LEU  62           H        LEU  62   5.898   7.877   2.131
  461    HA   LEU  62           HA       LEU  62   6.373   9.400  -0.201
  462    HB2  LEU  62           2HB      LEU  62   4.129   8.757   0.425
  463    HB3  LEU  62           1HB      LEU  62   4.246   9.680   1.914
  464    HG   LEU  62           HG       LEU  62   4.688  11.679   0.241
  465   HD11  LEU  62          1HD1      LEU  62   4.670  10.218  -1.746
  466   HD12  LEU  62          2HD1      LEU  62   3.446  11.487  -1.803
  467   HD13  LEU  62          3HD1      LEU  62   2.980   9.832  -1.408
  468   HD21  LEU  62          3HD2      LEU  62   1.967  10.516   0.773
  469   HD22  LEU  62          1HD2      LEU  62   2.305  12.183   0.308
  470   HD23  LEU  62          2HD2      LEU  62   2.880  11.565   1.857
  471    H    GLU  63           H        GLU  63   6.347  10.260   3.252
  472    HA   GLU  63           HA       GLU  63   6.618  13.038   2.841
  473    HB2  GLU  63           2HB      GLU  63   7.468  11.375   5.219
  474    HB3  GLU  63           1HB      GLU  63   7.337  13.128   5.204
  475    HG2  GLU  63           2HG      GLU  63   4.936  12.935   4.759
  476    HG3  GLU  63           1HG      GLU  63   5.080  11.178   4.801
  477    H    LYS  64           H        LYS  64   8.954  10.454   2.870
  478    HA   LYS  64           HA       LYS  64  11.273  12.045   3.221
  479    HB2  LYS  64           2HB      LYS  64  11.185   9.558   3.471
  480    HB3  LYS  64           1HB      LYS  64  11.028   9.429   1.727
  481    HG2  LYS  64           2HG      LYS  64  13.214  10.659   1.543
  482    HG3  LYS  64           1HG      LYS  64  13.377  10.463   3.290
  483    HD2  LYS  64           2HD      LYS  64  13.075   8.230   1.286
  484    HD3  LYS  64           1HD      LYS  64  14.582   8.717   2.058
  485    HE2  LYS  64           2HE      LYS  64  13.704   8.103   4.230
  486    HE3  LYS  64           1HE      LYS  64  12.138   7.715   3.513
  487    HZ1  LYS  64           3HZ      LYS  64  13.400   5.717   3.870
  488    HZ2  LYS  64           1HZ      LYS  64  14.704   6.320   2.978
  489    HZ3  LYS  64           2HZ      LYS  64  13.237   5.980   2.208
  490    H    ASN  65           H        ASN  65   9.415  11.031   0.409
  491    HA   ASN  65           HA       ASN  65  10.732  13.094  -1.174
  492    HB2  ASN  65           2HB      ASN  65  10.880  11.483  -3.126
  493    HB3  ASN  65           1HB      ASN  65  12.029  11.205  -1.826
  494   HD21  ASN  65          1HD2      ASN  65   9.196  10.033  -3.435
  495   HD22  ASN  65          2HD2      ASN  65   9.216   8.436  -2.787
  496    HA   PRO  66           HA       PRO  66   6.115  12.810  -1.403
  497    HB2  PRO  66           2HB      PRO  66   5.520  15.337  -0.755
  498    HB3  PRO  66           1HB      PRO  66   6.031  14.172   0.468
  499    HG2  PRO  66           2HG      PRO  66   7.653  16.275  -0.927
  500    HG3  PRO  66           1HG      PRO  66   7.583  15.889   0.803
  501    HD2  PRO  66           2HD      PRO  66   9.550  14.972  -0.843
  502    HD3  PRO  66           1HD      PRO  66   8.991  14.082   0.586
  503    H    LYS  67           H        LYS  67   7.769  13.006  -3.675
  504    HA   LYS  67           HA       LYS  67   6.235  14.890  -5.347
  505    HB2  LYS  67           2HB      LYS  67   9.145  14.163  -5.748
  506    HB3  LYS  67           1HB      LYS  67   8.209  15.319  -6.678
  507    HG2  LYS  67           2HG      LYS  67   8.820  15.633  -3.763
  508    HG3  LYS  67           1HG      LYS  67   9.783  16.333  -5.064
  509    HD2  LYS  67           2HD      LYS  67   7.813  17.558  -5.851
  510    HD3  LYS  67           1HD      LYS  67   6.866  16.872  -4.529
  511    HE2  LYS  67           2HE      LYS  67   8.415  17.903  -2.934
  512    HE3  LYS  67           1HE      LYS  67   9.285  18.647  -4.270
  513    HZ1  LYS  67           3HZ      LYS  67   7.295  19.862  -4.857
  514    HZ2  LYS  67           1HZ      LYS  67   7.716  20.180  -3.249
  515    HZ3  LYS  67           2HZ      LYS  67   6.437  19.135  -3.598
  516    H    ILE  68           H        ILE  68   6.361  11.850  -4.629
  517    HA   ILE  68           HA       ILE  68   6.947  10.710  -7.234
  518    HB   ILE  68           HB       ILE  68   6.308   8.532  -6.087
  519   HG12  ILE  68          2HG1      ILE  68   6.612  10.237  -3.598
  520   HG13  ILE  68          1HG1      ILE  68   5.091   9.575  -4.188
  521   HG21  ILE  68          1HG2      ILE  68   8.681  10.167  -5.264
  522   HG22  ILE  68          2HG2      ILE  68   8.560   9.006  -6.586
  523   HG23  ILE  68          3HG2      ILE  68   8.518   8.447  -4.914
  524   HD11  ILE  68          3HD1      ILE  68   7.477   7.970  -3.305
  525   HD12  ILE  68          1HD1      ILE  68   5.936   7.319  -3.863
  526   HD13  ILE  68          2HD1      ILE  68   6.010   8.252  -2.367
  527    H    ARG  69           H        ARG  69   5.431   8.773  -7.714
  528    HA   ARG  69           HA       ARG  69   2.721   9.911  -7.967
  529    HB2  ARG  69           2HB      ARG  69   3.814   9.719 -10.124
  530    HB3  ARG  69           1HB      ARG  69   4.244   8.050  -9.801
  531    HG2  ARG  69           2HG      ARG  69   2.345   8.327 -11.376
  532    HG3  ARG  69           1HG      ARG  69   1.964   7.352  -9.955
  533    HD2  ARG  69           2HD      ARG  69   0.176   8.960 -10.558
  534    HD3  ARG  69           1HD      ARG  69   0.815   9.195  -8.932
  535    HE   ARG  69           HE       ARG  69   1.701  10.854 -11.203
  536   HH11  ARG  69          1HH1      ARG  69   0.453  10.519  -7.950
  537   HH12  ARG  69          2HH1      ARG  69   0.484  12.227  -7.618
  538   HH21  ARG  69          1HH2      ARG  69   1.780  13.098 -10.762
  539   HH22  ARG  69          2HH2      ARG  69   1.264  13.685  -9.214
  540    H    GLU  70           H        GLU  70   4.572   6.945  -7.570
  541    HA   GLU  70           HA       GLU  70   2.722   5.955  -5.642
  542    HB2  GLU  70           2HB      GLU  70   2.071   3.920  -6.835
  543    HB3  GLU  70           1HB      GLU  70   1.505   5.364  -7.675
  544    HG2  GLU  70           2HG      GLU  70   3.221   5.144  -9.331
  545    HG3  GLU  70           1HG      GLU  70   4.007   3.854  -8.427
  546    H    VAL  71           H        VAL  71   3.541   4.149  -4.524
  547    HA   VAL  71           HA       VAL  71   6.356   3.545  -5.147
  548    HB   VAL  71           HB       VAL  71   6.074   4.857  -3.062
  549   HG11  VAL  71          1HG1      VAL  71   4.510   2.468  -2.105
  550   HG12  VAL  71          2HG1      VAL  71   3.898   4.103  -2.357
  551   HG13  VAL  71          3HG1      VAL  71   5.076   3.789  -1.082
  552   HG21  VAL  71          3HG2      VAL  71   7.042   2.030  -2.648
  553   HG22  VAL  71          1HG2      VAL  71   7.418   3.403  -1.605
  554   HG23  VAL  71          2HG2      VAL  71   7.985   3.382  -3.275
  555    H    TYR  72           H        TYR  72   7.041   1.383  -4.802
  556    HA   TYR  72           HA       TYR  72   4.817  -0.545  -4.872
  557    HB2  TYR  72           2HB      TYR  72   7.627  -1.080  -5.837
  558    HB3  TYR  72           1HB      TYR  72   6.151  -1.941  -6.253
  559    HD1  TYR  72           2HD      TYR  72   4.593  -1.006  -7.905
  560    HD2  TYR  72           1HD      TYR  72   8.249   0.955  -6.968
  561    HE1  TYR  72           2HE      TYR  72   4.375   0.364  -9.934
  562    HE2  TYR  72           1HE      TYR  72   8.039   2.332  -8.993
  563    HH   TYR  72           HH       TYR  72   5.164   2.516 -10.800
  564    H    LEU  73           H        LEU  73   4.586  -1.544  -2.965
  565    HA   LEU  73           HA       LEU  73   7.013  -1.865  -1.351
  566    HB2  LEU  73           2HB      LEU  73   5.724  -1.654   0.643
  567    HB3  LEU  73           1HB      LEU  73   5.357  -0.316  -0.409
  568    HG   LEU  73           HG       LEU  73   3.253  -1.661  -1.055
  569   HD11  LEU  73          1HD1      LEU  73   2.505  -3.274   0.456
  570   HD12  LEU  73          2HD1      LEU  73   3.696  -2.806   1.656
  571   HD13  LEU  73          3HD1      LEU  73   4.208  -3.681   0.210
  572   HD21  LEU  73          3HD2      LEU  73   2.043  -0.691   0.784
  573   HD22  LEU  73          1HD2      LEU  73   3.319   0.423   0.292
  574   HD23  LEU  73          2HD2      LEU  73   3.518  -0.570   1.741
  575    H    LYS  74           H        LYS  74   7.646  -3.762  -0.670
  576    HA   LYS  74           HA       LYS  74   6.031  -6.097  -1.430
  577    HB2  LYS  74           2HB      LYS  74   8.402  -5.791  -2.319
  578    HB3  LYS  74           1HB      LYS  74   8.958  -6.035  -0.672
  579    HG2  LYS  74           2HG      LYS  74   7.221  -8.085  -1.972
  580    HG3  LYS  74           1HG      LYS  74   8.944  -8.014  -2.339
  581    HD2  LYS  74           2HD      LYS  74   9.428  -8.202   0.080
  582    HD3  LYS  74           1HD      LYS  74   7.699  -8.367   0.384
  583    HE2  LYS  74           2HE      LYS  74   8.904 -10.527   0.323
  584    HE3  LYS  74           1HE      LYS  74   7.604 -10.398  -0.861
  585    HZ1  LYS  74           3HZ      LYS  74  10.415  -9.790  -1.555
  586    HZ2  LYS  74           1HZ      LYS  74   9.137 -10.137  -2.603
  587    HZ3  LYS  74           2HZ      LYS  74   9.812 -11.362  -1.650
  588    HA   PRO  75           HA       PRO  75   5.160  -6.186   2.832
  589    HB2  PRO  75           2HB      PRO  75   3.497  -8.264   2.930
  590    HB3  PRO  75           1HB      PRO  75   3.073  -6.797   2.033
  591    HG2  PRO  75           2HG      PRO  75   4.176  -9.384   1.018
  592    HG3  PRO  75           1HG      PRO  75   2.848  -8.410   0.361
  593    HD2  PRO  75           2HD      PRO  75   5.416  -8.329  -0.610
  594    HD3  PRO  75           1HD      PRO  75   4.275  -6.975  -0.719
  595    H    ARG  76           H        ARG  76   4.868  -7.796   4.633
  596    HA   ARG  76           HA       ARG  76   7.470  -8.755   5.213
  597    HB2  ARG  76           2HB      ARG  76   4.892  -9.081   6.752
  598    HB3  ARG  76           1HB      ARG  76   6.510  -9.311   7.395
  599    HG2  ARG  76           2HG      ARG  76   7.010  -7.015   7.265
  600    HG3  ARG  76           1HG      ARG  76   5.623  -6.691   6.223
  601    HD2  ARG  76           2HD      ARG  76   5.262  -5.924   8.538
  602    HD3  ARG  76           1HD      ARG  76   4.100  -7.156   8.044
  603    HE   ARG  76           HE       ARG  76   6.445  -8.107   9.468
  604   HH11  ARG  76          1HH1      ARG  76   3.102  -7.082   9.672
  605   HH12  ARG  76          2HH1      ARG  76   2.790  -7.945  11.139
  606   HH21  ARG  76          1HH2      ARG  76   6.036  -9.245  11.410
  607   HH22  ARG  76          2HH2      ARG  76   4.461  -9.171  12.132
  608    H    ALA  77           H        ALA  77   4.769 -10.204   3.766
  609    HA   ALA  77           HA       ALA  77   5.287 -12.899   4.585
  610    HB1  ALA  77           1HB      ALA  77   3.646 -13.528   2.908
  611    HB2  ALA  77           2HB      ALA  77   3.669 -11.894   2.248
  612    HB3  ALA  77           3HB      ALA  77   3.048 -12.179   3.873
  613    H    VAL  78           H        VAL  78   7.591 -12.767   4.156
  614    HA   VAL  78           HA       VAL  78   8.711 -12.462   1.613
  615    HB   VAL  78           HB       VAL  78   9.959 -12.369   3.757
  616   HG11  VAL  78          1HG1      VAL  78   9.002 -14.260   4.907
  617   HG12  VAL  78          2HG1      VAL  78  10.749 -14.464   4.779
  618   HG13  VAL  78          3HG1      VAL  78   9.675 -15.368   3.713
  619   HG21  VAL  78          3HG2      VAL  78  11.140 -12.592   1.644
  620   HG22  VAL  78          1HG2      VAL  78  11.049 -14.347   1.770
  621   HG23  VAL  78          2HG2      VAL  78  11.992 -13.428   2.943
  622    H    LYS  79           H        LYS  79   7.043 -15.118   3.062
  623    HA   LYS  79           HA       LYS  79   8.062 -17.242   1.529
  624    HB2  LYS  79           2HB      LYS  79   6.045 -18.454   2.195
  625    HB3  LYS  79           1HB      LYS  79   6.740 -17.588   3.558
  626    HG2  LYS  79           2HG      LYS  79   5.064 -15.824   3.284
  627    HG3  LYS  79           1HG      LYS  79   4.365 -16.709   1.929
  628    HD2  LYS  79           2HD      LYS  79   3.898 -18.599   3.443
  629    HD3  LYS  79           1HD      LYS  79   4.542 -17.656   4.790
  630    HE2  LYS  79           2HE      LYS  79   2.819 -15.978   4.468
  631    HE3  LYS  79           1HE      LYS  79   2.210 -16.845   3.062
  632    HZ1  LYS  79           3HZ      LYS  79   2.199 -17.835   5.860
  633    HZ2  LYS  79           1HZ      LYS  79   1.655 -18.706   4.515
  634    HZ3  LYS  79           2HZ      LYS  79   0.858 -17.293   4.985
  635    H    ASN  80           H        ASN  80   5.749 -14.747   0.754
  636    HA   ASN  80           HA       ASN  80   4.617 -16.161  -1.480
  637    HB2  ASN  80           2HB      ASN  80   4.432 -13.263  -0.676
  638    HB3  ASN  80           1HB      ASN  80   3.604 -13.954  -2.067
  639   HD21  ASN  80          1HD2      ASN  80   2.374 -12.668   0.105
  640   HD22  ASN  80          2HD2      ASN  80   1.382 -13.837   0.886
  641    H    SER  81           H        SER  81   7.137 -13.848  -0.932
  642    HA   SER  81           HA       SER  81   8.733 -12.876  -2.150
  643    HB2  SER  81           2HB      SER  81   9.803 -14.140  -3.941
  644    HB3  SER  81           1HB      SER  81   9.442 -15.182  -2.570
  645    HG   SER  81           HG       SER  81   8.404 -16.389  -3.919
  646    H    SER  82           H        SER  82   6.732 -14.184  -4.792
  647    HA   SER  82           HA       SER  82   7.019 -11.687  -6.223
  648    HB2  SER  82           2HB      SER  82   5.524 -14.204  -6.988
  649    HB3  SER  82           1HB      SER  82   5.940 -12.869  -8.063
  650    HG   SER  82           HG       SER  82   7.928 -14.263  -6.619
  651    H    VAL  83           H        VAL  83   5.704 -10.934  -4.088
  652    HA   VAL  83           HA       VAL  83   3.067 -10.324  -5.207
  653    HB   VAL  83           HB       VAL  83   2.647 -11.927  -3.402
  654   HG11  VAL  83          1HG1      VAL  83   4.661 -11.494  -2.059
  655   HG12  VAL  83          2HG1      VAL  83   3.185 -11.454  -1.090
  656   HG13  VAL  83          3HG1      VAL  83   3.976  -9.946  -1.560
  657   HG21  VAL  83          3HG2      VAL  83   1.017 -10.161  -3.797
  658   HG22  VAL  83          1HG2      VAL  83   1.861  -9.114  -2.660
  659   HG23  VAL  83          2HG2      VAL  83   1.080 -10.588  -2.086
  660    H    GLN  84           H        GLN  84   2.619  -8.190  -5.234
  661    HA   GLN  84           HA       GLN  84   4.347  -6.400  -3.678
  662    HB2  GLN  84           2HB      GLN  84   3.846  -6.131  -6.645
  663    HB3  GLN  84           1HB      GLN  84   4.739  -4.993  -5.646
  664    HG2  GLN  84           2HG      GLN  84   6.412  -6.713  -5.188
  665    HG3  GLN  84           1HG      GLN  84   5.516  -7.846  -6.199
  666   HE21  GLN  84          1HE2      GLN  84   5.474  -7.529  -8.431
  667   HE22  GLN  84          2HE2      GLN  84   6.645  -6.543  -9.229
  668    H    PHE  85           H        PHE  85   3.386  -4.622  -2.929
  669    HA   PHE  85           HA       PHE  85   0.621  -4.084  -3.756
  670    HB2  PHE  85           2HB      PHE  85   2.236  -3.215  -1.361
  671    HB3  PHE  85           1HB      PHE  85   0.675  -2.514  -1.758
  672    HD1  PHE  85           2HD      PHE  85  -1.371  -3.841  -1.563
  673    HD2  PHE  85           1HD      PHE  85   2.405  -5.410  -0.385
  674    HE1  PHE  85           2HE      PHE  85  -2.509  -5.593  -0.267
  675    HE2  PHE  85           1HE      PHE  85   1.270  -7.163   0.917
  676    HZ   PHE  85           HZ       PHE  85  -1.190  -7.252   0.985
  677    H    HIS  86           H        HIS  86   0.221  -2.407  -5.042
  678    HA   HIS  86           HA       HIS  86   2.309  -0.383  -5.436
  679    HB2  HIS  86           2HB      HIS  86  -0.269  -0.916  -6.928
  680    HB3  HIS  86           1HB      HIS  86   0.781   0.456  -7.247
  681    HD1  HIS  86           1HD      HIS  86   2.028   0.058  -9.319
  682    HD2  HIS  86           2HD      HIS  86   1.591  -3.413  -7.073
  683    HE1  HIS  86           1HE      HIS  86   3.174  -1.759 -10.638
  684    HE2  HIS  86           2HE      HIS  86   2.679  -3.878  -9.362
  685    H    VAL  87           H        VAL  87   2.202   1.157  -3.883
  686    HA   VAL  87           HA       VAL  87  -0.437   2.125  -3.093
  687    HB   VAL  87           HB       VAL  87   2.332   2.828  -2.103
  688   HG11  VAL  87          1HG1      VAL  87   1.235   4.235  -0.430
  689   HG12  VAL  87          2HG1      VAL  87  -0.324   3.935  -1.195
  690   HG13  VAL  87          3HG1      VAL  87   0.928   4.825  -2.062
  691   HG21  VAL  87          3HG2      VAL  87   1.485   0.676  -1.348
  692   HG22  VAL  87          1HG2      VAL  87   0.003   1.445  -0.782
  693   HG23  VAL  87          2HG2      VAL  87   1.542   1.826  -0.014
  694    H    ILE  88           H        ILE  88  -1.336   3.507  -4.388
  695    HA   ILE  88           HA       ILE  88   0.359   5.159  -6.118
  696    HB   ILE  88           HB       ILE  88  -2.563   4.448  -6.407
  697   HG12  ILE  88          2HG1      ILE  88  -0.145   3.418  -7.911
  698   HG13  ILE  88          1HG1      ILE  88  -1.022   2.521  -6.677
  699   HG21  ILE  88          1HG2      ILE  88  -2.039   6.592  -7.424
  700   HG22  ILE  88          2HG2      ILE  88  -2.343   5.377  -8.666
  701   HG23  ILE  88          3HG2      ILE  88  -0.690   5.864  -8.298
  702   HD11  ILE  88          3HD1      ILE  88  -1.642   1.792  -8.899
  703   HD12  ILE  88          1HD1      ILE  88  -2.124   3.434  -9.322
  704   HD13  ILE  88          2HD1      ILE  88  -3.014   2.546  -8.086
  705    H    PHE  89           H        PHE  89   0.221   7.331  -6.094
  706    HA   PHE  89           HA       PHE  89  -1.297   8.397  -3.838
  707    HB2  PHE  89           2HB      PHE  89   1.177   9.366  -5.246
  708    HB3  PHE  89           1HB      PHE  89   0.315  10.295  -4.024
  709    HD1  PHE  89           1HD      PHE  89  -0.179   9.097  -1.805
  710    HD2  PHE  89           2HD      PHE  89   2.803   7.858  -4.574
  711    HE1  PHE  89           1HE      PHE  89   0.919   7.800  -0.033
  712    HE2  PHE  89           2HE      PHE  89   3.911   6.562  -2.800
  713    HZ   PHE  89           HZ       PHE  89   2.948   6.534  -0.538
  714    H    ASP  90           H        ASP  90  -3.157   9.259  -4.395
  715    HA   ASP  90           HA       ASP  90  -3.452  10.510  -7.027
  716    HB2  ASP  90           2HB      ASP  90  -5.550   9.723  -4.990
  717    HB3  ASP  90           1HB      ASP  90  -5.885  10.410  -6.574
  718    H    GLU  91           H        GLU  91  -3.332  12.681  -7.175
  719    HA   GLU  91           HA       GLU  91  -3.728  14.324  -4.819
  720    HB2  GLU  91           2HB      GLU  91  -3.201  15.092  -7.699
  721    HB3  GLU  91           1HB      GLU  91  -3.347  16.238  -6.378
  722    HG2  GLU  91           2HG      GLU  91  -1.065  16.020  -6.679
  723    HG3  GLU  91           1HG      GLU  91  -1.406  14.966  -5.309
  724    H    GLU  92           H        GLU  92  -5.723  14.750  -4.166
  725    HA   GLU  92           HA       GLU  92  -7.678  15.708  -6.101
  726    HB2  GLU  92           2HB      GLU  92  -8.455  13.626  -4.050
  727    HB3  GLU  92           1HB      GLU  92  -9.464  14.308  -5.315
  728    HG2  GLU  92           2HG      GLU  92  -7.802  13.259  -6.950
  729    HG3  GLU  92           1HG      GLU  92  -7.228  12.337  -5.561
  Start of MODEL   18
    1    H1   GLY   1           1HT      GLY   1   2.964 -32.815 -18.064
    2    H2   GLY   1           2HT      GLY   1   4.645 -32.876 -18.217
    3    H3   GLY   1           3HT      GLY   1   3.706 -34.205 -18.670
    4    HA2  GLY   1           1HA      GLY   1   4.464 -32.999 -20.613
    5    HA3  GLY   1           2HA      GLY   1   2.714 -32.959 -20.464
    6    H    SER   2           H        SER   2   1.863 -31.024 -19.207
    7    HA   SER   2           HA       SER   2   3.238 -28.651 -20.243
    8    HB2  SER   2           2HB      SER   2   0.909 -29.016 -20.986
    9    HB3  SER   2           1HB      SER   2   0.374 -28.978 -19.309
   10    HG   SER   2           HG       SER   2   1.879 -26.802 -20.083
   11    H    ALA   3           H        ALA   3   4.619 -27.909 -18.746
   12    HA   ALA   3           HA       ALA   3   3.901 -27.875 -15.933
   13    HB1  ALA   3           1HB      ALA   3   6.366 -26.807 -17.310
   14    HB2  ALA   3           2HB      ALA   3   6.202 -28.413 -16.604
   15    HB3  ALA   3           3HB      ALA   3   6.138 -26.985 -15.571
   16    H    MET   4           H        MET   4   2.015 -26.493 -16.378
   17    HA   MET   4           HA       MET   4   2.491 -23.764 -17.196
   18    HB2  MET   4           2HB      MET   4   0.106 -23.459 -16.942
   19    HB3  MET   4           1HB      MET   4   0.403 -24.972 -17.786
   20    HG2  MET   4           2HG      MET   4   0.031 -26.203 -15.709
   21    HG3  MET   4           1HG      MET   4  -0.269 -24.685 -14.865
   22    HE1  MET   4           3HE      MET   4  -1.416 -25.830 -18.487
   23    HE2  MET   4           1HE      MET   4  -3.004 -26.498 -18.108
   24    HE3  MET   4           2HE      MET   4  -1.550 -27.271 -17.478
   25    H    GLY   5           H        GLY   5   2.843 -25.444 -14.336
   26    HA2  GLY   5           2HA      GLY   5   1.790 -23.482 -12.524
   27    HA3  GLY   5           1HA      GLY   5   2.738 -24.895 -12.097
   28    H    HIS   6           H        HIS   6   3.068 -21.696 -13.620
   29    HA   HIS   6           HA       HIS   6   5.830 -21.563 -12.654
   30    HB2  HIS   6           2HB      HIS   6   4.270 -19.679 -14.435
   31    HB3  HIS   6           1HB      HIS   6   5.944 -19.441 -13.956
   32    HD1  HIS   6           1HD      HIS   6   3.963 -20.796 -16.613
   33    HD2  HIS   6           2HD      HIS   6   7.628 -21.741 -14.893
   34    HE1  HIS   6           1HE      HIS   6   5.167 -22.200 -18.314
   35    HE2  HIS   6           2HE      HIS   6   7.361 -22.805 -17.237
   36    H    MET   7           H        MET   7   2.873 -20.983 -11.470
   37    HA   MET   7           HA       MET   7   2.077 -19.955  -9.621
   38    HB2  MET   7           2HB      MET   7   4.228 -20.437  -8.544
   39    HB3  MET   7           1HB      MET   7   4.908 -18.967  -9.226
   40    HG2  MET   7           2HG      MET   7   4.312 -18.683  -6.883
   41    HG3  MET   7           1HG      MET   7   3.369 -17.621  -7.926
   42    HE1  MET   7           3HE      MET   7   2.664 -18.307  -4.866
   43    HE2  MET   7           1HE      MET   7   0.913 -18.504  -4.974
   44    HE3  MET   7           2HE      MET   7   1.712 -17.201  -5.856
   45    HA   PRO   8           HA       PRO   8   1.083 -16.181 -11.854
   46    HB2  PRO   8           2HB      PRO   8  -1.011 -16.050  -9.770
   47    HB3  PRO   8           1HB      PRO   8  -1.171 -16.011 -11.528
   48    HG2  PRO   8           2HG      PRO   8  -1.886 -18.169 -10.123
   49    HG3  PRO   8           1HG      PRO   8  -1.120 -18.316 -11.717
   50    HD2  PRO   8           2HD      PRO   8   0.077 -18.677  -8.997
   51    HD3  PRO   8           1HD      PRO   8   0.340 -19.618 -10.478
   52    H    ALA   9           H        ALA   9   1.585 -14.090 -11.475
   53    HA   ALA   9           HA       ALA   9   2.766 -13.433  -8.913
   54    HB1  ALA   9           1HB      ALA   9   3.928 -12.787 -10.960
   55    HB2  ALA   9           2HB      ALA   9   3.485 -11.370 -10.010
   56    HB3  ALA   9           3HB      ALA   9   2.548 -11.801 -11.441
   57    H    VAL  10           H        VAL  10   1.691 -12.480  -7.334
   58    HA   VAL  10           HA       VAL  10  -0.973 -11.418  -7.924
   59    HB   VAL  10           HB       VAL  10   0.294 -12.046  -5.250
   60   HG11  VAL  10          1HG1      VAL  10  -1.989 -11.864  -4.371
   61   HG12  VAL  10          2HG1      VAL  10  -2.558 -11.368  -5.967
   62   HG13  VAL  10          3HG1      VAL  10  -1.434 -10.343  -5.073
   63   HG21  VAL  10          3HG2      VAL  10  -1.709 -13.621  -6.866
   64   HG22  VAL  10          1HG2      VAL  10  -1.168 -14.014  -5.236
   65   HG23  VAL  10          2HG2      VAL  10  -0.028 -14.063  -6.578
   66    H    ASP  11           H        ASP  11  -1.208  -9.314  -8.152
   67    HA   ASP  11           HA       ASP  11   0.517  -7.529  -6.583
   68    HB2  ASP  11           2HB      ASP  11   0.660  -5.975  -8.434
   69    HB3  ASP  11           1HB      ASP  11   1.214  -7.555  -8.977
   70    H    VAL  12           H        VAL  12  -0.505  -5.984  -5.487
   71    HA   VAL  12           HA       VAL  12  -3.366  -5.569  -6.061
   72    HB   VAL  12           HB       VAL  12  -2.586  -6.654  -3.798
   73   HG11  VAL  12          1HG1      VAL  12  -0.959  -5.135  -3.077
   74   HG12  VAL  12          2HG1      VAL  12  -2.347  -4.928  -2.012
   75   HG13  VAL  12          3HG1      VAL  12  -2.035  -3.758  -3.293
   76   HG21  VAL  12          3HG2      VAL  12  -4.512  -5.668  -2.650
   77   HG22  VAL  12          1HG2      VAL  12  -4.894  -6.068  -4.325
   78   HG23  VAL  12          2HG2      VAL  12  -4.583  -4.393  -3.866
   79    H    GLU  13           H        GLU  13  -4.051  -3.451  -6.301
   80    HA   GLU  13           HA       GLU  13  -1.914  -1.446  -6.089
   81    HB2  GLU  13           2HB      GLU  13  -4.433  -1.396  -7.755
   82    HB3  GLU  13           1HB      GLU  13  -3.278  -0.076  -7.644
   83    HG2  GLU  13           2HG      GLU  13  -1.534  -1.671  -8.487
   84    HG3  GLU  13           1HG      GLU  13  -2.844  -2.805  -8.811
   85    H    ILE  14           H        ILE  14  -2.002  -0.373  -4.280
   86    HA   ILE  14           HA       ILE  14  -4.621   0.259  -3.122
   87    HB   ILE  14           HB       ILE  14  -1.951   0.678  -1.777
   88   HG12  ILE  14          2HG1      ILE  14  -3.762  -1.753  -1.595
   89   HG13  ILE  14          1HG1      ILE  14  -2.169  -1.718  -2.339
   90   HG21  ILE  14          1HG2      ILE  14  -4.767   0.415  -0.734
   91   HG22  ILE  14          2HG2      ILE  14  -3.835   1.907  -0.866
   92   HG23  ILE  14          3HG2      ILE  14  -3.323   0.644   0.253
   93   HD11  ILE  14          3HD1      ILE  14  -1.146  -1.265  -0.183
   94   HD12  ILE  14          1HD1      ILE  14  -2.133  -2.725  -0.108
   95   HD13  ILE  14          2HD1      ILE  14  -2.738  -1.219   0.580
   96    H    HIS  15           H        HIS  15  -5.374   2.262  -3.361
   97    HA   HIS  15           HA       HIS  15  -3.522   4.320  -4.322
   98    HB2  HIS  15           2HB      HIS  15  -6.543   4.177  -4.389
   99    HB3  HIS  15           1HB      HIS  15  -5.615   5.575  -4.918
  100    HD1  HIS  15           1HD      HIS  15  -6.904   2.354  -6.059
  101    HD2  HIS  15           2HD      HIS  15  -3.943   5.022  -7.238
  102    HE1  HIS  15           1HE      HIS  15  -6.313   1.705  -8.408
  103    HE2  HIS  15           2HE      HIS  15  -4.655   3.445  -9.163
  104    H    PHE  16           H        PHE  16  -2.885   5.895  -3.030
  105    HA   PHE  16           HA       PHE  16  -4.531   6.515  -0.661
  106    HB2  PHE  16           2HB      PHE  16  -1.526   6.680  -0.968
  107    HB3  PHE  16           1HB      PHE  16  -2.427   7.286   0.412
  108    HD1  PHE  16           2HD      PHE  16  -4.386   4.972   0.630
  109    HD2  PHE  16           1HD      PHE  16  -0.169   5.116   0.122
  110    HE1  PHE  16           2HE      PHE  16  -4.179   2.795   1.750
  111    HE2  PHE  16           1HE      PHE  16   0.042   2.935   1.239
  112    HZ   PHE  16           HZ       PHE  16  -1.964   1.778   2.056
  113    HA   PRO  17           HA       PRO  17  -4.751  10.639  -2.517
  114    HB2  PRO  17           2HB      PRO  17  -5.601  11.277   0.250
  115    HB3  PRO  17           1HB      PRO  17  -6.394  11.661  -1.280
  116    HG2  PRO  17           2HG      PRO  17  -7.364   9.769   0.321
  117    HG3  PRO  17           1HG      PRO  17  -7.378   9.566  -1.441
  118    HD2  PRO  17           2HD      PRO  17  -5.546   8.363   0.593
  119    HD3  PRO  17           1HD      PRO  17  -6.251   7.631  -0.864
  120    H    LEU  18           H        LEU  18  -2.918  11.709  -2.728
  121    HA   LEU  18           HA       LEU  18  -0.670  11.384  -1.140
  122    HB2  LEU  18           2HB      LEU  18  -0.693  12.096  -3.507
  123    HB3  LEU  18           1HB      LEU  18  -1.297  13.666  -3.015
  124    HG   LEU  18           HG       LEU  18   1.284  12.745  -1.840
  125   HD11  LEU  18          1HD1      LEU  18   0.992  13.800  -4.650
  126   HD12  LEU  18          2HD1      LEU  18   1.515  12.177  -4.202
  127   HD13  LEU  18          3HD1      LEU  18   2.512  13.572  -3.787
  128   HD21  LEU  18          3HD2      LEU  18   1.811  15.128  -2.019
  129   HD22  LEU  18          1HD2      LEU  18   0.296  14.875  -1.152
  130   HD23  LEU  18          2HD2      LEU  18   0.272  15.411  -2.833
  131    H    LYS  19           H        LYS  19  -3.159  13.867  -0.990
  132    HA   LYS  19           HA       LYS  19  -1.649  15.543   0.798
  133    HB2  LYS  19           2HB      LYS  19  -4.543  15.569  -0.048
  134    HB3  LYS  19           1HB      LYS  19  -3.853  16.747   1.059
  135    HG2  LYS  19           2HG      LYS  19  -2.334  17.523  -0.645
  136    HG3  LYS  19           1HG      LYS  19  -2.891  16.267  -1.753
  137    HD2  LYS  19           2HD      LYS  19  -5.118  17.243  -1.760
  138    HD3  LYS  19           1HD      LYS  19  -4.600  18.487  -0.621
  139    HE2  LYS  19           2HE      LYS  19  -2.993  19.292  -2.288
  140    HE3  LYS  19           1HE      LYS  19  -3.545  18.033  -3.390
  141    HZ1  LYS  19           3HZ      LYS  19  -5.277  20.180  -2.306
  142    HZ2  LYS  19           1HZ      LYS  19  -5.712  19.019  -3.462
  143    HZ3  LYS  19           2HZ      LYS  19  -4.561  20.204  -3.837
  144    H    ARG  20           H        ARG  20  -3.908  12.922   1.183
  145    HA   ARG  20           HA       ARG  20  -4.303  13.586   3.991
  146    HB2  ARG  20           2HB      ARG  20  -5.564  11.521   2.212
  147    HB3  ARG  20           1HB      ARG  20  -5.787  11.511   3.954
  148    HG2  ARG  20           2HG      ARG  20  -7.566  12.779   3.502
  149    HG3  ARG  20           1HG      ARG  20  -6.387  14.084   3.393
  150    HD2  ARG  20           2HD      ARG  20  -7.077  14.442   1.307
  151    HD3  ARG  20           1HD      ARG  20  -6.400  12.873   0.869
  152    HE   ARG  20           HE       ARG  20  -8.851  12.280   1.921
  153   HH11  ARG  20          1HH1      ARG  20  -7.695  14.275  -0.737
  154   HH12  ARG  20          2HH1      ARG  20  -9.186  14.151  -1.623
  155   HH21  ARG  20          1HH2      ARG  20 -10.775  12.112   0.745
  156   HH22  ARG  20          2HH2      ARG  20 -10.939  12.915  -0.786
  157    H    ILE  21           H        ILE  21  -2.613  11.215   2.024
  158    HA   ILE  21           HA       ILE  21  -1.968   9.482   4.188
  159    HB   ILE  21           HB       ILE  21  -1.821   8.792   1.814
  160   HG12  ILE  21          2HG1      ILE  21   0.174   7.423   2.030
  161   HG13  ILE  21          1HG1      ILE  21   0.830   8.515   3.247
  162   HG21  ILE  21          1HG2      ILE  21   0.631  10.544   1.765
  163   HG22  ILE  21          2HG2      ILE  21  -0.857  10.791   0.852
  164   HG23  ILE  21          3HG2      ILE  21   0.175   9.405   0.500
  165   HD11  ILE  21          3HD1      ILE  21  -1.670   6.871   3.572
  166   HD12  ILE  21          1HD1      ILE  21  -0.900   7.876   4.799
  167   HD13  ILE  21          2HD1      ILE  21  -0.076   6.440   4.195
  168    H    ALA  22           H        ALA  22  -0.814  12.542   3.180
  169    HA   ALA  22           HA       ALA  22   1.665  12.378   4.686
  170    HB1  ALA  22           1HB      ALA  22   2.057  14.644   3.929
  171    HB2  ALA  22           2HB      ALA  22   0.409  14.750   3.311
  172    HB3  ALA  22           3HB      ALA  22   1.558  13.641   2.565
  173    H    ALA  23           H        ALA  23  -1.532  12.843   5.402
  174    HA   ALA  23           HA       ALA  23  -1.132  14.899   7.426
  175    HB1  ALA  23           1HB      ALA  23  -3.553  14.794   7.716
  176    HB2  ALA  23           2HB      ALA  23  -3.633  13.427   6.605
  177    HB3  ALA  23           3HB      ALA  23  -3.127  15.011   6.019
  178    H    GLU  24           H        GLU  24  -1.530  14.576   9.621
  179    HA   GLU  24           HA       GLU  24  -0.864  11.947  10.595
  180    HB2  GLU  24           2HB      GLU  24  -1.524  14.490  12.093
  181    HB3  GLU  24           1HB      GLU  24  -0.865  13.024  12.807
  182    HG2  GLU  24           2HG      GLU  24   1.151  13.261  11.471
  183    HG3  GLU  24           1HG      GLU  24   0.491  14.710  10.718
  184    H    GLY  25           H        GLY  25  -3.697  13.821  10.098
  185    HA2  GLY  25           2HA      GLY  25  -5.337  12.010  11.712
  186    HA3  GLY  25           1HA      GLY  25  -5.892  13.472  10.904
  187    H    TYR  26           H        TYR  26  -3.939  10.954   9.471
  188    HA   TYR  26           HA       TYR  26  -5.466  10.831   7.127
  189    HB2  TYR  26           2HB      TYR  26  -4.060   8.893   6.554
  190    HB3  TYR  26           1HB      TYR  26  -3.106  10.233   7.172
  191    HD1  TYR  26           1HD      TYR  26  -2.048  10.091   9.382
  192    HD2  TYR  26           2HD      TYR  26  -4.216   6.810   7.767
  193    HE1  TYR  26           1HE      TYR  26  -1.020   8.599  11.043
  194    HE2  TYR  26           2HE      TYR  26  -3.198   5.312   9.421
  195    HH   TYR  26           HH       TYR  26  -1.509   6.440  12.131
  196    H    ALA  27           H        ALA  27  -5.700   9.079  10.127
  197    HA   ALA  27           HA       ALA  27  -7.268   6.918   9.119
  198    HB1  ALA  27           1HB      ALA  27  -7.668   6.379  11.461
  199    HB2  ALA  27           2HB      ALA  27  -6.987   7.929  11.944
  200    HB3  ALA  27           3HB      ALA  27  -5.963   6.721  11.173
  201    H    GLU  28           H        GLU  28  -7.959  10.140   9.505
  202    HA   GLU  28           HA       GLU  28 -10.799   9.703  10.043
  203    HB2  GLU  28           2HB      GLU  28  -9.107  12.194   9.919
  204    HB3  GLU  28           1HB      GLU  28 -10.859  12.238  10.048
  205    HG2  GLU  28           2HG      GLU  28  -9.046  10.871  12.020
  206    HG3  GLU  28           1HG      GLU  28  -9.675  12.507  12.206
  207    H    ASP  29           H        ASP  29  -8.785   9.700   7.441
  208    HA   ASP  29           HA       ASP  29 -10.570  11.151   5.654
  209    HB2  ASP  29           2HB      ASP  29  -8.225  11.497   5.239
  210    HB3  ASP  29           1HB      ASP  29  -7.933   9.760   5.146
  211    H    GLU  30           H        GLU  30 -12.195  10.209   4.675
  212    HA   GLU  30           HA       GLU  30 -12.822   7.499   5.136
  213    HB2  GLU  30           2HB      GLU  30 -14.423   9.455   4.732
  214    HB3  GLU  30           1HB      GLU  30 -14.077   9.241   3.021
  215    HG2  GLU  30           2HG      GLU  30 -16.062   8.070   3.403
  216    HG3  GLU  30           1HG      GLU  30 -14.805   6.836   3.320
  217    H    LEU  31           H        LEU  31 -11.314   9.222   2.512
  218    HA   LEU  31           HA       LEU  31 -11.542   7.291   0.497
  219    HB2  LEU  31           2HB      LEU  31 -10.016   9.721   1.001
  220    HB3  LEU  31           1HB      LEU  31  -9.090   8.532   0.106
  221    HG   LEU  31           HG       LEU  31 -10.212  10.110  -1.383
  222   HD11  LEU  31          1HD1      LEU  31  -9.806   7.824  -2.126
  223   HD12  LEU  31          2HD1      LEU  31 -11.272   8.488  -2.847
  224   HD13  LEU  31          3HD1      LEU  31 -11.385   7.341  -1.512
  225   HD21  LEU  31          3HD2      LEU  31 -12.754   9.026  -0.180
  226   HD22  LEU  31          1HD2      LEU  31 -12.653  10.100  -1.575
  227   HD23  LEU  31          2HD2      LEU  31 -12.122  10.662   0.011
  228    H    LEU  32           H        LEU  32  -9.145   7.813   3.036
  229    HA   LEU  32           HA       LEU  32  -7.390   5.788   2.115
  230    HB2  LEU  32           2HB      LEU  32  -6.771   7.780   3.469
  231    HB3  LEU  32           1HB      LEU  32  -7.635   7.084   4.829
  232    HG   LEU  32           HG       LEU  32  -6.102   5.144   4.724
  233   HD11  LEU  32          1HD1      LEU  32  -4.651   6.888   2.753
  234   HD12  LEU  32          2HD1      LEU  32  -5.401   5.326   2.423
  235   HD13  LEU  32          3HD1      LEU  32  -3.997   5.423   3.486
  236   HD21  LEU  32          3HD2      LEU  32  -4.815   7.829   5.121
  237   HD22  LEU  32          1HD2      LEU  32  -4.214   6.296   5.753
  238   HD23  LEU  32          2HD2      LEU  32  -5.755   6.943   6.321
  239    H    LEU  33           H        LEU  33  -9.985   6.044   4.431
  240    HA   LEU  33           HA       LEU  33  -9.624   3.518   5.637
  241    HB2  LEU  33           2HB      LEU  33 -11.528   5.708   5.750
  242    HB3  LEU  33           1HB      LEU  33 -12.221   4.138   6.084
  243    HG   LEU  33           HG       LEU  33 -11.482   5.336   8.116
  244   HD11  LEU  33          1HD1      LEU  33 -11.617   2.901   8.092
  245   HD12  LEU  33          2HD1      LEU  33 -10.307   3.462   9.129
  246   HD13  LEU  33          3HD1      LEU  33  -9.949   2.814   7.529
  247   HD21  LEU  33          3HD2      LEU  33  -9.562   6.512   7.181
  248   HD22  LEU  33          1HD2      LEU  33  -8.723   4.977   6.955
  249   HD23  LEU  33          2HD2      LEU  33  -9.089   5.551   8.583
  250    H    ASN  34           H        ASN  34 -11.828   4.658   3.071
  251    HA   ASN  34           HA       ASN  34 -13.094   2.104   2.904
  252    HB2  ASN  34           2HB      ASN  34 -14.357   2.976   1.037
  253    HB3  ASN  34           1HB      ASN  34 -14.294   4.178   2.310
  254   HD21  ASN  34          1HD2      ASN  34 -14.654   5.956   1.117
  255   HD22  ASN  34          2HD2      ASN  34 -13.607   6.525  -0.136
  256    H    GLN  35           H        GLN  35 -10.420   3.634   1.290
  257    HA   GLN  35           HA       GLN  35 -10.267   1.780  -0.883
  258    HB2  GLN  35           2HB      GLN  35  -9.136   4.231  -0.165
  259    HB3  GLN  35           1HB      GLN  35  -7.782   3.116  -0.206
  260    HG2  GLN  35           2HG      GLN  35  -7.869   2.883  -2.444
  261    HG3  GLN  35           1HG      GLN  35  -9.628   3.020  -2.499
  262   HE21  GLN  35          1HE2      GLN  35  -7.872   5.403  -0.737
  263   HE22  GLN  35          2HE2      GLN  35  -8.021   6.681  -1.886
  264    H    MET  36           H        MET  36  -8.483   2.224   2.153
  265    HA   MET  36           HA       MET  36  -7.074  -0.285   1.671
  266    HB2  MET  36           2HB      MET  36  -5.882   1.824   2.459
  267    HB3  MET  36           1HB      MET  36  -6.656   1.551   4.017
  268    HG2  MET  36           2HG      MET  36  -4.347   0.649   3.850
  269    HG3  MET  36           1HG      MET  36  -5.569  -0.553   4.275
  270    HE1  MET  36           3HE      MET  36  -3.564  -2.980   2.151
  271    HE2  MET  36           1HE      MET  36  -4.565  -2.740   3.581
  272    HE3  MET  36           2HE      MET  36  -3.025  -1.893   3.429
  273    H    GLY  37           H        GLY  37  -9.921   0.641   3.007
  274    HA2  GLY  37           2HA      GLY  37  -9.970  -1.603   4.876
  275    HA3  GLY  37           1HA      GLY  37 -11.313  -0.523   4.501
  276    H    LYS  38           H        LYS  38 -10.720  -0.750   1.625
  277    HA   LYS  38           HA       LYS  38 -12.330  -2.986   0.965
  278    HB2  LYS  38           2HB      LYS  38 -12.178  -0.859  -0.349
  279    HB3  LYS  38           1HB      LYS  38 -10.565  -1.351  -0.851
  280    HG2  LYS  38           2HG      LYS  38 -12.205  -1.837  -2.579
  281    HG3  LYS  38           1HG      LYS  38 -11.503  -3.325  -1.943
  282    HD2  LYS  38           2HD      LYS  38 -13.462  -3.655  -0.527
  283    HD3  LYS  38           1HD      LYS  38 -14.162  -2.155  -1.134
  284    HE2  LYS  38           2HE      LYS  38 -14.223  -3.097  -3.386
  285    HE3  LYS  38           1HE      LYS  38 -13.510  -4.592  -2.784
  286    HZ1  LYS  38           3HZ      LYS  38 -16.116  -3.482  -1.895
  287    HZ2  LYS  38           1HZ      LYS  38 -15.443  -4.961  -1.424
  288    HZ3  LYS  38           2HZ      LYS  38 -15.930  -4.726  -3.028
  289    H    VAL  39           H        VAL  39  -8.974  -2.265  -0.074
  290    HA   VAL  39           HA       VAL  39  -8.647  -5.113  -0.635
  291    HB   VAL  39           HB       VAL  39  -6.466  -4.477  -1.646
  292   HG11  VAL  39          1HG1      VAL  39  -7.417  -3.338  -3.595
  293   HG12  VAL  39          2HG1      VAL  39  -8.860  -2.947  -2.658
  294   HG13  VAL  39          3HG1      VAL  39  -8.468  -4.629  -3.014
  295   HG21  VAL  39          3HG2      VAL  39  -7.341  -1.649  -1.051
  296   HG22  VAL  39          1HG2      VAL  39  -5.959  -2.120  -2.041
  297   HG23  VAL  39          2HG2      VAL  39  -5.974  -2.489  -0.317
  298    H    ASN  40           H        ASN  40  -8.823  -5.512   1.727
  299    HA   ASN  40           HA       ASN  40  -6.227  -5.375   3.023
  300    HB2  ASN  40           2HB      ASN  40  -7.316  -3.224   3.480
  301    HB3  ASN  40           1HB      ASN  40  -8.673  -4.075   4.219
  302   HD21  ASN  40          1HD2      ASN  40  -5.269  -4.832   4.467
  303   HD22  ASN  40          2HD2      ASN  40  -5.145  -4.584   6.172
  304    H    ASP  41           H        ASP  41  -9.478  -6.631   2.900
  305    HA   ASP  41           HA       ASP  41  -9.409  -8.011   5.392
  306    HB2  ASP  41           2HB      ASP  41 -11.529  -7.487   4.262
  307    HB3  ASP  41           1HB      ASP  41 -11.100  -8.565   2.947
  308    H    THR  42           H        THR  42  -8.835  -8.877   2.056
  309    HA   THR  42           HA       THR  42  -7.609 -11.382   2.970
  310    HB   THR  42           HB       THR  42  -9.088 -11.044   0.358
  311    HG1  THR  42           1HG      THR  42 -10.286 -10.958   2.590
  312   HG21  THR  42          3HG2      THR  42  -9.067 -13.470   0.356
  313   HG22  THR  42          1HG2      THR  42  -8.241 -13.478   1.913
  314   HG23  THR  42          2HG2      THR  42  -7.424 -12.843   0.483
  315    HA   PRO  43           HA       PRO  43  -4.609  -9.053   0.343
  316    HB2  PRO  43           2HB      PRO  43  -2.798  -8.395   2.216
  317    HB3  PRO  43           1HB      PRO  43  -4.264  -7.445   1.960
  318    HG2  PRO  43           2HG      PRO  43  -3.575  -9.270   4.184
  319    HG3  PRO  43           1HG      PRO  43  -4.701  -7.912   4.151
  320    HD2  PRO  43           2HD      PRO  43  -5.294 -10.698   3.913
  321    HD3  PRO  43           1HD      PRO  43  -6.420  -9.331   3.850
  322    H    GLU  44           H        GLU  44  -4.663 -11.875   2.081
  323    HA   GLU  44           HA       GLU  44  -3.450 -13.785   2.148
  324    HB2  GLU  44           2HB      GLU  44  -3.036 -13.419  -0.265
  325    HB3  GLU  44           1HB      GLU  44  -1.610 -12.472   0.135
  326    HG2  GLU  44           2HG      GLU  44  -1.081 -14.774  -0.550
  327    HG3  GLU  44           1HG      GLU  44  -0.531 -14.399   1.084
  328    H    GLU  45           H        GLU  45  -1.490 -10.873   2.118
  329    HA   GLU  45           HA       GLU  45   0.680 -11.540   3.644
  330    HB2  GLU  45           2HB      GLU  45  -0.753  -9.155   2.896
  331    HB3  GLU  45           1HB      GLU  45  -0.154  -9.010   4.540
  332    HG2  GLU  45           2HG      GLU  45   1.634  -9.909   2.328
  333    HG3  GLU  45           1HG      GLU  45   1.312  -8.198   2.610
  334    H    GLU  46           H        GLU  46  -1.817  -9.602   5.182
  335    HA   GLU  46           HA       GLU  46  -2.021 -11.470   7.417
  336    HB2  GLU  46           2HB      GLU  46  -1.310  -8.549   7.785
  337    HB3  GLU  46           1HB      GLU  46  -1.606  -9.711   9.064
  338    HG2  GLU  46           2HG      GLU  46   0.372 -10.979   8.329
  339    HG3  GLU  46           1HG      GLU  46   0.676  -9.745   7.107
  340    H    GLY  47           H        GLY  47  -2.814  -8.083   6.943
  341    HA2  GLY  47           2HA      GLY  47  -5.279  -7.863   6.087
  342    HA3  GLY  47           1HA      GLY  47  -5.587  -8.607   7.647
  343    H    MET  48           H        MET  48  -5.685  -7.303   9.414
  344    HA   MET  48           HA       MET  48  -5.726  -4.549   9.166
  345    HB2  MET  48           2HB      MET  48  -6.883  -5.693  10.968
  346    HB3  MET  48           1HB      MET  48  -5.347  -6.185  11.663
  347    HG2  MET  48           2HG      MET  48  -6.375  -4.285  12.817
  348    HG3  MET  48           1HG      MET  48  -4.771  -3.938  12.172
  349    HE1  MET  48           3HE      MET  48  -5.861  -0.481  11.467
  350    HE2  MET  48           1HE      MET  48  -4.551  -1.606  11.828
  351    HE3  MET  48           2HE      MET  48  -5.910  -1.453  12.937
  352    HA   PRO  49           HA       PRO  49  -1.245  -4.366  11.001
  353    HB2  PRO  49           2HB      PRO  49  -0.035  -6.917  10.228
  354    HB3  PRO  49           1HB      PRO  49  -0.051  -6.127  11.806
  355    HG2  PRO  49           2HG      PRO  49  -1.456  -8.380  11.288
  356    HG3  PRO  49           1HG      PRO  49  -1.998  -7.159  12.449
  357    HD2  PRO  49           2HD      PRO  49  -2.900  -7.641   9.638
  358    HD3  PRO  49           1HD      PRO  49  -3.852  -7.226  11.068
  359    H    LEU  50           H        LEU  50  -1.890  -6.346   8.201
  360    HA   LEU  50           HA       LEU  50   0.144  -5.550   6.474
  361    HB2  LEU  50           2HB      LEU  50  -1.206  -7.401   5.925
  362    HB3  LEU  50           1HB      LEU  50  -2.683  -6.497   6.130
  363    HG   LEU  50           HG       LEU  50  -1.954  -7.225   3.781
  364   HD11  LEU  50          1HD1      LEU  50  -2.945  -5.230   2.776
  365   HD12  LEU  50          2HD1      LEU  50  -2.779  -4.385   4.317
  366   HD13  LEU  50          3HD1      LEU  50  -3.842  -5.784   4.188
  367   HD21  LEU  50          3HD2      LEU  50   0.327  -6.424   3.856
  368   HD22  LEU  50          1HD2      LEU  50  -0.251  -4.773   4.091
  369   HD23  LEU  50          2HD2      LEU  50  -0.588  -5.618   2.581
  370    H    ARG  51           H        ARG  51  -3.054  -4.154   7.021
  371    HA   ARG  51           HA       ARG  51  -2.756  -1.918   5.349
  372    HB2  ARG  51           2HB      ARG  51  -4.930  -2.271   5.891
  373    HB3  ARG  51           1HB      ARG  51  -4.569  -2.761   7.535
  374    HG2  ARG  51           2HG      ARG  51  -4.235  -0.412   8.144
  375    HG3  ARG  51           1HG      ARG  51  -4.622   0.060   6.485
  376    HD2  ARG  51           2HD      ARG  51  -6.845  -0.705   6.678
  377    HD3  ARG  51           1HD      ARG  51  -6.492  -1.589   8.161
  378    HE   ARG  51           HE       ARG  51  -6.018   1.170   8.544
  379   HH11  ARG  51          1HH1      ARG  51  -8.640  -1.124   8.155
  380   HH12  ARG  51          2HH1      ARG  51  -9.754  -0.199   9.111
  381   HH21  ARG  51          1HH2      ARG  51  -7.491   2.376   9.811
  382   HH22  ARG  51          2HH2      ARG  51  -9.105   1.782  10.047
  383    H    ALA  52           H        ALA  52  -2.175  -2.356   8.809
  384    HA   ALA  52           HA       ALA  52  -1.506   0.266   9.431
  385    HB1  ALA  52           1HB      ALA  52  -0.419  -2.245  10.698
  386    HB2  ALA  52           2HB      ALA  52  -1.945  -1.465  11.109
  387    HB3  ALA  52           3HB      ALA  52  -0.421  -0.632  11.410
  388    H    TRP  53           H        TRP  53   0.669  -2.412   8.408
  389    HA   TRP  53           HA       TRP  53   2.960  -0.726   8.632
  390    HB2  TRP  53           2HB      TRP  53   4.278  -2.531   8.034
  391    HB3  TRP  53           1HB      TRP  53   2.882  -3.316   8.742
  392    HD1  TRP  53           HD       TRP  53   1.767  -5.157   7.357
  393    HE1  TRP  53           1HE      TRP  53   2.042  -6.074   4.957
  394    HE3  TRP  53           3HE      TRP  53   4.918  -1.595   5.465
  395    HZ2  TRP  53           2HZ      TRP  53   3.377  -5.361   2.594
  396    HZ3  TRP  53           3HZ      TRP  53   5.651  -1.798   3.126
  397    HH2  TRP  53           HH       TRP  53   4.894  -3.649   1.722
  398    H    VAL  54           H        VAL  54   0.858  -1.656   5.963
  399    HA   VAL  54           HA       VAL  54   2.581  -0.613   3.965
  400    HB   VAL  54           HB       VAL  54   0.569  -2.304   3.801
  401   HG11  VAL  54          1HG1      VAL  54  -1.368  -1.260   2.661
  402   HG12  VAL  54          2HG1      VAL  54  -0.734   0.318   3.128
  403   HG13  VAL  54          3HG1      VAL  54  -1.222  -0.838   4.367
  404   HG21  VAL  54          3HG2      VAL  54   1.362  -0.379   1.622
  405   HG22  VAL  54          1HG2      VAL  54   0.514  -1.903   1.361
  406   HG23  VAL  54          2HG2      VAL  54   2.147  -1.906   2.029
  407    H    ILE  55           H        ILE  55  -0.281   0.705   5.631
  408    HA   ILE  55           HA       ILE  55  -0.203   3.232   4.381
  409    HB   ILE  55           HB       ILE  55  -1.271   2.365   7.065
  410   HG12  ILE  55          2HG1      ILE  55  -2.622   3.065   4.452
  411   HG13  ILE  55          1HG1      ILE  55  -2.365   1.437   5.076
  412   HG21  ILE  55          1HG2      ILE  55  -0.713   4.728   7.199
  413   HG22  ILE  55          2HG2      ILE  55  -2.459   4.486   7.184
  414   HG23  ILE  55          3HG2      ILE  55  -1.633   5.042   5.726
  415   HD11  ILE  55          3HD1      ILE  55  -4.643   2.162   5.437
  416   HD12  ILE  55          1HD1      ILE  55  -4.074   3.573   6.326
  417   HD13  ILE  55          2HD1      ILE  55  -3.809   1.955   6.978
  418    H    LYS  56           H        LYS  56   1.372   1.991   7.306
  419    HA   LYS  56           HA       LYS  56   2.615   4.344   8.160
  420    HB2  LYS  56           2HB      LYS  56   2.726   2.563   9.663
  421    HB3  LYS  56           1HB      LYS  56   3.259   1.430   8.433
  422    HG2  LYS  56           2HG      LYS  56   5.448   2.582   8.376
  423    HG3  LYS  56           1HG      LYS  56   4.899   3.616   9.697
  424    HD2  LYS  56           2HD      LYS  56   4.796   1.817  11.205
  425    HD3  LYS  56           1HD      LYS  56   4.863   0.620   9.910
  426    HE2  LYS  56           2HE      LYS  56   6.984   0.770  11.129
  427    HE3  LYS  56           1HE      LYS  56   7.164   1.221   9.436
  428    HZ1  LYS  56           3HZ      LYS  56   7.361   3.467   9.980
  429    HZ2  LYS  56           1HZ      LYS  56   8.303   2.672  11.141
  430    HZ3  LYS  56           2HZ      LYS  56   6.766   3.248  11.553
  431    H    CYS  57           H        CYS  57   3.826   1.815   5.974
  432    HA   CYS  57           HA       CYS  57   6.334   2.980   5.504
  433    HB2  CYS  57           2HB      CYS  57   5.770   0.623   4.992
  434    HB3  CYS  57           1HB      CYS  57   4.748   1.173   3.669
  435    HG   CYS  57           HG       CYS  57   7.507   2.587   3.001
  436    H    ALA  58           H        ALA  58   3.283   3.220   3.721
  437    HA   ALA  58           HA       ALA  58   4.250   4.869   1.648
  438    HB1  ALA  58           1HB      ALA  58   2.150   3.654   1.472
  439    HB2  ALA  58           2HB      ALA  58   1.892   5.381   1.226
  440    HB3  ALA  58           3HB      ALA  58   1.457   4.636   2.763
  441    H    HIS  59           H        HIS  59   2.830   5.572   4.796
  442    HA   HIS  59           HA       HIS  59   2.561   8.344   4.578
  443    HB2  HIS  59           2HB      HIS  59   1.726   6.794   6.428
  444    HB3  HIS  59           1HB      HIS  59   3.349   6.865   7.097
  445    HD1  HIS  59           1HD      HIS  59   1.271   7.816   8.931
  446    HD2  HIS  59           2HD      HIS  59   2.956  10.342   6.101
  447    HE1  HIS  59           1HE      HIS  59   0.867  10.144   9.783
  448    HE2  HIS  59           2HE      HIS  59   2.082  11.637   8.163
  449    H    GLU  60           H        GLU  60   5.273   6.415   5.836
  450    HA   GLU  60           HA       GLU  60   6.950   8.620   6.389
  451    HB2  GLU  60           2HB      GLU  60   7.665   5.734   5.865
  452    HB3  GLU  60           1HB      GLU  60   8.762   6.939   6.525
  453    HG2  GLU  60           2HG      GLU  60   7.204   7.213   8.440
  454    HG3  GLU  60           1HG      GLU  60   6.253   5.875   7.797
  455    H    ALA  61           H        ALA  61   6.753   6.422   3.611
  456    HA   ALA  61           HA       ALA  61   8.987   7.423   2.222
  457    HB1  ALA  61           1HB      ALA  61   7.950   5.262   1.716
  458    HB2  ALA  61           2HB      ALA  61   8.081   6.272   0.277
  459    HB3  ALA  61           3HB      ALA  61   6.526   6.093   1.090
  460    H    LEU  62           H        LEU  62   5.564   8.300   2.111
  461    HA   LEU  62           HA       LEU  62   5.791  10.063  -0.083
  462    HB2  LEU  62           2HB      LEU  62   3.700   9.000   0.742
  463    HB3  LEU  62           1HB      LEU  62   3.722  10.085   2.114
  464    HG   LEU  62           HG       LEU  62   2.109  10.717   0.337
  465   HD11  LEU  62          1HD1      LEU  62   2.982  12.423   1.852
  466   HD12  LEU  62          2HD1      LEU  62   2.630  13.074   0.253
  467   HD13  LEU  62          3HD1      LEU  62   4.297  12.744   0.723
  468   HD21  LEU  62          3HD2      LEU  62   2.944  11.679  -1.748
  469   HD22  LEU  62          1HD2      LEU  62   3.339   9.968  -1.593
  470   HD23  LEU  62          2HD2      LEU  62   4.579  11.189  -1.310
  471    H    GLU  63           H        GLU  63   5.815  10.658   3.453
  472    HA   GLU  63           HA       GLU  63   6.067  13.475   3.143
  473    HB2  GLU  63           2HB      GLU  63   6.759  11.687   5.476
  474    HB3  GLU  63           1HB      GLU  63   6.817  13.441   5.533
  475    HG2  GLU  63           2HG      GLU  63   4.395  13.458   4.929
  476    HG3  GLU  63           1HG      GLU  63   4.404  11.703   5.123
  477    H    LYS  64           H        LYS  64   8.388  10.871   3.205
  478    HA   LYS  64           HA       LYS  64  10.722  12.375   3.689
  479    HB2  LYS  64           2HB      LYS  64  10.645   9.922   3.818
  480    HB3  LYS  64           1HB      LYS  64  10.357   9.835   2.087
  481    HG2  LYS  64           2HG      LYS  64  12.567  10.848   1.693
  482    HG3  LYS  64           1HG      LYS  64  12.850  10.848   3.435
  483    HD2  LYS  64           2HD      LYS  64  12.635   8.419   3.481
  484    HD3  LYS  64           1HD      LYS  64  12.314   8.405   1.746
  485    HE2  LYS  64           2HE      LYS  64  14.539   9.368   1.348
  486    HE3  LYS  64           1HE      LYS  64  14.856   9.326   3.080
  487    HZ1  LYS  64           3HZ      LYS  64  14.580   6.909   3.010
  488    HZ2  LYS  64           1HZ      LYS  64  15.839   7.426   2.004
  489    HZ3  LYS  64           2HZ      LYS  64  14.353   6.981   1.336
  490    H    ASN  65           H        ASN  65   8.899  11.667   0.800
  491    HA   ASN  65           HA       ASN  65  10.247  13.813  -0.616
  492    HB2  ASN  65           2HB      ASN  65  10.346  12.231  -2.677
  493    HB3  ASN  65           1HB      ASN  65  11.614  12.121  -1.466
  494   HD21  ASN  65          1HD2      ASN  65   8.616  10.671  -2.556
  495   HD22  ASN  65          2HD2      ASN  65   8.954   9.073  -1.987
  496    HA   PRO  66           HA       PRO  66   5.653  13.483  -0.965
  497    HB2  PRO  66           2HB      PRO  66   5.040  16.012  -0.319
  498    HB3  PRO  66           1HB      PRO  66   5.505  14.831   0.903
  499    HG2  PRO  66           2HG      PRO  66   7.173  16.957  -0.393
  500    HG3  PRO  66           1HG      PRO  66   7.060  16.518   1.322
  501    HD2  PRO  66           2HD      PRO  66   9.064  15.653  -0.312
  502    HD3  PRO  66           1HD      PRO  66   8.480  14.730   1.085
  503    H    LYS  67           H        LYS  67   7.398  13.771  -3.193
  504    HA   LYS  67           HA       LYS  67   5.724  15.448  -4.924
  505    HB2  LYS  67           2HB      LYS  67   8.748  15.317  -4.980
  506    HB3  LYS  67           1HB      LYS  67   7.748  16.169  -6.151
  507    HG2  LYS  67           2HG      LYS  67   7.004  17.718  -4.487
  508    HG3  LYS  67           1HG      LYS  67   7.787  16.792  -3.206
  509    HD2  LYS  67           2HD      LYS  67   9.975  17.259  -4.289
  510    HD3  LYS  67           1HD      LYS  67   9.135  18.298  -5.444
  511    HE2  LYS  67           2HE      LYS  67   8.387  19.742  -3.664
  512    HE3  LYS  67           1HE      LYS  67   9.071  18.661  -2.454
  513    HZ1  LYS  67           3HZ      LYS  67  10.603  20.202  -4.475
  514    HZ2  LYS  67           1HZ      LYS  67  11.272  19.140  -3.342
  515    HZ3  LYS  67           2HZ      LYS  67  10.503  20.551  -2.825
  516    H    ILE  68           H        ILE  68   5.884  12.559  -4.305
  517    HA   ILE  68           HA       ILE  68   6.932  11.473  -6.817
  518    HB   ILE  68           HB       ILE  68   6.595   9.241  -5.735
  519   HG12  ILE  68          2HG1      ILE  68   6.234  10.862  -3.192
  520   HG13  ILE  68          1HG1      ILE  68   4.933  10.031  -4.037
  521   HG21  ILE  68          1HG2      ILE  68   8.601   9.466  -4.302
  522   HG22  ILE  68          2HG2      ILE  68   8.474  11.218  -4.475
  523   HG23  ILE  68          3HG2      ILE  68   8.766  10.210  -5.892
  524   HD11  ILE  68          3HD1      ILE  68   5.733   8.754  -2.135
  525   HD12  ILE  68          1HD1      ILE  68   7.355   8.722  -2.829
  526   HD13  ILE  68          2HD1      ILE  68   6.028   7.898  -3.649
  527    H    ARG  69           H        ARG  69   5.573   9.207  -7.110
  528    HA   ARG  69           HA       ARG  69   2.809  10.110  -7.611
  529    HB2  ARG  69           2HB      ARG  69   4.265  10.112  -9.650
  530    HB3  ARG  69           1HB      ARG  69   4.490   8.383  -9.436
  531    HG2  ARG  69           2HG      ARG  69   2.020   8.113  -9.645
  532    HG3  ARG  69           1HG      ARG  69   1.925   9.827 -10.056
  533    HD2  ARG  69           2HD      ARG  69   1.966   8.672 -12.113
  534    HD3  ARG  69           1HD      ARG  69   3.581   9.341 -11.903
  535    HE   ARG  69           HE       ARG  69   2.908   6.515 -11.336
  536   HH11  ARG  69          1HH1      ARG  69   5.089   8.949 -12.615
  537   HH12  ARG  69          2HH1      ARG  69   6.271   7.793 -13.131
  538   HH21  ARG  69          1HH2      ARG  69   4.457   5.001 -12.035
  539   HH22  ARG  69          2HH2      ARG  69   5.918   5.548 -12.799
  540    H    GLU  70           H        GLU  70   4.962   7.310  -7.274
  541    HA   GLU  70           HA       GLU  70   3.070   5.881  -5.680
  542    HB2  GLU  70           2HB      GLU  70   2.792   3.995  -7.275
  543    HB3  GLU  70           1HB      GLU  70   2.038   5.496  -7.820
  544    HG2  GLU  70           2HG      GLU  70   4.039   5.921  -9.226
  545    HG3  GLU  70           1HG      GLU  70   4.660   4.341  -8.758
  546    H    VAL  71           H        VAL  71   3.918   3.802  -4.945
  547    HA   VAL  71           HA       VAL  71   6.776   3.394  -5.488
  548    HB   VAL  71           HB       VAL  71   7.176   2.824  -3.124
  549   HG11  VAL  71          1HG1      VAL  71   7.719   5.060  -3.886
  550   HG12  VAL  71          2HG1      VAL  71   7.141   5.107  -2.222
  551   HG13  VAL  71          3HG1      VAL  71   6.077   5.600  -3.540
  552   HG21  VAL  71          3HG2      VAL  71   5.532   3.474  -1.410
  553   HG22  VAL  71          1HG2      VAL  71   4.934   2.187  -2.460
  554   HG23  VAL  71          2HG2      VAL  71   4.372   3.844  -2.685
  555    H    TYR  72           H        TYR  72   7.511   1.218  -5.054
  556    HA   TYR  72           HA       TYR  72   5.318  -0.733  -5.323
  557    HB2  TYR  72           2HB      TYR  72   8.137  -0.944  -6.410
  558    HB3  TYR  72           1HB      TYR  72   6.824  -2.089  -6.679
  559    HD1  TYR  72           2HD      TYR  72   4.723  -1.195  -7.863
  560    HD2  TYR  72           1HD      TYR  72   8.458   0.834  -7.895
  561    HE1  TYR  72           2HE      TYR  72   4.007   0.085  -9.834
  562    HE2  TYR  72           1HE      TYR  72   7.744   2.123  -9.865
  563    HH   TYR  72           HH       TYR  72   4.561   2.303 -10.890
  564    H    LEU  73           H        LEU  73   5.082  -2.003  -3.625
  565    HA   LEU  73           HA       LEU  73   7.310  -2.137  -1.721
  566    HB2  LEU  73           2HB      LEU  73   4.410  -1.778  -1.467
  567    HB3  LEU  73           1HB      LEU  73   5.122  -2.863  -0.290
  568    HG   LEU  73           HG       LEU  73   6.072  -0.041  -0.776
  569   HD11  LEU  73          1HD1      LEU  73   4.305  -1.140   1.410
  570   HD12  LEU  73          2HD1      LEU  73   3.798  -0.049   0.120
  571   HD13  LEU  73          3HD1      LEU  73   4.956   0.497   1.332
  572   HD21  LEU  73          3HD2      LEU  73   7.187  -0.444   1.428
  573   HD22  LEU  73          1HD2      LEU  73   7.815  -1.423   0.101
  574   HD23  LEU  73          2HD2      LEU  73   6.724  -2.141   1.283
  575    H    LYS  74           H        LYS  74   8.064  -3.964  -0.943
  576    HA   LYS  74           HA       LYS  74   6.804  -6.513  -1.680
  577    HB2  LYS  74           2HB      LYS  74   9.258  -6.172  -2.132
  578    HB3  LYS  74           1HB      LYS  74   9.506  -5.990  -0.404
  579    HG2  LYS  74           2HG      LYS  74   9.965  -8.178  -0.466
  580    HG3  LYS  74           1HG      LYS  74   8.213  -8.370  -0.493
  581    HD2  LYS  74           2HD      LYS  74   9.967  -8.216  -2.941
  582    HD3  LYS  74           1HD      LYS  74   9.361  -9.711  -2.225
  583    HE2  LYS  74           2HE      LYS  74   7.059  -8.932  -2.604
  584    HE3  LYS  74           1HE      LYS  74   7.692  -7.469  -3.360
  585    HZ1  LYS  74           3HZ      LYS  74   7.018  -9.238  -4.940
  586    HZ2  LYS  74           1HZ      LYS  74   8.264 -10.205  -4.341
  587    HZ3  LYS  74           2HZ      LYS  74   8.626  -8.748  -5.112
  588    HA   PRO  75           HA       PRO  75   5.126  -6.183   2.393
  589    HB2  PRO  75           2HB      PRO  75   3.671  -8.419   2.466
  590    HB3  PRO  75           1HB      PRO  75   3.256  -7.085   1.381
  591    HG2  PRO  75           2HG      PRO  75   4.746  -9.610   0.787
  592    HG3  PRO  75           1HG      PRO  75   3.426  -8.859  -0.130
  593    HD2  PRO  75           2HD      PRO  75   6.044  -8.560  -0.795
  594    HD3  PRO  75           1HD      PRO  75   4.820  -7.324  -1.121
  595    H    ARG  76           H        ARG  76   4.579  -8.068   4.207
  596    HA   ARG  76           HA       ARG  76   7.200  -8.512   5.275
  597    HB2  ARG  76           2HB      ARG  76   4.582  -9.498   6.402
  598    HB3  ARG  76           1HB      ARG  76   6.080  -9.200   7.274
  599    HG2  ARG  76           2HG      ARG  76   5.875  -6.816   6.860
  600    HG3  ARG  76           1HG      ARG  76   4.403  -7.092   5.929
  601    HD2  ARG  76           2HD      ARG  76   3.715  -6.399   8.080
  602    HD3  ARG  76           1HD      ARG  76   3.428  -8.137   8.004
  603    HE   ARG  76           HE       ARG  76   5.974  -7.712   9.079
  604   HH11  ARG  76          1HH1      ARG  76   2.596  -7.313   9.906
  605   HH12  ARG  76          2HH1      ARG  76   2.894  -7.325  11.620
  606   HH21  ARG  76          1HH2      ARG  76   6.363  -7.743  11.324
  607   HH22  ARG  76          2HH2      ARG  76   5.035  -7.571  12.427
  608    H    ALA  77           H        ALA  77   4.538 -10.639   4.263
  609    HA   ALA  77           HA       ALA  77   5.967 -13.054   4.753
  610    HB1  ALA  77           1HB      ALA  77   3.568 -12.578   2.988
  611    HB2  ALA  77           2HB      ALA  77   3.524 -12.971   4.709
  612    HB3  ALA  77           3HB      ALA  77   4.149 -14.145   3.551
  613    H    VAL  78           H        VAL  78   7.969 -12.383   3.680
  614    HA   VAL  78           HA       VAL  78   8.133 -12.145   0.864
  615    HB   VAL  78           HB       VAL  78  10.568 -12.568   1.176
  616   HG11  VAL  78          1HG1      VAL  78  10.992 -10.547   2.511
  617   HG12  VAL  78          2HG1      VAL  78   9.316 -10.571   3.059
  618   HG13  VAL  78          3HG1      VAL  78   9.683 -10.316   1.353
  619   HG21  VAL  78          3HG2      VAL  78  10.424 -14.147   3.036
  620   HG22  VAL  78          1HG2      VAL  78   9.816 -12.866   4.082
  621   HG23  VAL  78          2HG2      VAL  78  11.456 -12.777   3.443
  622    H    LYS  79           H        LYS  79   7.722 -14.837   2.921
  623    HA   LYS  79           HA       LYS  79   8.857 -16.862   1.289
  624    HB2  LYS  79           2HB      LYS  79   6.587 -17.041   3.283
  625    HB3  LYS  79           1HB      LYS  79   7.446 -18.412   2.598
  626    HG2  LYS  79           2HG      LYS  79   8.679 -16.270   4.316
  627    HG3  LYS  79           1HG      LYS  79   8.191 -17.873   4.869
  628    HD2  LYS  79           2HD      LYS  79   9.788 -18.883   3.298
  629    HD3  LYS  79           1HD      LYS  79  10.288 -17.271   2.782
  630    HE2  LYS  79           2HE      LYS  79  10.529 -18.376   5.578
  631    HE3  LYS  79           1HE      LYS  79  11.845 -18.236   4.415
  632    HZ1  LYS  79           3HZ      LYS  79  11.860 -16.406   5.980
  633    HZ2  LYS  79           1HZ      LYS  79  10.286 -15.977   5.545
  634    HZ3  LYS  79           2HZ      LYS  79  11.537 -15.838   4.421
  635    H    ASN  80           H        ASN  80   5.929 -15.054   1.189
  636    HA   ASN  80           HA       ASN  80   4.311 -16.779  -0.351
  637    HB2  ASN  80           2HB      ASN  80   3.576 -14.732   0.928
  638    HB3  ASN  80           1HB      ASN  80   4.265 -13.762  -0.369
  639   HD21  ASN  80          1HD2      ASN  80   2.316 -12.870  -0.907
  640   HD22  ASN  80          2HD2      ASN  80   1.078 -13.777  -1.709
  641    H    SER  81           H        SER  81   6.908 -14.635  -1.118
  642    HA   SER  81           HA       SER  81   8.249 -14.467  -2.918
  643    HB2  SER  81           2HB      SER  81   6.652 -16.760  -4.075
  644    HB3  SER  81           1HB      SER  81   8.238 -16.210  -4.617
  645    HG   SER  81           HG       SER  81   7.629 -17.236  -2.030
  646    H    SER  82           H        SER  82   5.340 -15.483  -4.698
  647    HA   SER  82           HA       SER  82   5.805 -13.312  -6.543
  648    HB2  SER  82           2HB      SER  82   3.637 -15.419  -6.610
  649    HB3  SER  82           1HB      SER  82   4.204 -14.430  -7.956
  650    HG   SER  82           HG       SER  82   6.099 -15.545  -7.989
  651    H    VAL  83           H        VAL  83   5.238 -11.901  -4.524
  652    HA   VAL  83           HA       VAL  83   2.487 -10.990  -4.941
  653    HB   VAL  83           HB       VAL  83   2.433 -12.348  -2.896
  654   HG11  VAL  83          1HG1      VAL  83   4.732 -12.155  -2.179
  655   HG12  VAL  83          2HG1      VAL  83   3.662 -11.614  -0.887
  656   HG13  VAL  83          3HG1      VAL  83   4.523 -10.431  -1.870
  657   HG21  VAL  83          3HG2      VAL  83   1.461 -10.671  -1.394
  658   HG22  VAL  83          1HG2      VAL  83   0.942 -10.435  -3.063
  659   HG23  VAL  83          2HG2      VAL  83   2.180  -9.389  -2.368
  660    H    GLN  84           H        GLN  84   2.329  -8.821  -5.098
  661    HA   GLN  84           HA       GLN  84   4.468  -7.166  -3.974
  662    HB2  GLN  84           2HB      GLN  84   3.480  -6.969  -6.823
  663    HB3  GLN  84           1HB      GLN  84   4.527  -5.794  -6.038
  664    HG2  GLN  84           2HG      GLN  84   6.222  -7.551  -5.728
  665    HG3  GLN  84           1HG      GLN  84   5.177  -8.674  -6.601
  666   HE21  GLN  84          1HE2      GLN  84   6.597  -9.015  -8.250
  667   HE22  GLN  84          2HE2      GLN  84   6.979  -7.806  -9.427
  668    H    PHE  85           H        PHE  85   3.765  -5.298  -3.114
  669    HA   PHE  85           HA       PHE  85   0.917  -4.666  -3.485
  670    HB2  PHE  85           2HB      PHE  85   2.835  -4.104  -1.223
  671    HB3  PHE  85           1HB      PHE  85   1.334  -3.197  -1.411
  672    HD1  PHE  85           2HD      PHE  85   2.531  -6.736  -1.326
  673    HD2  PHE  85           1HD      PHE  85  -0.539  -3.963  -0.344
  674    HE1  PHE  85           2HE      PHE  85   1.279  -8.527  -0.194
  675    HE2  PHE  85           1HE      PHE  85  -1.798  -5.747   0.784
  676    HZ   PHE  85           HZ       PHE  85  -0.889  -8.034   0.861
  677    H    HIS  86           H        HIS  86   0.453  -3.018  -4.689
  678    HA   HIS  86           HA       HIS  86   2.618  -1.221  -5.533
  679    HB2  HIS  86           2HB      HIS  86   1.489  -2.629  -7.245
  680    HB3  HIS  86           1HB      HIS  86  -0.038  -1.863  -6.845
  681    HD1  HIS  86           1HD      HIS  86   0.394  -1.565  -9.614
  682    HD2  HIS  86           2HD      HIS  86   2.381   0.963  -6.983
  683    HE1  HIS  86           1HE      HIS  86   1.072   0.425 -10.978
  684    HE2  HIS  86           2HE      HIS  86   2.386   1.889  -9.407
  685    H    VAL  87           H        VAL  87   2.589   0.522  -4.214
  686    HA   VAL  87           HA       VAL  87   0.031   1.636  -3.357
  687    HB   VAL  87           HB       VAL  87   2.860   2.345  -2.568
  688   HG11  VAL  87          1HG1      VAL  87   1.841   3.786  -0.862
  689   HG12  VAL  87          2HG1      VAL  87   0.249   3.459  -1.551
  690   HG13  VAL  87          3HG1      VAL  87   1.460   4.327  -2.498
  691   HG21  VAL  87          3HG2      VAL  87   2.213   1.433  -0.385
  692   HG22  VAL  87          1HG2      VAL  87   2.121   0.219  -1.662
  693   HG23  VAL  87          2HG2      VAL  87   0.647   0.972  -1.051
  694    H    ILE  88           H        ILE  88  -0.896   3.031  -4.661
  695    HA   ILE  88           HA       ILE  88   0.796   4.845  -6.241
  696    HB   ILE  88           HB       ILE  88  -2.082   4.016  -6.652
  697   HG12  ILE  88          2HG1      ILE  88   0.381   3.494  -8.328
  698   HG13  ILE  88          1HG1      ILE  88  -0.341   2.328  -7.222
  699   HG21  ILE  88          1HG2      ILE  88  -1.759   6.335  -7.309
  700   HG22  ILE  88          2HG2      ILE  88  -1.977   5.311  -8.728
  701   HG23  ILE  88          3HG2      ILE  88  -0.367   5.878  -8.289
  702   HD11  ILE  88          3HD1      ILE  88  -1.672   3.510  -9.644
  703   HD12  ILE  88          1HD1      ILE  88  -2.385   2.334  -8.541
  704   HD13  ILE  88          2HD1      ILE  88  -0.986   1.889  -9.518
  705    H    PHE  89           H        PHE  89   0.628   7.004  -5.978
  706    HA   PHE  89           HA       PHE  89  -1.036   7.886  -3.739
  707    HB2  PHE  89           2HB      PHE  89   1.467   9.012  -4.980
  708    HB3  PHE  89           1HB      PHE  89   0.505   9.887  -3.789
  709    HD1  PHE  89           2HD      PHE  89   0.079   8.817  -1.569
  710    HD2  PHE  89           1HD      PHE  89   2.988   7.364  -4.308
  711    HE1  PHE  89           2HE      PHE  89   1.144   7.546   0.242
  712    HE2  PHE  89           1HE      PHE  89   4.049   6.076  -2.499
  713    HZ   PHE  89           HZ       PHE  89   3.111   6.180  -0.236
  714    H    ASP  90           H        ASP  90  -2.919   8.646  -4.411
  715    HA   ASP  90           HA       ASP  90  -3.277   9.760  -7.050
  716    HB2  ASP  90           2HB      ASP  90  -4.984   8.332  -5.829
  717    HB3  ASP  90           1HB      ASP  90  -5.282   9.715  -4.793
  718    H    GLU  91           H        GLU  91  -3.730  11.928  -7.531
  719    HA   GLU  91           HA       GLU  91  -2.613  13.744  -5.585
  720    HB2  GLU  91           2HB      GLU  91  -1.995  14.032  -7.905
  721    HB3  GLU  91           1HB      GLU  91  -3.680  14.141  -8.387
  722    HG2  GLU  91           2HG      GLU  91  -2.613  16.316  -8.411
  723    HG3  GLU  91           1HG      GLU  91  -3.898  16.252  -7.209
  724    H    GLU  92           H        GLU  92  -3.861  14.114  -3.979
  725    HA   GLU  92           HA       GLU  92  -5.536  16.148  -3.717
  726    HB2  GLU  92           2HB      GLU  92  -7.091  13.884  -4.780
  727    HB3  GLU  92           1HB      GLU  92  -7.743  14.559  -3.293
  728    HG2  GLU  92           2HG      GLU  92  -7.197  16.042  -5.854
  729    HG3  GLU  92           1HG      GLU  92  -8.775  15.614  -5.196
  Start of MODEL   19
    1    H1   GLY   1           1HT      GLY   1 -11.010 -26.675  -4.359
    2    H2   GLY   1           2HT      GLY   1 -12.107 -25.639  -3.600
    3    H3   GLY   1           3HT      GLY   1 -10.865 -26.355  -2.706
    4    HA2  GLY   1           1HA      GLY   1 -10.341 -24.054  -3.148
    5    HA3  GLY   1           2HA      GLY   1  -9.209 -25.132  -3.954
    6    H    SER   2           H        SER   2 -12.067 -23.123  -4.420
    7    HA   SER   2           HA       SER   2 -11.818 -23.323  -7.313
    8    HB2  SER   2           2HB      SER   2 -13.801 -21.777  -5.627
    9    HB3  SER   2           1HB      SER   2 -13.900 -22.038  -7.370
   10    HG   SER   2           HG       SER   2 -13.726 -24.234  -5.609
   11    H    ALA   3           H        ALA   3 -11.314 -21.005  -4.722
   12    HA   ALA   3           HA       ALA   3 -10.460 -19.006  -6.701
   13    HB1  ALA   3           1HB      ALA   3 -10.737 -17.346  -4.947
   14    HB2  ALA   3           2HB      ALA   3 -11.134 -18.612  -3.786
   15    HB3  ALA   3           3HB      ALA   3 -12.217 -18.286  -5.140
   16    H    MET   4           H        MET   4  -8.458 -20.220  -6.989
   17    HA   MET   4           HA       MET   4  -6.597 -20.062  -4.727
   18    HB2  MET   4           2HB      MET   4  -5.250 -21.662  -5.823
   19    HB3  MET   4           1HB      MET   4  -6.898 -22.209  -6.087
   20    HG2  MET   4           2HG      MET   4  -5.233 -20.676  -8.074
   21    HG3  MET   4           1HG      MET   4  -5.490 -22.419  -8.087
   22    HE1  MET   4           3HE      MET   4  -9.254 -22.749  -8.943
   23    HE2  MET   4           1HE      MET   4  -8.490 -22.794  -7.356
   24    HE3  MET   4           2HE      MET   4  -7.721 -23.592  -8.727
   25    H    GLY   5           H        GLY   5  -4.293 -19.483  -5.376
   26    HA2  GLY   5           2HA      GLY   5  -4.322 -16.926  -6.698
   27    HA3  GLY   5           1HA      GLY   5  -2.929 -17.711  -5.966
   28    H    HIS   6           H        HIS   6  -5.055 -17.802  -8.785
   29    HA   HIS   6           HA       HIS   6  -3.396 -19.494 -10.340
   30    HB2  HIS   6           2HB      HIS   6  -5.777 -19.214 -10.836
   31    HB3  HIS   6           1HB      HIS   6  -5.515 -17.514 -11.204
   32    HD1  HIS   6           1HD      HIS   6  -5.164 -16.989 -13.596
   33    HD2  HIS   6           2HD      HIS   6  -4.292 -20.964 -12.737
   34    HE1  HIS   6           1HE      HIS   6  -4.635 -18.060 -15.808
   35    HE2  HIS   6           2HE      HIS   6  -4.192 -20.484 -15.278
   36    H    MET   7           H        MET   7  -3.537 -16.055  -9.809
   37    HA   MET   7           HA       MET   7  -1.773 -15.265 -11.881
   38    HB2  MET   7           2HB      MET   7  -2.414 -13.994  -9.213
   39    HB3  MET   7           1HB      MET   7  -1.432 -13.226 -10.449
   40    HG2  MET   7           2HG      MET   7  -3.326 -13.255 -11.980
   41    HG3  MET   7           1HG      MET   7  -4.311 -14.046 -10.756
   42    HE1  MET   7           3HE      MET   7  -4.671 -11.272  -8.039
   43    HE2  MET   7           1HE      MET   7  -3.515 -12.602  -8.090
   44    HE3  MET   7           2HE      MET   7  -5.193 -12.872  -8.563
   45    HA   PRO   8           HA       PRO   8   1.954 -17.106 -10.190
   46    HB2  PRO   8           2HB      PRO   8   3.664 -15.730 -11.865
   47    HB3  PRO   8           1HB      PRO   8   2.849 -17.240 -12.288
   48    HG2  PRO   8           2HG      PRO   8   2.114 -14.429 -12.979
   49    HG3  PRO   8           1HG      PRO   8   2.031 -15.890 -13.979
   50    HD2  PRO   8           2HD      PRO   8  -0.160 -14.842 -12.843
   51    HD3  PRO   8           1HD      PRO   8   0.049 -16.595 -13.010
   52    H    ALA   9           H        ALA   9   1.654 -13.666 -10.902
   53    HA   ALA   9           HA       ALA   9   2.895 -13.107  -8.299
   54    HB1  ALA   9           1HB      ALA   9   4.387 -12.365 -10.096
   55    HB2  ALA   9           2HB      ALA   9   3.735 -10.992  -9.200
   56    HB3  ALA   9           3HB      ALA   9   3.081 -11.403 -10.785
   57    H    VAL  10           H        VAL  10   1.509 -12.190  -6.928
   58    HA   VAL  10           HA       VAL  10  -1.064 -11.312  -7.986
   59    HB   VAL  10           HB       VAL  10  -0.180 -11.666  -5.114
   60   HG11  VAL  10          1HG1      VAL  10  -2.928 -11.254  -6.289
   61   HG12  VAL  10          2HG1      VAL  10  -2.023 -10.095  -5.315
   62   HG13  VAL  10          3HG1      VAL  10  -2.580 -11.605  -4.595
   63   HG21  VAL  10          3HG2      VAL  10  -0.154 -13.784  -6.304
   64   HG22  VAL  10          1HG2      VAL  10  -1.791 -13.493  -6.895
   65   HG23  VAL  10          2HG2      VAL  10  -1.504 -13.735  -5.171
   66    H    ASP  11           H        ASP  11  -1.402  -9.250  -8.404
   67    HA   ASP  11           HA       ASP  11   0.257  -7.242  -7.041
   68    HB2  ASP  11           2HB      ASP  11  -1.223  -7.052  -9.675
   69    HB3  ASP  11           1HB      ASP  11  -0.284  -5.756  -8.948
   70    H    VAL  12           H        VAL  12  -0.734  -6.126  -5.515
   71    HA   VAL  12           HA       VAL  12  -3.654  -5.771  -5.701
   72    HB   VAL  12           HB       VAL  12  -1.908  -5.519  -3.244
   73   HG11  VAL  12          1HG1      VAL  12  -3.930  -4.169  -3.126
   74   HG12  VAL  12          2HG1      VAL  12  -4.031  -5.537  -2.018
   75   HG13  VAL  12          3HG1      VAL  12  -4.910  -5.574  -3.547
   76   HG21  VAL  12          3HG2      VAL  12  -1.950  -7.825  -4.024
   77   HG22  VAL  12          1HG2      VAL  12  -3.713  -7.786  -4.086
   78   HG23  VAL  12          2HG2      VAL  12  -2.882  -7.654  -2.536
   79    H    GLU  13           H        GLU  13  -4.507  -3.729  -5.680
   80    HA   GLU  13           HA       GLU  13  -2.549  -1.576  -6.058
   81    HB2  GLU  13           2HB      GLU  13  -5.438  -1.677  -6.944
   82    HB3  GLU  13           1HB      GLU  13  -4.257  -0.445  -7.364
   83    HG2  GLU  13           2HG      GLU  13  -4.149  -3.340  -8.176
   84    HG3  GLU  13           1HG      GLU  13  -4.637  -1.993  -9.201
   85    H    ILE  14           H        ILE  14  -2.294  -0.381  -4.295
   86    HA   ILE  14           HA       ILE  14  -4.673   0.248  -2.673
   87    HB   ILE  14           HB       ILE  14  -1.790   0.695  -1.854
   88   HG12  ILE  14          2HG1      ILE  14  -3.597  -1.639  -1.149
   89   HG13  ILE  14          1HG1      ILE  14  -2.169  -1.724  -2.176
   90   HG21  ILE  14          1HG2      ILE  14  -2.758   0.870   0.393
   91   HG22  ILE  14          2HG2      ILE  14  -4.369   0.632  -0.289
   92   HG23  ILE  14          3HG2      ILE  14  -3.435   2.068  -0.711
   93   HD11  ILE  14          3HD1      ILE  14  -1.683  -2.563   0.044
   94   HD12  ILE  14          1HD1      ILE  14  -2.213  -1.042   0.760
   95   HD13  ILE  14          2HD1      ILE  14  -0.771  -1.084  -0.261
   96    H    HIS  15           H        HIS  15  -5.409   2.310  -2.724
   97    HA   HIS  15           HA       HIS  15  -3.644   4.311  -3.964
   98    HB2  HIS  15           2HB      HIS  15  -6.656   4.119  -4.012
   99    HB3  HIS  15           1HB      HIS  15  -5.761   5.525  -4.570
  100    HD1  HIS  15           1HD      HIS  15  -6.889   2.183  -5.584
  101    HD2  HIS  15           2HD      HIS  15  -4.180   5.037  -6.930
  102    HE1  HIS  15           1HE      HIS  15  -6.340   1.528  -7.946
  103    HE2  HIS  15           2HE      HIS  15  -4.877   3.392  -8.804
  104    H    PHE  16           H        PHE  16  -3.018   5.932  -2.774
  105    HA   PHE  16           HA       PHE  16  -4.690   6.766  -0.499
  106    HB2  PHE  16           2HB      PHE  16  -1.669   6.767  -0.663
  107    HB3  PHE  16           1HB      PHE  16  -2.604   7.514   0.619
  108    HD1  PHE  16           2HD      PHE  16  -4.628   5.494   1.203
  109    HD2  PHE  16           1HD      PHE  16  -0.495   5.070   0.306
  110    HE1  PHE  16           2HE      PHE  16  -4.569   3.395   2.480
  111    HE2  PHE  16           1HE      PHE  16  -0.427   2.971   1.582
  112    HZ   PHE  16           HZ       PHE  16  -2.462   2.137   2.669
  113    HA   PRO  17           HA       PRO  17  -4.631  10.575  -2.904
  114    HB2  PRO  17           2HB      PRO  17  -5.761  11.684  -0.418
  115    HB3  PRO  17           1HB      PRO  17  -6.405  11.736  -2.059
  116    HG2  PRO  17           2HG      PRO  17  -7.494  10.172  -0.176
  117    HG3  PRO  17           1HG      PRO  17  -7.411   9.668  -1.872
  118    HD2  PRO  17           2HD      PRO  17  -5.723   8.822   0.445
  119    HD3  PRO  17           1HD      PRO  17  -6.327   7.863  -0.925
  120    H    LEU  18           H        LEU  18  -3.043  11.930  -3.061
  121    HA   LEU  18           HA       LEU  18  -0.731  11.849  -1.581
  122    HB2  LEU  18           2HB      LEU  18  -1.196  12.773  -3.917
  123    HB3  LEU  18           1HB      LEU  18  -1.678  14.257  -3.131
  124    HG   LEU  18           HG       LEU  18   0.635  14.256  -4.089
  125   HD11  LEU  18          1HD1      LEU  18   0.014  15.857  -2.372
  126   HD12  LEU  18          2HD1      LEU  18   1.695  15.355  -2.196
  127   HD13  LEU  18          3HD1      LEU  18   0.462  14.701  -1.118
  128   HD21  LEU  18          3HD2      LEU  18   1.236  11.965  -3.551
  129   HD22  LEU  18          1HD2      LEU  18   1.200  12.351  -1.831
  130   HD23  LEU  18          2HD2      LEU  18   2.400  13.107  -2.879
  131    H    LYS  19           H        LYS  19  -3.480  14.002  -1.227
  132    HA   LYS  19           HA       LYS  19  -2.206  15.749   0.632
  133    HB2  LYS  19           2HB      LYS  19  -5.094  15.377  -0.149
  134    HB3  LYS  19           1HB      LYS  19  -4.536  16.623   0.956
  135    HG2  LYS  19           2HG      LYS  19  -3.177  17.606  -0.796
  136    HG3  LYS  19           1HG      LYS  19  -3.656  16.322  -1.909
  137    HD2  LYS  19           2HD      LYS  19  -5.953  17.051  -1.832
  138    HD3  LYS  19           1HD      LYS  19  -5.573  18.246  -0.596
  139    HE2  LYS  19           2HE      LYS  19  -5.753  19.360  -2.669
  140    HE3  LYS  19           1HE      LYS  19  -4.056  19.353  -2.205
  141    HZ1  LYS  19           3HZ      LYS  19  -3.795  17.385  -3.708
  142    HZ2  LYS  19           1HZ      LYS  19  -4.192  18.834  -4.498
  143    HZ3  LYS  19           2HZ      LYS  19  -5.384  17.663  -4.245
  144    H    ARG  20           H        ARG  20  -4.058  12.801   0.946
  145    HA   ARG  20           HA       ARG  20  -4.644  13.356   3.748
  146    HB2  ARG  20           2HB      ARG  20  -5.290  10.829   2.239
  147    HB3  ARG  20           1HB      ARG  20  -5.999  11.397   3.741
  148    HG2  ARG  20           2HG      ARG  20  -6.374  12.583   1.017
  149    HG3  ARG  20           1HG      ARG  20  -7.554  11.697   1.980
  150    HD2  ARG  20           2HD      ARG  20  -6.332  14.367   2.647
  151    HD3  ARG  20           1HD      ARG  20  -7.967  14.071   2.072
  152    HE   ARG  20           HE       ARG  20  -8.120  12.669   4.233
  153   HH11  ARG  20          1HH1      ARG  20  -6.430  15.706   3.817
  154   HH12  ARG  20          2HH1      ARG  20  -6.588  16.178   5.479
  155   HH21  ARG  20          1HH2      ARG  20  -8.353  13.303   6.440
  156   HH22  ARG  20          2HH2      ARG  20  -7.685  14.815   6.967
  157    H    ILE  21           H        ILE  21  -2.645  11.183   1.805
  158    HA   ILE  21           HA       ILE  21  -1.825   9.613   4.051
  159    HB   ILE  21           HB       ILE  21  -1.769   8.801   1.701
  160   HG12  ILE  21          2HG1      ILE  21   0.297   7.511   1.930
  161   HG13  ILE  21          1HG1      ILE  21   0.905   8.666   3.113
  162   HG21  ILE  21          1HG2      ILE  21   0.190   9.375   0.298
  163   HG22  ILE  21          2HG2      ILE  21   0.620  10.621   1.469
  164   HG23  ILE  21          3HG2      ILE  21  -0.893  10.740   0.574
  165   HD11  ILE  21          3HD1      ILE  21  -1.505   6.897   3.459
  166   HD12  ILE  21          1HD1      ILE  21  -0.863   8.021   4.655
  167   HD13  ILE  21          2HD1      ILE  21   0.090   6.623   4.160
  168    H    ALA  22           H        ALA  22  -0.977  12.659   2.793
  169    HA   ALA  22           HA       ALA  22   1.499  12.773   4.353
  170    HB1  ALA  22           1HB      ALA  22   1.595  13.576   2.025
  171    HB2  ALA  22           2HB      ALA  22   1.961  14.849   3.189
  172    HB3  ALA  22           3HB      ALA  22   0.378  14.790   2.414
  173    H    ALA  23           H        ALA  23  -1.392  12.807   5.295
  174    HA   ALA  23           HA       ALA  23  -1.359  15.397   6.692
  175    HB1  ALA  23           1HB      ALA  23  -3.763  15.097   7.019
  176    HB2  ALA  23           2HB      ALA  23  -3.689  13.550   6.176
  177    HB3  ALA  23           3HB      ALA  23  -3.341  15.046   5.308
  178    H    GLU  24           H        GLU  24  -2.451  15.258   8.896
  179    HA   GLU  24           HA       GLU  24  -1.060  13.222  10.421
  180    HB2  GLU  24           2HB      GLU  24  -1.099  15.672  11.027
  181    HB3  GLU  24           1HB      GLU  24  -2.800  15.486  11.415
  182    HG2  GLU  24           2HG      GLU  24  -0.672  13.848  12.750
  183    HG3  GLU  24           1HG      GLU  24  -1.139  15.442  13.334
  184    H    GLY  25           H        GLY  25  -4.335  14.176   9.627
  185    HA2  GLY  25           2HA      GLY  25  -5.446  12.111  11.384
  186    HA3  GLY  25           1HA      GLY  25  -6.354  13.392  10.593
  187    H    TYR  26           H        TYR  26  -4.059  11.080   9.227
  188    HA   TYR  26           HA       TYR  26  -5.770  10.620   6.988
  189    HB2  TYR  26           2HB      TYR  26  -4.014   9.073   6.229
  190    HB3  TYR  26           1HB      TYR  26  -3.356  10.632   6.714
  191    HD1  TYR  26           1HD      TYR  26  -2.286  10.818   9.027
  192    HD2  TYR  26           2HD      TYR  26  -3.201   7.087   7.207
  193    HE1  TYR  26           1HE      TYR  26  -0.702   9.699  10.536
  194    HE2  TYR  26           2HE      TYR  26  -1.621   5.959   8.712
  195    HH   TYR  26           HH       TYR  26  -0.308   7.424  11.455
  196    H    ALA  27           H        ALA  27  -5.222   9.011  10.017
  197    HA   ALA  27           HA       ALA  27  -6.311   6.482   9.213
  198    HB1  ALA  27           1HB      ALA  27  -4.728   6.694  11.087
  199    HB2  ALA  27           2HB      ALA  27  -6.227   5.897  11.562
  200    HB3  ALA  27           3HB      ALA  27  -5.951   7.582  11.997
  201    H    GLU  28           H        GLU  28  -7.684   9.438   9.645
  202    HA   GLU  28           HA       GLU  28 -10.305   8.291  10.352
  203    HB2  GLU  28           2HB      GLU  28  -9.362  10.057  11.886
  204    HB3  GLU  28           1HB      GLU  28  -9.430  11.185  10.543
  205    HG2  GLU  28           2HG      GLU  28 -11.319  11.496  12.009
  206    HG3  GLU  28           1HG      GLU  28 -11.858  10.905  10.437
  207    H    ASP  29           H        ASP  29  -8.535   8.927   7.782
  208    HA   ASP  29           HA       ASP  29 -10.353  10.648   6.313
  209    HB2  ASP  29           2HB      ASP  29  -8.043  11.079   5.921
  210    HB3  ASP  29           1HB      ASP  29  -7.707   9.378   5.590
  211    H    GLU  30           H        GLU  30 -11.959   9.962   5.169
  212    HA   GLU  30           HA       GLU  30 -12.833   7.327   5.118
  213    HB2  GLU  30           2HB      GLU  30 -14.127   9.530   4.779
  214    HB3  GLU  30           1HB      GLU  30 -13.647   9.410   3.096
  215    HG2  GLU  30           2HG      GLU  30 -15.134   7.210   4.490
  216    HG3  GLU  30           1HG      GLU  30 -15.955   8.568   3.730
  217    H    LEU  31           H        LEU  31 -10.954   9.149   2.782
  218    HA   LEU  31           HA       LEU  31 -11.176   7.404   0.596
  219    HB2  LEU  31           2HB      LEU  31  -9.429   9.623   1.458
  220    HB3  LEU  31           1HB      LEU  31  -8.749   8.538   0.266
  221    HG   LEU  31           HG       LEU  31  -9.790  10.528  -0.749
  222   HD11  LEU  31          1HD1      LEU  31  -9.698   8.444  -2.000
  223   HD12  LEU  31          2HD1      LEU  31 -11.137   9.376  -2.404
  224   HD13  LEU  31          3HD1      LEU  31 -11.266   7.975  -1.342
  225   HD21  LEU  31          3HD2      LEU  31 -12.201  10.834  -0.689
  226   HD22  LEU  31          1HD2      LEU  31 -11.532  10.895   0.940
  227   HD23  LEU  31          2HD2      LEU  31 -12.367   9.446   0.384
  228    H    LEU  32           H        LEU  32  -8.829   7.731   3.187
  229    HA   LEU  32           HA       LEU  32  -7.062   5.732   2.258
  230    HB2  LEU  32           2HB      LEU  32  -6.964   7.759   4.008
  231    HB3  LEU  32           1HB      LEU  32  -7.246   6.441   5.128
  232    HG   LEU  32           HG       LEU  32  -5.225   5.434   3.636
  233   HD11  LEU  32          1HD1      LEU  32  -3.556   7.194   3.350
  234   HD12  LEU  32          2HD1      LEU  32  -4.741   8.398   3.854
  235   HD13  LEU  32          3HD1      LEU  32  -4.985   7.492   2.361
  236   HD21  LEU  32          3HD2      LEU  32  -5.339   5.421   6.058
  237   HD22  LEU  32          1HD2      LEU  32  -4.995   7.150   6.098
  238   HD23  LEU  32          2HD2      LEU  32  -3.770   6.020   5.520
  239    H    LEU  33           H        LEU  33  -9.795   5.870   4.403
  240    HA   LEU  33           HA       LEU  33  -9.499   3.328   5.587
  241    HB2  LEU  33           2HB      LEU  33 -11.439   5.490   5.560
  242    HB3  LEU  33           1HB      LEU  33 -12.136   3.909   5.820
  243    HG   LEU  33           HG       LEU  33 -11.608   5.101   7.919
  244   HD11  LEU  33          1HD1      LEU  33  -9.983   2.615   7.444
  245   HD12  LEU  33          2HD1      LEU  33 -11.682   2.679   7.917
  246   HD13  LEU  33          3HD1      LEU  33 -10.436   3.261   9.020
  247   HD21  LEU  33          3HD2      LEU  33  -8.741   4.801   7.043
  248   HD22  LEU  33          1HD2      LEU  33  -9.295   5.404   8.604
  249   HD23  LEU  33          2HD2      LEU  33  -9.632   6.320   7.136
  250    H    ASN  34           H        ASN  34 -11.573   4.482   2.901
  251    HA   ASN  34           HA       ASN  34 -12.761   1.889   2.616
  252    HB2  ASN  34           2HB      ASN  34 -14.057   2.743   0.863
  253    HB3  ASN  34           1HB      ASN  34 -13.831   4.122   1.929
  254   HD21  ASN  34          1HD2      ASN  34 -12.725   5.888   1.203
  255   HD22  ASN  34          2HD2      ASN  34 -12.184   6.060  -0.435
  256    H    GLN  35           H        GLN  35 -10.082   3.571   1.093
  257    HA   GLN  35           HA       GLN  35  -9.840   1.719  -1.069
  258    HB2  GLN  35           2HB      GLN  35  -8.377   4.052  -0.063
  259    HB3  GLN  35           1HB      GLN  35  -7.352   2.847  -0.826
  260    HG2  GLN  35           2HG      GLN  35  -8.008   3.451  -2.847
  261    HG3  GLN  35           1HG      GLN  35  -9.699   3.309  -2.410
  262   HE21  GLN  35          1HE2      GLN  35  -7.496   5.569  -0.846
  263   HE22  GLN  35          2HE2      GLN  35  -8.203   6.988  -1.516
  264    H    MET  36           H        MET  36  -8.148   2.115   2.030
  265    HA   MET  36           HA       MET  36  -6.716  -0.371   1.515
  266    HB2  MET  36           2HB      MET  36  -5.549   1.664   2.449
  267    HB3  MET  36           1HB      MET  36  -6.441   1.396   3.942
  268    HG2  MET  36           2HG      MET  36  -4.148   0.451   3.953
  269    HG3  MET  36           1HG      MET  36  -5.416  -0.741   4.252
  270    HE1  MET  36           3HE      MET  36  -2.962  -2.228   3.653
  271    HE2  MET  36           1HE      MET  36  -3.377  -3.221   2.258
  272    HE3  MET  36           2HE      MET  36  -4.555  -2.974   3.546
  273    H    GLY  37           H        GLY  37  -9.649   0.448   2.720
  274    HA2  GLY  37           2HA      GLY  37  -9.751  -1.830   4.546
  275    HA3  GLY  37           1HA      GLY  37 -11.081  -0.741   4.158
  276    H    LYS  38           H        LYS  38 -10.486  -0.922   1.294
  277    HA   LYS  38           HA       LYS  38 -12.088  -3.192   0.658
  278    HB2  LYS  38           2HB      LYS  38 -12.111  -1.016  -0.589
  279    HB3  LYS  38           1HB      LYS  38 -10.511  -1.419  -1.200
  280    HG2  LYS  38           2HG      LYS  38 -12.234  -1.918  -2.846
  281    HG3  LYS  38           1HG      LYS  38 -11.425  -3.393  -2.312
  282    HD2  LYS  38           2HD      LYS  38 -13.277  -3.898  -0.821
  283    HD3  LYS  38           1HD      LYS  38 -14.074  -2.390  -1.268
  284    HE2  LYS  38           2HE      LYS  38 -14.239  -3.183  -3.585
  285    HE3  LYS  38           1HE      LYS  38 -13.463  -4.696  -3.114
  286    HZ1  LYS  38           3HZ      LYS  38 -16.060  -3.686  -2.089
  287    HZ2  LYS  38           1HZ      LYS  38 -15.316  -5.129  -1.621
  288    HZ3  LYS  38           2HZ      LYS  38 -15.858  -4.936  -3.208
  289    H    VAL  39           H        VAL  39  -8.747  -2.264  -0.267
  290    HA   VAL  39           HA       VAL  39  -8.244  -5.022  -1.074
  291    HB   VAL  39           HB       VAL  39  -5.986  -4.184  -1.736
  292   HG11  VAL  39          1HG1      VAL  39  -7.778  -4.265  -3.361
  293   HG12  VAL  39          2HG1      VAL  39  -6.790  -2.831  -3.633
  294   HG13  VAL  39          3HG1      VAL  39  -8.358  -2.684  -2.839
  295   HG21  VAL  39          3HG2      VAL  39  -5.604  -1.760  -1.807
  296   HG22  VAL  39          1HG2      VAL  39  -5.761  -2.346  -0.152
  297   HG23  VAL  39          2HG2      VAL  39  -7.105  -1.500  -0.919
  298    H    ASN  40           H        ASN  40  -8.778  -5.319   1.410
  299    HA   ASN  40           HA       ASN  40  -6.240  -5.276   2.898
  300    HB2  ASN  40           2HB      ASN  40  -7.718  -3.311   3.441
  301    HB3  ASN  40           1HB      ASN  40  -8.894  -4.464   4.066
  302   HD21  ASN  40          1HD2      ASN  40  -5.415  -4.756   4.340
  303   HD22  ASN  40          2HD2      ASN  40  -5.354  -4.626   6.061
  304    H    ASP  41           H        ASP  41  -9.408  -6.700   2.466
  305    HA   ASP  41           HA       ASP  41  -9.301  -8.268   4.848
  306    HB2  ASP  41           2HB      ASP  41 -11.440  -7.557   3.928
  307    HB3  ASP  41           1HB      ASP  41 -11.126  -8.441   2.439
  308    H    THR  42           H        THR  42  -8.583  -8.835   1.468
  309    HA   THR  42           HA       THR  42  -7.417 -11.423   2.224
  310    HB   THR  42           HB       THR  42  -7.972 -12.030  -0.265
  311    HG1  THR  42           1HG      THR  42 -10.346 -10.721  -0.049
  312   HG21  THR  42          3HG2      THR  42 -10.104 -13.018   0.451
  313   HG22  THR  42          1HG2      THR  42 -10.088 -11.997   1.889
  314   HG23  THR  42          2HG2      THR  42  -8.848 -13.232   1.670
  315    HA   PRO  43           HA       PRO  43  -4.327  -8.838  -0.024
  316    HB2  PRO  43           2HB      PRO  43  -2.659  -8.255   2.004
  317    HB3  PRO  43           1HB      PRO  43  -4.142  -7.340   1.716
  318    HG2  PRO  43           2HG      PRO  43  -3.514  -9.268   3.853
  319    HG3  PRO  43           1HG      PRO  43  -4.725  -7.979   3.817
  320    HD2  PRO  43           2HD      PRO  43  -5.102 -10.792   3.344
  321    HD3  PRO  43           1HD      PRO  43  -6.322  -9.504   3.347
  322    H    GLU  44           H        GLU  44  -4.418 -11.805   1.316
  323    HA   GLU  44           HA       GLU  44  -3.218 -13.705   1.072
  324    HB2  GLU  44           2HB      GLU  44  -2.614 -12.838  -1.172
  325    HB3  GLU  44           1HB      GLU  44  -1.206 -12.056  -0.466
  326    HG2  GLU  44           2HG      GLU  44  -0.535 -14.102  -1.517
  327    HG3  GLU  44           1HG      GLU  44  -0.365 -14.267   0.229
  328    H    GLU  45           H        GLU  45  -1.225 -10.898   1.856
  329    HA   GLU  45           HA       GLU  45   0.704 -12.304   3.368
  330    HB2  GLU  45           2HB      GLU  45   1.157 -10.100   2.467
  331    HB3  GLU  45           1HB      GLU  45  -0.139  -9.402   3.422
  332    HG2  GLU  45           2HG      GLU  45   2.019  -8.885   4.375
  333    HG3  GLU  45           1HG      GLU  45   1.087  -9.909   5.464
  334    H    GLU  46           H        GLU  46  -1.448  -9.875   4.828
  335    HA   GLU  46           HA       GLU  46  -2.266 -11.829   6.838
  336    HB2  GLU  46           2HB      GLU  46  -0.917  -9.198   7.451
  337    HB3  GLU  46           1HB      GLU  46  -1.831 -10.113   8.642
  338    HG2  GLU  46           2HG      GLU  46  -0.304 -11.977   8.430
  339    HG3  GLU  46           1HG      GLU  46   0.577 -11.137   7.155
  340    H    GLY  47           H        GLY  47  -2.642  -8.348   7.136
  341    HA2  GLY  47           2HA      GLY  47  -4.919  -7.805   5.763
  342    HA3  GLY  47           1HA      GLY  47  -5.506  -8.634   7.192
  343    H    MET  48           H        MET  48  -5.368  -7.608   9.208
  344    HA   MET  48           HA       MET  48  -5.601  -4.827   9.123
  345    HB2  MET  48           2HB      MET  48  -6.865  -6.076  10.707
  346    HB3  MET  48           1HB      MET  48  -5.414  -6.750  11.426
  347    HG2  MET  48           2HG      MET  48  -5.873  -3.803  11.444
  348    HG3  MET  48           1HG      MET  48  -6.667  -4.844  12.625
  349    HE1  MET  48           3HE      MET  48  -4.464  -2.386  12.968
  350    HE2  MET  48           1HE      MET  48  -3.624  -2.981  14.398
  351    HE3  MET  48           2HE      MET  48  -5.380  -3.095  14.297
  352    HA   PRO  49           HA       PRO  49  -1.186  -4.661  11.125
  353    HB2  PRO  49           2HB      PRO  49  -0.032  -7.166  10.041
  354    HB3  PRO  49           1HB      PRO  49   0.160  -6.444  11.645
  355    HG2  PRO  49           2HG      PRO  49  -1.331  -8.619  11.331
  356    HG3  PRO  49           1HG      PRO  49  -1.845  -7.318  12.422
  357    HD2  PRO  49           2HD      PRO  49  -2.755  -7.899   9.620
  358    HD3  PRO  49           1HD      PRO  49  -3.723  -7.530  11.057
  359    H    LEU  50           H        LEU  50  -1.931  -6.303   8.149
  360    HA   LEU  50           HA       LEU  50   0.196  -5.490   6.533
  361    HB2  LEU  50           2HB      LEU  50  -1.582  -7.223   6.066
  362    HB3  LEU  50           1HB      LEU  50  -2.676  -5.915   5.681
  363    HG   LEU  50           HG       LEU  50  -1.755  -7.032   3.696
  364   HD11  LEU  50          1HD1      LEU  50  -1.053  -5.034   2.471
  365   HD12  LEU  50          2HD1      LEU  50  -0.867  -4.175   4.000
  366   HD13  LEU  50          3HD1      LEU  50  -2.463  -4.728   3.486
  367   HD21  LEU  50          3HD2      LEU  50   0.521  -6.913   3.083
  368   HD22  LEU  50          1HD2      LEU  50   0.467  -7.528   4.734
  369   HD23  LEU  50          2HD2      LEU  50   0.896  -5.844   4.431
  370    H    ARG  51           H        ARG  51  -2.990  -3.968   7.080
  371    HA   ARG  51           HA       ARG  51  -2.420  -1.729   5.449
  372    HB2  ARG  51           2HB      ARG  51  -4.404  -0.688   6.448
  373    HB3  ARG  51           1HB      ARG  51  -4.719  -2.330   5.914
  374    HG2  ARG  51           2HG      ARG  51  -4.365  -3.051   8.296
  375    HG3  ARG  51           1HG      ARG  51  -4.351  -1.341   8.723
  376    HD2  ARG  51           2HD      ARG  51  -6.608  -2.684   7.259
  377    HD3  ARG  51           1HD      ARG  51  -6.549  -2.505   9.009
  378    HE   ARG  51           HE       ARG  51  -6.242   0.024   8.203
  379   HH11  ARG  51          1HH1      ARG  51  -8.490  -2.451   7.173
  380   HH12  ARG  51          2HH1      ARG  51  -9.787  -1.333   6.894
  381   HH21  ARG  51          1HH2      ARG  51  -7.953   1.497   7.832
  382   HH22  ARG  51          2HH2      ARG  51  -9.482   0.903   7.257
  383    H    ALA  52           H        ALA  52  -2.115  -2.304   8.933
  384    HA   ALA  52           HA       ALA  52  -1.502   0.308   9.684
  385    HB1  ALA  52           1HB      ALA  52  -0.469  -2.252  10.900
  386    HB2  ALA  52           2HB      ALA  52  -2.001  -1.468  11.289
  387    HB3  ALA  52           3HB      ALA  52  -0.479  -0.665  11.672
  388    H    TRP  53           H        TRP  53   0.749  -2.336   8.745
  389    HA   TRP  53           HA       TRP  53   2.998  -0.594   8.995
  390    HB2  TRP  53           2HB      TRP  53   4.365  -2.397   8.427
  391    HB3  TRP  53           1HB      TRP  53   2.997  -3.148   9.225
  392    HD1  TRP  53           HD       TRP  53   1.722  -4.976   7.954
  393    HE1  TRP  53           1HE      TRP  53   1.941  -6.036   5.627
  394    HE3  TRP  53           3HE      TRP  53   5.088  -1.733   5.894
  395    HZ2  TRP  53           2HZ      TRP  53   3.331  -5.551   3.226
  396    HZ3  TRP  53           3HZ      TRP  53   5.822  -2.111   3.581
  397    HH2  TRP  53           HH       TRP  53   4.961  -3.986   2.275
  398    H    VAL  54           H        VAL  54   0.945  -1.608   6.327
  399    HA   VAL  54           HA       VAL  54   2.680  -0.652   4.294
  400    HB   VAL  54           HB       VAL  54   0.611  -2.322   4.224
  401   HG11  VAL  54          1HG1      VAL  54  -1.287  -1.362   3.043
  402   HG12  VAL  54          2HG1      VAL  54  -0.577   0.245   3.188
  403   HG13  VAL  54          3HG1      VAL  54  -1.087  -0.625   4.632
  404   HG21  VAL  54          3HG2      VAL  54   1.506  -0.597   1.921
  405   HG22  VAL  54          1HG2      VAL  54   0.653  -2.133   1.778
  406   HG23  VAL  54          2HG2      VAL  54   2.268  -2.086   2.482
  407    H    ILE  55           H        ILE  55  -0.176   0.745   5.903
  408    HA   ILE  55           HA       ILE  55  -0.133   3.176   4.458
  409    HB   ILE  55           HB       ILE  55  -1.251   2.509   7.180
  410   HG12  ILE  55          2HG1      ILE  55  -2.619   2.961   4.524
  411   HG13  ILE  55          1HG1      ILE  55  -2.235   1.377   5.196
  412   HG21  ILE  55          1HG2      ILE  55  -1.657   5.023   5.569
  413   HG22  ILE  55          2HG2      ILE  55  -0.760   4.887   7.084
  414   HG23  ILE  55          3HG2      ILE  55  -2.499   4.591   7.060
  415   HD11  ILE  55          3HD1      ILE  55  -4.087   3.417   6.409
  416   HD12  ILE  55          1HD1      ILE  55  -3.715   1.828   7.081
  417   HD13  ILE  55          2HD1      ILE  55  -4.566   1.958   5.540
  418    H    LYS  56           H        LYS  56   1.400   2.155   7.503
  419    HA   LYS  56           HA       LYS  56   2.594   4.634   8.099
  420    HB2  LYS  56           2HB      LYS  56   3.228   1.804   8.833
  421    HB3  LYS  56           1HB      LYS  56   4.378   3.073   9.220
  422    HG2  LYS  56           2HG      LYS  56   1.501   2.984  10.111
  423    HG3  LYS  56           1HG      LYS  56   2.900   2.565  11.099
  424    HD2  LYS  56           2HD      LYS  56   2.272   5.274   9.924
  425    HD3  LYS  56           1HD      LYS  56   2.163   4.815  11.620
  426    HE2  LYS  56           2HE      LYS  56   4.680   4.925   9.957
  427    HE3  LYS  56           1HE      LYS  56   4.198   6.085  11.191
  428    HZ1  LYS  56           3HZ      LYS  56   4.834   3.221  11.647
  429    HZ2  LYS  56           1HZ      LYS  56   4.335   4.311  12.841
  430    HZ3  LYS  56           2HZ      LYS  56   5.812   4.535  12.053
  431    H    CYS  57           H        CYS  57   3.872   1.834   6.308
  432    HA   CYS  57           HA       CYS  57   6.371   2.931   5.699
  433    HB2  CYS  57           2HB      CYS  57   5.794   0.549   5.390
  434    HB3  CYS  57           1HB      CYS  57   4.746   0.985   4.046
  435    HG   CYS  57           HG       CYS  57   7.429   2.328   3.120
  436    H    ALA  58           H        ALA  58   3.308   3.059   3.905
  437    HA   ALA  58           HA       ALA  58   4.261   4.541   1.708
  438    HB1  ALA  58           1HB      ALA  58   1.915   5.085   1.290
  439    HB2  ALA  58           2HB      ALA  58   1.488   4.497   2.897
  440    HB3  ALA  58           3HB      ALA  58   2.112   3.379   1.685
  441    H    HIS  59           H        HIS  59   2.912   5.516   4.824
  442    HA   HIS  59           HA       HIS  59   2.818   8.285   4.334
  443    HB2  HIS  59           2HB      HIS  59   1.740   6.976   6.257
  444    HB3  HIS  59           1HB      HIS  59   3.316   7.030   7.039
  445    HD1  HIS  59           1HD      HIS  59   1.192   8.361   8.605
  446    HD2  HIS  59           2HD      HIS  59   3.238  10.344   5.597
  447    HE1  HIS  59           1HE      HIS  59   0.873  10.817   9.078
  448    HE2  HIS  59           2HE      HIS  59   2.359  11.976   7.392
  449    H    GLU  60           H        GLU  60   5.320   6.227   5.774
  450    HA   GLU  60           HA       GLU  60   7.158   8.251   6.411
  451    HB2  GLU  60           2HB      GLU  60   7.670   5.365   5.672
  452    HB3  GLU  60           1HB      GLU  60   8.839   6.437   6.429
  453    HG2  GLU  60           2HG      GLU  60   6.225   5.545   7.620
  454    HG3  GLU  60           1HG      GLU  60   7.825   4.940   8.046
  455    H    ALA  61           H        ALA  61   6.856   6.222   3.513
  456    HA   ALA  61           HA       ALA  61   9.127   7.268   2.194
  457    HB1  ALA  61           1HB      ALA  61   8.135   5.117   1.598
  458    HB2  ALA  61           2HB      ALA  61   8.225   6.184   0.196
  459    HB3  ALA  61           3HB      ALA  61   6.686   5.939   1.020
  460    H    LEU  62           H        LEU  62   5.691   8.080   2.055
  461    HA   LEU  62           HA       LEU  62   5.892   9.863  -0.115
  462    HB2  LEU  62           2HB      LEU  62   3.836   8.724   0.705
  463    HB3  LEU  62           1HB      LEU  62   3.802   9.834   2.059
  464    HG   LEU  62           HG       LEU  62   2.206  10.356   0.209
  465   HD11  LEU  62          1HD1      LEU  62   4.271  12.486   0.718
  466   HD12  LEU  62          2HD1      LEU  62   2.911  12.096   1.770
  467   HD13  LEU  62          3HD1      LEU  62   2.618  12.741   0.156
  468   HD21  LEU  62          3HD2      LEU  62   4.706  11.025  -1.323
  469   HD22  LEU  62          1HD2      LEU  62   3.052  11.344  -1.836
  470   HD23  LEU  62          2HD2      LEU  62   3.611   9.684  -1.653
  471    H    GLU  63           H        GLU  63   5.871  10.475   3.417
  472    HA   GLU  63           HA       GLU  63   6.046  13.303   3.036
  473    HB2  GLU  63           2HB      GLU  63   6.297  11.503   5.407
  474    HB3  GLU  63           1HB      GLU  63   6.854  13.166   5.533
  475    HG2  GLU  63           2HG      GLU  63   4.554  13.836   4.682
  476    HG3  GLU  63           1HG      GLU  63   4.078  12.167   4.995
  477    H    LYS  64           H        LYS  64   8.395  10.754   3.182
  478    HA   LYS  64           HA       LYS  64  10.626  12.401   3.878
  479    HB2  LYS  64           2HB      LYS  64  10.606   9.956   4.227
  480    HB3  LYS  64           1HB      LYS  64  10.573   9.715   2.487
  481    HG2  LYS  64           2HG      LYS  64  12.766  10.608   2.244
  482    HG3  LYS  64           1HG      LYS  64  12.794  11.153   3.920
  483    HD2  LYS  64           2HD      LYS  64  12.427   8.253   3.256
  484    HD3  LYS  64           1HD      LYS  64  14.036   8.971   3.283
  485    HE2  LYS  64           2HE      LYS  64  13.513   7.919   5.420
  486    HE3  LYS  64           1HE      LYS  64  13.702   9.658   5.604
  487    HZ1  LYS  64           3HZ      LYS  64  11.796   8.670   6.829
  488    HZ2  LYS  64           1HZ      LYS  64  11.065   8.317   5.345
  489    HZ3  LYS  64           2HZ      LYS  64  11.364   9.926   5.788
  490    H    ASN  65           H        ASN  65   9.196  11.274   0.891
  491    HA   ASN  65           HA       ASN  65  10.625  13.375  -0.538
  492    HB2  ASN  65           2HB      ASN  65  10.774  11.753  -2.524
  493    HB3  ASN  65           1HB      ASN  65  11.922  11.524  -1.213
  494   HD21  ASN  65          1HD2      ASN  65   9.012  10.311  -2.700
  495   HD22  ASN  65          2HD2      ASN  65   9.116   8.704  -2.081
  496    HA   PRO  66           HA       PRO  66   6.035  13.318  -0.913
  497    HB2  PRO  66           2HB      PRO  66   5.591  15.916  -0.457
  498    HB3  PRO  66           1HB      PRO  66   6.011  14.812   0.855
  499    HG2  PRO  66           2HG      PRO  66   7.793  16.691  -0.663
  500    HG3  PRO  66           1HG      PRO  66   7.664  16.453   1.091
  501    HD2  PRO  66           2HD      PRO  66   9.599  15.271  -0.403
  502    HD3  PRO  66           1HD      PRO  66   8.919  14.522   1.045
  503    H    LYS  67           H        LYS  67   8.032  13.611  -3.135
  504    HA   LYS  67           HA       LYS  67   6.308  15.168  -4.939
  505    HB2  LYS  67           2HB      LYS  67   9.320  14.937  -5.057
  506    HB3  LYS  67           1HB      LYS  67   8.312  15.765  -6.237
  507    HG2  LYS  67           2HG      LYS  67   7.610  17.366  -4.583
  508    HG3  LYS  67           1HG      LYS  67   8.493  16.500  -3.327
  509    HD2  LYS  67           2HD      LYS  67  10.595  16.961  -4.522
  510    HD3  LYS  67           1HD      LYS  67   9.687  17.877  -5.728
  511    HE2  LYS  67           2HE      LYS  67   9.789  18.496  -2.778
  512    HE3  LYS  67           1HE      LYS  67  10.719  19.329  -4.028
  513    HZ1  LYS  67           3HZ      LYS  67   8.724  20.558  -3.438
  514    HZ2  LYS  67           1HZ      LYS  67   7.753  19.238  -3.856
  515    HZ3  LYS  67           2HZ      LYS  67   8.644  20.042  -5.046
  516    H    ILE  68           H        ILE  68   6.447  12.301  -4.167
  517    HA   ILE  68           HA       ILE  68   7.077  11.111  -6.763
  518    HB   ILE  68           HB       ILE  68   6.601   8.925  -5.654
  519   HG12  ILE  68          2HG1      ILE  68   6.701  10.484  -3.049
  520   HG13  ILE  68          1HG1      ILE  68   5.210   9.908  -3.789
  521   HG21  ILE  68          1HG2      ILE  68   8.809  10.670  -4.612
  522   HG22  ILE  68          2HG2      ILE  68   8.845   9.575  -5.993
  523   HG23  ILE  68          3HG2      ILE  68   8.737   8.926  -4.356
  524   HD11  ILE  68          3HD1      ILE  68   5.997   7.614  -3.595
  525   HD12  ILE  68          1HD1      ILE  68   5.973   8.422  -2.029
  526   HD13  ILE  68          2HD1      ILE  68   7.501   8.187  -2.877
  527    H    ARG  69           H        ARG  69   5.477   9.148  -7.106
  528    HA   ARG  69           HA       ARG  69   2.777  10.353  -7.206
  529    HB2  ARG  69           2HB      ARG  69   3.873   8.424  -9.243
  530    HB3  ARG  69           1HB      ARG  69   2.435   9.423  -9.365
  531    HG2  ARG  69           2HG      ARG  69   3.793  11.412  -9.567
  532    HG3  ARG  69           1HG      ARG  69   5.261  10.454  -9.343
  533    HD2  ARG  69           2HD      ARG  69   3.313  10.350 -11.637
  534    HD3  ARG  69           1HD      ARG  69   5.014  10.809 -11.684
  535    HE   ARG  69           HE       ARG  69   4.291   8.075 -10.886
  536   HH11  ARG  69          1HH1      ARG  69   5.766  10.245 -13.220
  537   HH12  ARG  69          2HH1      ARG  69   6.549   8.968 -14.088
  538   HH21  ARG  69          1HH2      ARG  69   5.304   6.407 -12.042
  539   HH22  ARG  69          2HH2      ARG  69   6.279   6.780 -13.427
  540    H    GLU  70           H        GLU  70   4.715   7.449  -6.952
  541    HA   GLU  70           HA       GLU  70   2.787   6.154  -5.309
  542    HB2  GLU  70           2HB      GLU  70   2.263   4.282  -6.726
  543    HB3  GLU  70           1HB      GLU  70   1.821   5.761  -7.568
  544    HG2  GLU  70           2HG      GLU  70   4.345   4.178  -8.056
  545    HG3  GLU  70           1HG      GLU  70   2.873   4.039  -9.009
  546    H    VAL  71           H        VAL  71   3.569   3.887  -4.764
  547    HA   VAL  71           HA       VAL  71   6.468   3.617  -5.095
  548    HB   VAL  71           HB       VAL  71   6.017   4.705  -2.908
  549   HG11  VAL  71          1HG1      VAL  71   3.871   3.811  -2.366
  550   HG12  VAL  71          2HG1      VAL  71   5.011   3.375  -1.093
  551   HG13  VAL  71          3HG1      VAL  71   4.525   2.175  -2.291
  552   HG21  VAL  71          3HG2      VAL  71   8.010   3.351  -3.173
  553   HG22  VAL  71          1HG2      VAL  71   7.109   1.905  -2.717
  554   HG23  VAL  71          2HG2      VAL  71   7.371   3.189  -1.538
  555    H    TYR  72           H        TYR  72   7.212   1.454  -4.979
  556    HA   TYR  72           HA       TYR  72   5.046  -0.522  -5.234
  557    HB2  TYR  72           2HB      TYR  72   7.855  -0.813  -6.329
  558    HB3  TYR  72           1HB      TYR  72   6.435  -1.770  -6.741
  559    HD1  TYR  72           1HD      TYR  72   4.409  -0.260  -7.690
  560    HD2  TYR  72           2HD      TYR  72   8.538   0.757  -7.873
  561    HE1  TYR  72           1HE      TYR  72   3.950   1.246  -9.576
  562    HE2  TYR  72           2HE      TYR  72   8.086   2.267  -9.761
  563    HH   TYR  72           HH       TYR  72   6.337   2.496 -11.569
  564    H    LEU  73           H        LEU  73   4.870  -1.936  -3.732
  565    HA   LEU  73           HA       LEU  73   7.060  -2.164  -1.792
  566    HB2  LEU  73           2HB      LEU  73   5.476  -0.405  -1.177
  567    HB3  LEU  73           1HB      LEU  73   4.155  -1.544  -1.296
  568    HG   LEU  73           HG       LEU  73   5.015  -2.780   0.583
  569   HD11  LEU  73          1HD1      LEU  73   7.170  -0.673   0.686
  570   HD12  LEU  73          2HD1      LEU  73   7.399  -2.376   0.291
  571   HD13  LEU  73          3HD1      LEU  73   6.890  -1.909   1.911
  572   HD21  LEU  73          3HD2      LEU  73   4.541  -1.122   2.298
  573   HD22  LEU  73          1HD2      LEU  73   3.453  -0.921   0.926
  574   HD23  LEU  73          2HD2      LEU  73   4.819   0.174   1.137
  575    H    LYS  74           H        LYS  74   7.400  -4.184  -1.035
  576    HA   LYS  74           HA       LYS  74   5.369  -6.224  -1.623
  577    HB2  LYS  74           2HB      LYS  74   7.481  -6.741  -2.735
  578    HB3  LYS  74           1HB      LYS  74   8.343  -6.606  -1.199
  579    HG2  LYS  74           2HG      LYS  74   6.834  -8.418  -0.325
  580    HG3  LYS  74           1HG      LYS  74   6.280  -8.646  -1.978
  581    HD2  LYS  74           2HD      LYS  74   8.408  -9.389  -2.681
  582    HD3  LYS  74           1HD      LYS  74   9.170  -8.849  -1.178
  583    HE2  LYS  74           2HE      LYS  74   6.943 -10.847  -1.141
  584    HE3  LYS  74           1HE      LYS  74   8.603 -11.366  -1.451
  585    HZ1  LYS  74           3HZ      LYS  74   9.261 -10.506   0.671
  586    HZ2  LYS  74           1HZ      LYS  74   7.911 -11.501   0.908
  587    HZ3  LYS  74           2HZ      LYS  74   7.734  -9.817   0.937
  588    HA   PRO  75           HA       PRO  75   4.685  -6.602   2.728
  589    HB2  PRO  75           2HB      PRO  75   3.650  -9.131   2.700
  590    HB3  PRO  75           1HB      PRO  75   2.727  -7.676   2.317
  591    HG2  PRO  75           2HG      PRO  75   4.027  -9.638   0.476
  592    HG3  PRO  75           1HG      PRO  75   2.438  -8.858   0.345
  593    HD2  PRO  75           2HD      PRO  75   4.548  -8.012  -1.081
  594    HD3  PRO  75           1HD      PRO  75   3.340  -6.879  -0.447
  595    H    ARG  76           H        ARG  76   5.212  -7.958   4.506
  596    HA   ARG  76           HA       ARG  76   8.006  -8.103   4.554
  597    HB2  ARG  76           2HB      ARG  76   6.261  -9.343   6.650
  598    HB3  ARG  76           1HB      ARG  76   7.802  -8.523   6.850
  599    HG2  ARG  76           2HG      ARG  76   6.756  -6.382   6.283
  600    HG3  ARG  76           1HG      ARG  76   5.201  -7.192   6.110
  601    HD2  ARG  76           2HD      ARG  76   6.830  -7.152   8.646
  602    HD3  ARG  76           1HD      ARG  76   5.515  -6.030   8.291
  603    HE   ARG  76           HE       ARG  76   4.245  -8.336   8.022
  604   HH11  ARG  76          1HH1      ARG  76   6.572  -7.400  10.457
  605   HH12  ARG  76          2HH1      ARG  76   5.831  -8.340  11.713
  606   HH21  ARG  76          1HH2      ARG  76   3.219  -9.537   9.685
  607   HH22  ARG  76          2HH2      ARG  76   3.929  -9.555  11.275
  608    H    ALA  77           H        ALA  77   5.539 -10.635   4.539
  609    HA   ALA  77           HA       ALA  77   7.321 -12.706   5.275
  610    HB1  ALA  77           1HB      ALA  77   4.654 -12.906   3.883
  611    HB2  ALA  77           2HB      ALA  77   4.915 -12.893   5.627
  612    HB3  ALA  77           3HB      ALA  77   5.524 -14.231   4.654
  613    H    VAL  78           H        VAL  78   8.929 -13.354   4.118
  614    HA   VAL  78           HA       VAL  78   9.117 -13.219   1.287
  615    HB   VAL  78           HB       VAL  78  10.611 -15.109   3.120
  616   HG11  VAL  78          1HG1      VAL  78  11.342 -13.985   0.419
  617   HG12  VAL  78          2HG1      VAL  78  10.828 -15.639   0.746
  618   HG13  VAL  78          3HG1      VAL  78  12.350 -15.040   1.407
  619   HG21  VAL  78          3HG2      VAL  78  10.829 -12.830   3.938
  620   HG22  VAL  78          1HG2      VAL  78  11.296 -12.280   2.331
  621   HG23  VAL  78          2HG2      VAL  78  12.348 -13.375   3.225
  622    H    LYS  79           H        LYS  79   7.420 -15.233   3.396
  623    HA   LYS  79           HA       LYS  79   7.452 -17.737   2.186
  624    HB2  LYS  79           2HB      LYS  79   5.127 -16.440   3.613
  625    HB3  LYS  79           1HB      LYS  79   5.365 -18.163   3.367
  626    HG2  LYS  79           2HG      LYS  79   7.157 -16.382   5.002
  627    HG3  LYS  79           1HG      LYS  79   5.904 -17.441   5.648
  628    HD2  LYS  79           2HD      LYS  79   7.089 -19.370   4.618
  629    HD3  LYS  79           1HD      LYS  79   8.381 -18.268   4.141
  630    HE2  LYS  79           2HE      LYS  79   7.482 -18.869   6.957
  631    HE3  LYS  79           1HE      LYS  79   8.971 -19.420   6.193
  632    HZ1  LYS  79           3HZ      LYS  79   9.390 -17.532   7.611
  633    HZ2  LYS  79           1HZ      LYS  79   8.252 -16.599   6.777
  634    HZ3  LYS  79           2HZ      LYS  79   9.667 -17.102   6.001
  635    H    ASN  80           H        ASN  80   5.370 -14.928   1.483
  636    HA   ASN  80           HA       ASN  80   3.789 -16.389  -0.389
  637    HB2  ASN  80           2HB      ASN  80   3.112 -13.994  -1.136
  638    HB3  ASN  80           1HB      ASN  80   2.567 -14.629   0.412
  639   HD21  ASN  80          1HD2      ASN  80   2.973 -13.537   2.141
  640   HD22  ASN  80          2HD2      ASN  80   4.049 -12.202   2.256
  641    H    SER  81           H        SER  81   6.513 -14.233  -0.573
  642    HA   SER  81           HA       SER  81   8.169 -14.002  -2.080
  643    HB2  SER  81           2HB      SER  81   6.849 -16.268  -3.583
  644    HB3  SER  81           1HB      SER  81   8.480 -15.656  -3.848
  645    HG   SER  81           HG       SER  81   8.155 -16.226  -1.245
  646    H    SER  82           H        SER  82   5.223 -14.720  -4.006
  647    HA   SER  82           HA       SER  82   5.977 -12.432  -5.686
  648    HB2  SER  82           2HB      SER  82   4.638 -13.649  -7.464
  649    HB3  SER  82           1HB      SER  82   6.137 -14.428  -6.957
  650    HG   SER  82           HG       SER  82   3.720 -15.452  -6.951
  651    H    VAL  83           H        VAL  83   4.645 -11.535  -3.624
  652    HA   VAL  83           HA       VAL  83   2.147 -10.714  -4.919
  653    HB   VAL  83           HB       VAL  83   1.503 -12.189  -3.038
  654   HG11  VAL  83          1HG1      VAL  83   2.921 -10.187  -1.303
  655   HG12  VAL  83          2HG1      VAL  83   3.429 -11.849  -1.601
  656   HG13  VAL  83          3HG1      VAL  83   1.926 -11.529  -0.737
  657   HG21  VAL  83          3HG2      VAL  83  -0.029 -10.648  -1.917
  658   HG22  VAL  83          1HG2      VAL  83   0.032 -10.340  -3.653
  659   HG23  VAL  83          2HG2      VAL  83   0.892  -9.279  -2.538
  660    H    GLN  84           H        GLN  84   1.926  -8.538  -5.037
  661    HA   GLN  84           HA       GLN  84   3.807  -6.898  -3.486
  662    HB2  GLN  84           2HB      GLN  84   3.391  -6.735  -6.473
  663    HB3  GLN  84           1HB      GLN  84   4.334  -5.598  -5.519
  664    HG2  GLN  84           2HG      GLN  84   5.902  -7.328  -4.930
  665    HG3  GLN  84           1HG      GLN  84   4.927  -8.536  -5.765
  666   HE21  GLN  84          1HE2      GLN  84   6.587  -9.107  -7.128
  667   HE22  GLN  84          2HE2      GLN  84   7.118  -8.087  -8.418
  668    H    PHE  85           H        PHE  85   3.073  -4.916  -2.909
  669    HA   PHE  85           HA       PHE  85   0.341  -4.226  -3.736
  670    HB2  PHE  85           2HB      PHE  85   1.950  -3.271  -1.354
  671    HB3  PHE  85           1HB      PHE  85   0.329  -2.718  -1.765
  672    HD1  PHE  85           2HD      PHE  85  -1.577  -4.304  -1.640
  673    HD2  PHE  85           1HD      PHE  85   2.303  -5.306  -0.227
  674    HE1  PHE  85           2HE      PHE  85  -2.533  -6.169  -0.350
  675    HE2  PHE  85           1HE      PHE  85   1.355  -7.175   1.060
  676    HZ   PHE  85           HZ       PHE  85  -1.061  -7.610   1.002
  677    H    HIS  86           H        HIS  86   0.100  -2.635  -5.104
  678    HA   HIS  86           HA       HIS  86   2.347  -0.809  -5.566
  679    HB2  HIS  86           2HB      HIS  86  -0.202  -1.193  -7.162
  680    HB3  HIS  86           1HB      HIS  86   1.129  -0.127  -7.598
  681    HD1  HIS  86           1HD      HIS  86  -0.170  -3.043  -8.783
  682    HD2  HIS  86           2HD      HIS  86   3.651  -2.085  -7.428
  683    HE1  HIS  86           1HE      HIS  86   1.378  -4.725  -9.845
  684    HE2  HIS  86           2HE      HIS  86   3.688  -4.084  -9.071
  685    H    VAL  87           H        VAL  87   2.282   0.834  -4.141
  686    HA   VAL  87           HA       VAL  87  -0.329   1.818  -3.289
  687    HB   VAL  87           HB       VAL  87   2.464   2.473  -2.338
  688   HG11  VAL  87          1HG1      VAL  87  -0.182   3.486  -1.326
  689   HG12  VAL  87          2HG1      VAL  87   1.061   4.435  -2.142
  690   HG13  VAL  87          3HG1      VAL  87   1.379   3.747  -0.550
  691   HG21  VAL  87          3HG2      VAL  87   1.771   1.368  -0.274
  692   HG22  VAL  87          1HG2      VAL  87   1.690   0.271  -1.652
  693   HG23  VAL  87          2HG2      VAL  87   0.212   0.985  -1.003
  694    H    ILE  88           H        ILE  88  -1.215   3.275  -4.527
  695    HA   ILE  88           HA       ILE  88   0.504   5.087  -6.065
  696    HB   ILE  88           HB       ILE  88  -2.361   4.247  -6.507
  697   HG12  ILE  88          2HG1      ILE  88   0.134   3.704  -8.131
  698   HG13  ILE  88          1HG1      ILE  88  -0.618   2.551  -7.034
  699   HG21  ILE  88          1HG2      ILE  88  -2.032   6.558  -7.185
  700   HG22  ILE  88          2HG2      ILE  88  -2.242   5.518  -8.592
  701   HG23  ILE  88          3HG2      ILE  88  -0.633   6.088  -8.150
  702   HD11  ILE  88          3HD1      ILE  88  -2.629   2.551  -8.406
  703   HD12  ILE  88          1HD1      ILE  88  -1.206   2.093  -9.342
  704   HD13  ILE  88          2HD1      ILE  88  -1.882   3.713  -9.502
  705    H    PHE  89           H        PHE  89   0.366   7.230  -5.813
  706    HA   PHE  89           HA       PHE  89  -1.351   8.150  -3.634
  707    HB2  PHE  89           2HB      PHE  89   1.184   9.296  -4.803
  708    HB3  PHE  89           1HB      PHE  89   0.243  10.057  -3.523
  709    HD1  PHE  89           1HD      PHE  89  -0.430   8.349  -1.597
  710    HD2  PHE  89           2HD      PHE  89   2.976   8.023  -4.123
  711    HE1  PHE  89           1HE      PHE  89   0.648   6.892   0.056
  712    HE2  PHE  89           2HE      PHE  89   4.065   6.571  -2.459
  713    HZ   PHE  89           HZ       PHE  89   2.878   6.015  -0.385
  714    H    ASP  90           H        ASP  90  -3.211   8.954  -4.409
  715    HA   ASP  90           HA       ASP  90  -3.326  10.114  -7.066
  716    HB2  ASP  90           2HB      ASP  90  -5.431   9.434  -5.023
  717    HB3  ASP  90           1HB      ASP  90  -5.810  10.340  -6.480
  718    H    GLU  91           H        GLU  91  -3.224  12.199  -7.495
  719    HA   GLU  91           HA       GLU  91  -3.513  14.114  -5.309
  720    HB2  GLU  91           2HB      GLU  91  -1.962  14.030  -7.765
  721    HB3  GLU  91           1HB      GLU  91  -2.851  15.539  -7.604
  722    HG2  GLU  91           2HG      GLU  91  -1.058  14.398  -5.474
  723    HG3  GLU  91           1HG      GLU  91  -0.555  15.597  -6.664
  724    H    GLU  92           H        GLU  92  -5.269  15.251  -5.058
  725    HA   GLU  92           HA       GLU  92  -6.989  15.760  -7.368
  726    HB2  GLU  92           2HB      GLU  92  -8.942  15.638  -5.724
  727    HB3  GLU  92           1HB      GLU  92  -8.219  14.117  -6.222
  728    HG2  GLU  92           2HG      GLU  92  -6.943  14.059  -4.118
  729    HG3  GLU  92           1HG      GLU  92  -7.739  15.552  -3.621
  Start of MODEL   20
    1    H1   GLY   1           1HT      GLY   1  -1.157 -15.761  -6.786
    2    H2   GLY   1           2HT      GLY   1   0.423 -15.352  -6.352
    3    H3   GLY   1           3HT      GLY   1  -0.562 -16.182  -5.260
    4    HA2  GLY   1           1HA      GLY   1   1.039 -17.678  -6.255
    5    HA3  GLY   1           2HA      GLY   1  -0.607 -18.106  -6.703
    6    H    SER   2           H        SER   2   1.071 -19.170  -8.339
    7    HA   SER   2           HA       SER   2   1.679 -17.357 -10.535
    8    HB2  SER   2           2HB      SER   2   3.346 -19.066  -9.842
    9    HB3  SER   2           1HB      SER   2   2.202 -20.333 -10.283
   10    HG   SER   2           HG       SER   2   3.907 -19.544 -11.880
   11    H    ALA   3           H        ALA   3   0.117 -16.918 -11.944
   12    HA   ALA   3           HA       ALA   3  -1.574 -19.138 -12.867
   13    HB1  ALA   3           1HB      ALA   3  -2.549 -16.332 -12.355
   14    HB2  ALA   3           2HB      ALA   3  -2.873 -17.730 -11.329
   15    HB3  ALA   3           3HB      ALA   3  -3.507 -17.677 -12.974
   16    H    MET   4           H        MET   4  -0.870 -15.720 -13.624
   17    HA   MET   4           HA       MET   4  -1.006 -16.350 -16.466
   18    HB2  MET   4           2HB      MET   4  -0.720 -13.721 -15.004
   19    HB3  MET   4           1HB      MET   4  -0.777 -13.875 -16.754
   20    HG2  MET   4           2HG      MET   4  -2.958 -14.661 -14.836
   21    HG3  MET   4           1HG      MET   4  -2.933 -13.220 -15.850
   22    HE1  MET   4           3HE      MET   4  -3.217 -14.727 -19.448
   23    HE2  MET   4           1HE      MET   4  -1.725 -14.342 -18.589
   24    HE3  MET   4           2HE      MET   4  -3.109 -13.254 -18.484
   25    H    GLY   5           H        GLY   5   0.917 -17.658 -16.417
   26    HA2  GLY   5           2HA      GLY   5   3.077 -17.155 -17.632
   27    HA3  GLY   5           1HA      GLY   5   3.407 -16.083 -16.276
   28    H    HIS   6           H        HIS   6   5.338 -17.721 -16.472
   29    HA   HIS   6           HA       HIS   6   4.807 -20.182 -15.013
   30    HB2  HIS   6           2HB      HIS   6   6.472 -19.990 -16.941
   31    HB3  HIS   6           1HB      HIS   6   7.507 -19.104 -15.828
   32    HD1  HIS   6           1HD      HIS   6   9.184 -20.541 -14.722
   33    HD2  HIS   6           2HD      HIS   6   5.746 -22.657 -15.703
   34    HE1  HIS   6           1HE      HIS   6   9.629 -22.914 -14.025
   35    HE2  HIS   6           2HE      HIS   6   7.599 -24.201 -14.778
   36    H    MET   7           H        MET   7   6.680 -17.202 -14.637
   37    HA   MET   7           HA       MET   7   6.291 -17.431 -11.739
   38    HB2  MET   7           2HB      MET   7   8.615 -18.065 -12.212
   39    HB3  MET   7           1HB      MET   7   8.854 -16.564 -13.095
   40    HG2  MET   7           2HG      MET   7   9.807 -16.484 -10.843
   41    HG3  MET   7           1HG      MET   7   8.543 -15.280 -11.077
   42    HE1  MET   7           3HE      MET   7   9.523 -18.690  -9.421
   43    HE2  MET   7           1HE      MET   7   8.145 -19.163 -10.414
   44    HE3  MET   7           2HE      MET   7   8.011 -19.177  -8.656
   45    HA   PRO   8           HA       PRO   8   4.965 -13.300 -13.159
   46    HB2  PRO   8           2HB      PRO   8   2.426 -13.413 -12.363
   47    HB3  PRO   8           1HB      PRO   8   2.950 -14.254 -13.826
   48    HG2  PRO   8           2HG      PRO   8   2.338 -15.348 -11.126
   49    HG3  PRO   8           1HG      PRO   8   2.066 -16.070 -12.721
   50    HD2  PRO   8           2HD      PRO   8   4.221 -16.598 -10.983
   51    HD3  PRO   8           1HD      PRO   8   4.093 -17.085 -12.683
   52    H    ALA   9           H        ALA   9   3.728 -11.588 -11.815
   53    HA   ALA   9           HA       ALA   9   4.312 -11.916  -8.950
   54    HB1  ALA   9           1HB      ALA   9   4.587  -9.378 -10.557
   55    HB2  ALA   9           2HB      ALA   9   5.913 -10.366  -9.946
   56    HB3  ALA   9           3HB      ALA   9   4.842  -9.539  -8.818
   57    H    VAL  10           H        VAL  10   2.768 -11.252  -7.548
   58    HA   VAL  10           HA       VAL  10   0.134 -10.812  -8.703
   59    HB   VAL  10           HB       VAL  10   1.004 -11.384  -5.863
   60   HG11  VAL  10          1HG1      VAL  10  -1.795 -11.293  -6.981
   61   HG12  VAL  10          2HG1      VAL  10  -1.077 -10.059  -5.945
   62   HG13  VAL  10          3HG1      VAL  10  -1.334 -11.691  -5.327
   63   HG21  VAL  10          3HG2      VAL  10  -0.047 -13.580  -6.292
   64   HG22  VAL  10          1HG2      VAL  10   1.342 -13.267  -7.331
   65   HG23  VAL  10          2HG2      VAL  10  -0.295 -13.104  -7.969
   66    H    ASP  11           H        ASP  11  -0.741  -8.883  -8.840
   67    HA   ASP  11           HA       ASP  11   0.551  -6.668  -7.402
   68    HB2  ASP  11           2HB      ASP  11   0.599  -6.577  -9.885
   69    HB3  ASP  11           1HB      ASP  11  -1.160  -6.595  -9.903
   70    H    VAL  12           H        VAL  12  -0.511  -5.966  -5.707
   71    HA   VAL  12           HA       VAL  12  -3.460  -5.796  -5.840
   72    HB   VAL  12           HB       VAL  12  -1.823  -5.969  -3.299
   73   HG11  VAL  12          1HG1      VAL  12  -4.776  -6.245  -3.822
   74   HG12  VAL  12          2HG1      VAL  12  -3.970  -4.872  -3.059
   75   HG13  VAL  12          3HG1      VAL  12  -3.987  -6.444  -2.257
   76   HG21  VAL  12          3HG2      VAL  12  -1.593  -8.066  -4.544
   77   HG22  VAL  12          1HG2      VAL  12  -3.350  -8.190  -4.651
   78   HG23  VAL  12          2HG2      VAL  12  -2.555  -8.283  -3.080
   79    H    GLU  13           H        GLU  13  -4.221  -3.664  -5.715
   80    HA   GLU  13           HA       GLU  13  -2.042  -1.739  -5.351
   81    HB2  GLU  13           2HB      GLU  13  -3.168  -0.305  -7.028
   82    HB3  GLU  13           1HB      GLU  13  -2.587  -1.829  -7.671
   83    HG2  GLU  13           2HG      GLU  13  -4.881  -2.722  -7.542
   84    HG3  GLU  13           1HG      GLU  13  -5.433  -1.137  -6.997
   85    H    ILE  14           H        ILE  14  -2.270  -0.104  -4.074
   86    HA   ILE  14           HA       ILE  14  -4.907   0.364  -2.856
   87    HB   ILE  14           HB       ILE  14  -2.402   1.225  -1.465
   88   HG12  ILE  14          2HG1      ILE  14  -3.490  -1.602  -1.280
   89   HG13  ILE  14          1HG1      ILE  14  -2.011  -1.165  -2.124
   90   HG21  ILE  14          1HG2      ILE  14  -4.526   1.894  -0.565
   91   HG22  ILE  14          2HG2      ILE  14  -3.796   0.707   0.518
   92   HG23  ILE  14          3HG2      ILE  14  -5.099   0.227  -0.568
   93   HD11  ILE  14          3HD1      ILE  14  -2.533  -0.887   0.832
   94   HD12  ILE  14          1HD1      ILE  14  -1.054  -0.380   0.009
   95   HD13  ILE  14          2HD1      ILE  14  -1.496  -2.085   0.051
   96    H    HIS  15           H        HIS  15  -5.392   2.630  -2.404
   97    HA   HIS  15           HA       HIS  15  -3.776   4.454  -4.051
   98    HB2  HIS  15           2HB      HIS  15  -6.781   4.329  -3.795
   99    HB3  HIS  15           1HB      HIS  15  -5.924   5.681  -4.529
  100    HD1  HIS  15           1HD      HIS  15  -7.250   2.350  -5.265
  101    HD2  HIS  15           2HD      HIS  15  -4.447   4.939  -6.924
  102    HE1  HIS  15           1HE      HIS  15  -6.792   1.463  -7.571
  103    HE2  HIS  15           2HE      HIS  15  -5.297   3.188  -8.629
  104    H    PHE  16           H        PHE  16  -3.063   6.217  -3.135
  105    HA   PHE  16           HA       PHE  16  -4.123   7.000  -0.495
  106    HB2  PHE  16           2HB      PHE  16  -1.270   6.617  -1.394
  107    HB3  PHE  16           1HB      PHE  16  -1.672   7.643  -0.028
  108    HD1  PHE  16           2HD      PHE  16  -2.596   4.196  -1.181
  109    HD2  PHE  16           1HD      PHE  16  -1.295   6.712   1.981
  110    HE1  PHE  16           2HE      PHE  16  -2.500   2.253   0.324
  111    HE2  PHE  16           1HE      PHE  16  -1.196   4.777   3.495
  112    HZ   PHE  16           HZ       PHE  16  -1.802   2.541   2.666
  113    HA   PRO  17           HA       PRO  17  -4.215  10.937  -2.864
  114    HB2  PRO  17           2HB      PRO  17  -5.525  11.808  -0.373
  115    HB3  PRO  17           1HB      PRO  17  -6.063  11.986  -2.044
  116    HG2  PRO  17           2HG      PRO  17  -7.216  10.259  -0.349
  117    HG3  PRO  17           1HG      PRO  17  -7.074   9.923  -2.081
  118    HD2  PRO  17           2HD      PRO  17  -5.511   8.822   0.206
  119    HD3  PRO  17           1HD      PRO  17  -6.002   8.035  -1.306
  120    H    LEU  18           H        LEU  18  -2.467  12.166  -2.793
  121    HA   LEU  18           HA       LEU  18  -0.449  11.750  -0.966
  122    HB2  LEU  18           2HB      LEU  18   0.204  14.180  -1.936
  123    HB3  LEU  18           1HB      LEU  18   0.686  12.652  -2.607
  124    HG   LEU  18           HG       LEU  18  -0.079  14.411  -4.189
  125   HD11  LEU  18          1HD1      LEU  18  -1.284  11.690  -4.189
  126   HD12  LEU  18          2HD1      LEU  18   0.068  12.324  -5.119
  127   HD13  LEU  18          3HD1      LEU  18  -1.578  12.824  -5.501
  128   HD21  LEU  18          3HD2      LEU  18  -1.936  15.313  -2.919
  129   HD22  LEU  18          1HD2      LEU  18  -2.819  13.801  -3.122
  130   HD23  LEU  18          2HD2      LEU  18  -2.441  14.800  -4.526
  131    H    LYS  19           H        LYS  19  -2.759  14.361  -1.103
  132    HA   LYS  19           HA       LYS  19  -1.510  16.081   0.718
  133    HB2  LYS  19           2HB      LYS  19  -4.424  15.804  -0.005
  134    HB3  LYS  19           1HB      LYS  19  -3.783  17.105   0.982
  135    HG2  LYS  19           2HG      LYS  19  -2.372  17.823  -0.877
  136    HG3  LYS  19           1HG      LYS  19  -3.016  16.514  -1.865
  137    HD2  LYS  19           2HD      LYS  19  -4.699  18.702  -0.645
  138    HD3  LYS  19           1HD      LYS  19  -4.074  18.721  -2.293
  139    HE2  LYS  19           2HE      LYS  19  -5.302  16.762  -2.851
  140    HE3  LYS  19           1HE      LYS  19  -5.861  16.572  -1.192
  141    HZ1  LYS  19           3HZ      LYS  19  -7.263  18.392  -1.383
  142    HZ2  LYS  19           1HZ      LYS  19  -7.424  17.646  -2.895
  143    HZ3  LYS  19           2HZ      LYS  19  -6.451  19.022  -2.726
  144    H    ARG  20           H        ARG  20  -3.583  13.310   1.279
  145    HA   ARG  20           HA       ARG  20  -3.847  14.064   4.083
  146    HB2  ARG  20           2HB      ARG  20  -5.471  12.574   2.236
  147    HB3  ARG  20           1HB      ARG  20  -5.159  11.620   3.682
  148    HG2  ARG  20           2HG      ARG  20  -6.144  13.171   5.084
  149    HG3  ARG  20           1HG      ARG  20  -6.045  14.463   3.885
  150    HD2  ARG  20           2HD      ARG  20  -7.651  13.006   2.498
  151    HD3  ARG  20           1HD      ARG  20  -7.953  12.149   4.012
  152    HE   ARG  20           HE       ARG  20  -8.185  15.017   4.217
  153   HH11  ARG  20          1HH1      ARG  20  -9.937  12.049   3.551
  154   HH12  ARG  20          2HH1      ARG  20 -11.496  12.797   3.764
  155   HH21  ARG  20          1HH2      ARG  20 -10.218  15.976   4.488
  156   HH22  ARG  20          2HH2      ARG  20 -11.656  15.023   4.291
  157    H    ILE  21           H        ILE  21  -2.387  11.529   2.094
  158    HA   ILE  21           HA       ILE  21  -1.541   9.955   4.318
  159    HB   ILE  21           HB       ILE  21  -1.625   8.891   2.172
  160   HG12  ILE  21          2HG1      ILE  21   0.639   7.923   1.975
  161   HG13  ILE  21          1HG1      ILE  21   1.274   9.213   2.987
  162   HG21  ILE  21          1HG2      ILE  21   0.063   9.544   0.386
  163   HG22  ILE  21          2HG2      ILE  21   0.239  11.056   1.279
  164   HG23  ILE  21          3HG2      ILE  21  -1.329  10.599   0.617
  165   HD11  ILE  21          3HD1      ILE  21  -0.774   7.192   3.864
  166   HD12  ILE  21          1HD1      ILE  21  -0.007   8.420   4.866
  167   HD13  ILE  21          2HD1      ILE  21   0.954   7.100   4.199
  168    H    ALA  22           H        ALA  22  -0.283  12.801   2.714
  169    HA   ALA  22           HA       ALA  22   2.326  12.688   3.910
  170    HB1  ALA  22           1HB      ALA  22   2.617  14.942   3.046
  171    HB2  ALA  22           2HB      ALA  22   0.897  15.037   2.670
  172    HB3  ALA  22           3HB      ALA  22   1.925  13.893   1.810
  173    H    ALA  23           H        ALA  23  -0.700  13.355   5.091
  174    HA   ALA  23           HA       ALA  23   0.241  15.241   7.137
  175    HB1  ALA  23           1HB      ALA  23  -2.119  15.668   7.582
  176    HB2  ALA  23           2HB      ALA  23  -2.577  14.440   6.403
  177    HB3  ALA  23           3HB      ALA  23  -1.757  15.910   5.872
  178    H    GLU  24           H        GLU  24  -1.531  14.712   9.149
  179    HA   GLU  24           HA       GLU  24  -1.024  11.908   9.842
  180    HB2  GLU  24           2HB      GLU  24   0.579  13.400  11.031
  181    HB3  GLU  24           1HB      GLU  24  -0.784  14.251  11.747
  182    HG2  GLU  24           2HG      GLU  24   0.189  12.648  13.300
  183    HG3  GLU  24           1HG      GLU  24  -1.476  12.230  12.896
  184    H    GLY  25           H        GLY  25  -2.649  10.896  10.950
  185    HA2  GLY  25           2HA      GLY  25  -4.843  10.817  11.918
  186    HA3  GLY  25           1HA      GLY  25  -5.157  12.412  11.241
  187    H    TYR  26           H        TYR  26  -3.488  10.239   9.251
  188    HA   TYR  26           HA       TYR  26  -5.384  10.364   7.196
  189    HB2  TYR  26           2HB      TYR  26  -2.873  10.080   7.012
  190    HB3  TYR  26           1HB      TYR  26  -3.127   8.401   7.464
  191    HD1  TYR  26           1HD      TYR  26  -5.205  10.462   5.231
  192    HD2  TYR  26           2HD      TYR  26  -2.474   7.256   5.603
  193    HE1  TYR  26           1HE      TYR  26  -5.571   9.889   2.855
  194    HE2  TYR  26           2HE      TYR  26  -2.818   6.662   3.246
  195    HH   TYR  26           HH       TYR  26  -4.409   6.972   1.491
  196    H    ALA  27           H        ALA  27  -4.858   8.155   9.812
  197    HA   ALA  27           HA       ALA  27  -6.208   5.900   8.755
  198    HB1  ALA  27           1HB      ALA  27  -4.715   5.783  10.703
  199    HB2  ALA  27           2HB      ALA  27  -6.307   5.106  11.047
  200    HB3  ALA  27           3HB      ALA  27  -5.885   6.711  11.642
  201    H    GLU  28           H        GLU  28  -7.313   8.938   9.621
  202    HA   GLU  28           HA       GLU  28 -10.035   7.974  10.102
  203    HB2  GLU  28           2HB      GLU  28  -8.686  10.615  10.603
  204    HB3  GLU  28           1HB      GLU  28 -10.436  10.475  10.584
  205    HG2  GLU  28           2HG      GLU  28  -9.600  10.389  12.849
  206    HG3  GLU  28           1HG      GLU  28 -10.331   8.850  12.404
  207    H    ASP  29           H        ASP  29  -8.146   8.756   7.529
  208    HA   ASP  29           HA       ASP  29  -9.947  10.344   5.983
  209    HB2  ASP  29           2HB      ASP  29  -7.598  10.215   5.300
  210    HB3  ASP  29           1HB      ASP  29  -7.737   8.469   5.102
  211    H    GLU  30           H        GLU  30 -11.861   9.730   5.347
  212    HA   GLU  30           HA       GLU  30 -12.920   7.174   5.793
  213    HB2  GLU  30           2HB      GLU  30 -14.223   9.302   5.684
  214    HB3  GLU  30           1HB      GLU  30 -13.979   9.318   3.944
  215    HG2  GLU  30           2HG      GLU  30 -15.161   7.175   3.778
  216    HG3  GLU  30           1HG      GLU  30 -15.447   7.217   5.517
  217    H    LEU  31           H        LEU  31 -11.733   8.775   2.896
  218    HA   LEU  31           HA       LEU  31 -12.496   6.826   1.053
  219    HB2  LEU  31           2HB      LEU  31 -11.691   9.077   0.460
  220    HB3  LEU  31           1HB      LEU  31 -10.076   8.618   0.969
  221    HG   LEU  31           HG       LEU  31 -10.284   6.736  -0.772
  222   HD11  LEU  31          1HD1      LEU  31 -11.740   7.286  -2.669
  223   HD12  LEU  31          2HD1      LEU  31 -12.448   8.599  -1.730
  224   HD13  LEU  31          3HD1      LEU  31 -12.655   6.929  -1.204
  225   HD21  LEU  31          3HD2      LEU  31  -9.420   8.176  -2.486
  226   HD22  LEU  31          1HD2      LEU  31  -8.803   8.672  -0.911
  227   HD23  LEU  31          2HD2      LEU  31 -10.095   9.595  -1.677
  228    H    LEU  32           H        LEU  32  -9.527   7.151   3.018
  229    HA   LEU  32           HA       LEU  32  -8.177   4.964   1.897
  230    HB2  LEU  32           2HB      LEU  32  -7.458   6.891   3.502
  231    HB3  LEU  32           1HB      LEU  32  -7.913   5.761   4.761
  232    HG   LEU  32           HG       LEU  32  -5.516   5.776   4.249
  233   HD11  LEU  32          1HD1      LEU  32  -6.944   3.209   3.661
  234   HD12  LEU  32          2HD1      LEU  32  -6.423   3.799   5.241
  235   HD13  LEU  32          3HD1      LEU  32  -5.225   3.341   4.030
  236   HD21  LEU  32          3HD2      LEU  32  -4.648   4.983   2.194
  237   HD22  LEU  32          1HD2      LEU  32  -5.841   6.226   1.816
  238   HD23  LEU  32          2HD2      LEU  32  -6.254   4.518   1.629
  239    H    LEU  33           H        LEU  33 -10.421   5.281   4.583
  240    HA   LEU  33           HA       LEU  33 -10.228   2.694   5.585
  241    HB2  LEU  33           2HB      LEU  33 -12.052   4.933   5.770
  242    HB3  LEU  33           1HB      LEU  33 -12.839   3.383   5.968
  243    HG   LEU  33           HG       LEU  33 -12.139   4.371   8.115
  244   HD11  LEU  33          1HD1      LEU  33 -12.298   1.942   7.888
  245   HD12  LEU  33          2HD1      LEU  33 -11.025   2.407   9.014
  246   HD13  LEU  33          3HD1      LEU  33 -10.610   1.881   7.383
  247   HD21  LEU  33          3HD2      LEU  33 -10.173   5.582   7.340
  248   HD22  LEU  33          1HD2      LEU  33  -9.351   4.056   7.007
  249   HD23  LEU  33          2HD2      LEU  33  -9.756   4.499   8.667
  250    H    ASN  34           H        ASN  34 -12.259   4.014   3.018
  251    HA   ASN  34           HA       ASN  34 -13.535   1.517   2.450
  252    HB2  ASN  34           2HB      ASN  34 -13.273   4.020   0.766
  253    HB3  ASN  34           1HB      ASN  34 -14.273   2.634   0.344
  254   HD21  ASN  34          1HD2      ASN  34 -13.897   5.379   2.401
  255   HD22  ASN  34          2HD2      ASN  34 -15.483   5.363   3.090
  256    H    GLN  35           H        GLN  35 -10.747   3.257   1.185
  257    HA   GLN  35           HA       GLN  35 -10.343   1.594  -1.087
  258    HB2  GLN  35           2HB      GLN  35  -8.757   3.669   0.348
  259    HB3  GLN  35           1HB      GLN  35  -7.971   2.694  -0.883
  260    HG2  GLN  35           2HG      GLN  35  -9.518   3.448  -2.546
  261    HG3  GLN  35           1HG      GLN  35 -10.485   4.281  -1.332
  262   HE21  GLN  35          1HE2      GLN  35  -8.271   5.317   0.135
  263   HE22  GLN  35          2HE2      GLN  35  -7.547   6.557  -0.823
  264    H    MET  36           H        MET  36  -8.591   1.826   2.034
  265    HA   MET  36           HA       MET  36  -7.129  -0.593   1.448
  266    HB2  MET  36           2HB      MET  36  -6.324   1.378   2.885
  267    HB3  MET  36           1HB      MET  36  -7.341   0.704   4.152
  268    HG2  MET  36           2HG      MET  36  -5.001   0.003   4.347
  269    HG3  MET  36           1HG      MET  36  -6.105  -1.357   4.119
  270    HE1  MET  36           3HE      MET  36  -2.852  -1.544   3.587
  271    HE2  MET  36           1HE      MET  36  -2.976  -2.635   2.210
  272    HE3  MET  36           2HE      MET  36  -4.050  -2.838   3.595
  273    H    GLY  37           H        GLY  37 -10.114   0.263   3.011
  274    HA2  GLY  37           2HA      GLY  37 -10.529  -2.094   4.500
  275    HA3  GLY  37           1HA      GLY  37 -11.795  -1.070   3.832
  276    H    LYS  38           H        LYS  38 -11.166  -1.292   1.126
  277    HA   LYS  38           HA       LYS  38 -12.227  -3.769   0.328
  278    HB2  LYS  38           2HB      LYS  38 -10.646  -1.657  -1.111
  279    HB3  LYS  38           1HB      LYS  38 -11.227  -3.096  -1.935
  280    HG2  LYS  38           2HG      LYS  38 -12.979  -1.095  -0.516
  281    HG3  LYS  38           1HG      LYS  38 -12.689  -1.136  -2.256
  282    HD2  LYS  38           2HD      LYS  38 -13.927  -3.365  -0.640
  283    HD3  LYS  38           1HD      LYS  38 -14.816  -2.212  -1.635
  284    HE2  LYS  38           2HE      LYS  38 -13.649  -3.012  -3.622
  285    HE3  LYS  38           1HE      LYS  38 -12.725  -4.143  -2.636
  286    HZ1  LYS  38           3HZ      LYS  38 -14.582  -5.221  -3.736
  287    HZ2  LYS  38           1HZ      LYS  38 -15.673  -4.174  -2.976
  288    HZ3  LYS  38           2HZ      LYS  38 -14.769  -5.270  -2.060
  289    H    VAL  39           H        VAL  39  -8.910  -2.519   0.056
  290    HA   VAL  39           HA       VAL  39  -7.882  -5.190  -0.449
  291    HB   VAL  39           HB       VAL  39  -6.443  -2.566  -0.113
  292   HG11  VAL  39          1HG1      VAL  39  -5.424  -5.203  -1.130
  293   HG12  VAL  39          2HG1      VAL  39  -4.955  -4.395   0.368
  294   HG13  VAL  39          3HG1      VAL  39  -4.540  -3.678  -1.188
  295   HG21  VAL  39          3HG2      VAL  39  -7.924  -2.536  -2.031
  296   HG22  VAL  39          1HG2      VAL  39  -7.227  -4.050  -2.610
  297   HG23  VAL  39          2HG2      VAL  39  -6.240  -2.589  -2.558
  298    H    ASN  40           H        ASN  40  -8.757  -5.898   1.730
  299    HA   ASN  40           HA       ASN  40  -6.638  -5.685   3.701
  300    HB2  ASN  40           2HB      ASN  40  -8.798  -3.925   3.853
  301    HB3  ASN  40           1HB      ASN  40  -9.148  -5.178   5.049
  302   HD21  ASN  40          1HD2      ASN  40  -5.977  -4.101   4.015
  303   HD22  ASN  40          2HD2      ASN  40  -5.493  -3.470   5.549
  304    H    ASP  41           H        ASP  41  -9.668  -7.093   2.681
  305    HA   ASP  41           HA       ASP  41  -9.768  -8.780   5.043
  306    HB2  ASP  41           2HB      ASP  41 -11.602  -8.378   2.703
  307    HB3  ASP  41           1HB      ASP  41 -11.798  -9.783   3.745
  308    H    THR  42           H        THR  42  -9.068  -9.117   1.627
  309    HA   THR  42           HA       THR  42  -7.942 -11.763   2.221
  310    HB   THR  42           HB       THR  42  -9.435 -11.135  -0.333
  311    HG1  THR  42           1HG      THR  42 -10.362 -11.807   2.164
  312   HG21  THR  42          3HG2      THR  42  -8.581 -13.754   0.905
  313   HG22  THR  42          1HG2      THR  42  -7.780 -12.957  -0.448
  314   HG23  THR  42          2HG2      THR  42  -9.430 -13.552  -0.628
  315    HA   PRO  43           HA       PRO  43  -4.898  -9.354  -0.287
  316    HB2  PRO  43           2HB      PRO  43  -3.282  -8.330   1.506
  317    HB3  PRO  43           1HB      PRO  43  -4.906  -7.646   1.332
  318    HG2  PRO  43           2HG      PRO  43  -3.869  -9.567   3.387
  319    HG3  PRO  43           1HG      PRO  43  -4.909  -8.151   3.620
  320    HD2  PRO  43           2HD      PRO  43  -5.761 -10.799   3.363
  321    HD3  PRO  43           1HD      PRO  43  -6.794  -9.369   3.178
  322    H    GLU  44           H        GLU  44  -4.937 -12.058   1.581
  323    HA   GLU  44           HA       GLU  44  -3.703 -13.937   1.717
  324    HB2  GLU  44           2HB      GLU  44  -3.099 -13.629  -0.627
  325    HB3  GLU  44           1HB      GLU  44  -1.768 -12.577  -0.159
  326    HG2  GLU  44           2HG      GLU  44  -0.651 -14.394   0.943
  327    HG3  GLU  44           1HG      GLU  44  -2.023 -15.461   0.659
  328    H    GLU  45           H        GLU  45  -1.846 -10.960   2.070
  329    HA   GLU  45           HA       GLU  45   0.242 -12.033   3.640
  330    HB2  GLU  45           2HB      GLU  45  -0.112  -9.682   2.453
  331    HB3  GLU  45           1HB      GLU  45  -0.689  -9.223   4.045
  332    HG2  GLU  45           2HG      GLU  45   1.997 -10.478   3.576
  333    HG3  GLU  45           1HG      GLU  45   1.721  -8.741   3.540
  334    H    GLU  46           H        GLU  46  -2.059  -9.683   4.924
  335    HA   GLU  46           HA       GLU  46  -2.798 -11.475   7.096
  336    HB2  GLU  46           2HB      GLU  46  -1.314  -8.888   7.420
  337    HB3  GLU  46           1HB      GLU  46  -2.453  -9.399   8.655
  338    HG2  GLU  46           2HG      GLU  46  -0.172 -11.102   7.697
  339    HG3  GLU  46           1HG      GLU  46  -0.064 -10.003   9.071
  340    H    GLY  47           H        GLY  47  -3.132  -7.976   6.872
  341    HA2  GLY  47           2HA      GLY  47  -5.391  -7.572   5.481
  342    HA3  GLY  47           1HA      GLY  47  -6.008  -8.223   6.987
  343    H    MET  48           H        MET  48  -6.429  -6.852   8.556
  344    HA   MET  48           HA       MET  48  -6.138  -4.098   8.221
  345    HB2  MET  48           2HB      MET  48  -7.796  -5.305   9.714
  346    HB3  MET  48           1HB      MET  48  -6.495  -5.425  10.894
  347    HG2  MET  48           2HG      MET  48  -6.384  -2.791  10.311
  348    HG3  MET  48           1HG      MET  48  -8.102  -3.104  10.088
  349    HE1  MET  48           3HE      MET  48  -5.104  -2.940  12.523
  350    HE2  MET  48           1HE      MET  48  -5.456  -4.668  12.601
  351    HE3  MET  48           2HE      MET  48  -5.747  -3.645  14.007
  352    HA   PRO  49           HA       PRO  49  -2.278  -4.471  11.250
  353    HB2  PRO  49           2HB      PRO  49  -1.292  -7.080  10.222
  354    HB3  PRO  49           1HB      PRO  49  -1.225  -6.419  11.860
  355    HG2  PRO  49           2HG      PRO  49  -2.947  -8.348  11.266
  356    HG3  PRO  49           1HG      PRO  49  -3.422  -7.010  12.326
  357    HD2  PRO  49           2HD      PRO  49  -4.048  -7.457   9.432
  358    HD3  PRO  49           1HD      PRO  49  -5.103  -6.877  10.739
  359    H    LEU  50           H        LEU  50  -2.203  -6.202   8.128
  360    HA   LEU  50           HA       LEU  50   0.201  -5.076   7.257
  361    HB2  LEU  50           2HB      LEU  50  -0.084  -6.193   5.315
  362    HB3  LEU  50           1HB      LEU  50  -1.238  -7.064   6.294
  363    HG   LEU  50           HG       LEU  50  -3.012  -5.524   5.271
  364   HD11  LEU  50          1HD1      LEU  50  -2.474  -4.693   3.045
  365   HD12  LEU  50          2HD1      LEU  50  -0.788  -5.165   3.264
  366   HD13  LEU  50          3HD1      LEU  50  -1.483  -3.888   4.265
  367   HD21  LEU  50          3HD2      LEU  50  -2.732  -7.892   4.804
  368   HD22  LEU  50          1HD2      LEU  50  -1.526  -7.506   3.576
  369   HD23  LEU  50          2HD2      LEU  50  -3.198  -6.992   3.361
  370    H    ARG  51           H        ARG  51  -3.124  -3.955   6.961
  371    HA   ARG  51           HA       ARG  51  -2.734  -1.650   5.475
  372    HB2  ARG  51           2HB      ARG  51  -4.950  -1.952   5.902
  373    HB3  ARG  51           1HB      ARG  51  -4.677  -2.530   7.538
  374    HG2  ARG  51           2HG      ARG  51  -4.219  -0.168   8.206
  375    HG3  ARG  51           1HG      ARG  51  -4.706   0.325   6.584
  376    HD2  ARG  51           2HD      ARG  51  -6.921  -0.492   6.917
  377    HD3  ARG  51           1HD      ARG  51  -6.465  -1.287   8.423
  378    HE   ARG  51           HE       ARG  51  -5.943   1.466   8.645
  379   HH11  ARG  51          1HH1      ARG  51  -8.671  -0.732   8.469
  380   HH12  ARG  51          2HH1      ARG  51  -9.708   0.291   9.412
  381   HH21  ARG  51          1HH2      ARG  51  -7.314   2.804   9.876
  382   HH22  ARG  51          2HH2      ARG  51  -8.940   2.296  10.208
  383    H    ALA  52           H        ALA  52  -2.430  -2.053   8.989
  384    HA   ALA  52           HA       ALA  52  -1.814   0.580   9.620
  385    HB1  ALA  52           1HB      ALA  52  -2.450  -1.127  11.268
  386    HB2  ALA  52           2HB      ALA  52  -0.964  -0.288  11.722
  387    HB3  ALA  52           3HB      ALA  52  -0.887  -1.912  11.040
  388    H    TRP  53           H        TRP  53   0.425  -2.136   8.919
  389    HA   TRP  53           HA       TRP  53   2.708  -0.463   9.271
  390    HB2  TRP  53           2HB      TRP  53   4.047  -2.308   8.837
  391    HB3  TRP  53           1HB      TRP  53   2.596  -3.026   9.503
  392    HD1  TRP  53           HD       TRP  53   1.705  -5.047   8.248
  393    HE1  TRP  53           1HE      TRP  53   2.071  -6.088   5.905
  394    HE3  TRP  53           3HE      TRP  53   4.619  -1.421   6.147
  395    HZ2  TRP  53           2HZ      TRP  53   3.425  -5.485   3.558
  396    HZ3  TRP  53           3HZ      TRP  53   5.451  -1.752   3.857
  397    HH2  TRP  53           HH       TRP  53   4.858  -3.750   2.589
  398    H    VAL  54           H        VAL  54   0.859  -1.542   6.508
  399    HA   VAL  54           HA       VAL  54   2.544  -0.581   4.486
  400    HB   VAL  54           HB       VAL  54  -0.254  -1.430   4.724
  401   HG11  VAL  54          1HG1      VAL  54   0.667   0.220   2.366
  402   HG12  VAL  54          2HG1      VAL  54  -0.627   0.631   3.490
  403   HG13  VAL  54          3HG1      VAL  54  -0.810  -0.744   2.403
  404   HG21  VAL  54          3HG2      VAL  54   1.926  -2.016   2.743
  405   HG22  VAL  54          1HG2      VAL  54   0.354  -2.814   2.795
  406   HG23  VAL  54          2HG2      VAL  54   1.481  -2.995   4.141
  407    H    ILE  55           H        ILE  55  -0.328   0.941   5.985
  408    HA   ILE  55           HA       ILE  55  -0.104   3.397   4.662
  409    HB   ILE  55           HB       ILE  55  -1.264   2.732   7.367
  410   HG12  ILE  55          2HG1      ILE  55  -2.628   3.359   4.747
  411   HG13  ILE  55          1HG1      ILE  55  -2.305   1.727   5.328
  412   HG21  ILE  55          1HG2      ILE  55  -1.505   5.319   5.837
  413   HG22  ILE  55          2HG2      ILE  55  -0.664   5.078   7.369
  414   HG23  ILE  55          3HG2      ILE  55  -2.414   4.884   7.287
  415   HD11  ILE  55          3HD1      ILE  55  -4.590   2.372   5.759
  416   HD12  ILE  55          1HD1      ILE  55  -4.043   3.783   6.664
  417   HD13  ILE  55          2HD1      ILE  55  -3.714   2.162   7.276
  418    H    LYS  56           H        LYS  56   1.449   2.182   7.587
  419    HA   LYS  56           HA       LYS  56   2.652   4.622   8.364
  420    HB2  LYS  56           2HB      LYS  56   2.373   2.567   9.790
  421    HB3  LYS  56           1HB      LYS  56   3.689   1.836   8.889
  422    HG2  LYS  56           2HG      LYS  56   4.577   2.657  10.932
  423    HG3  LYS  56           1HG      LYS  56   5.152   3.710   9.641
  424    HD2  LYS  56           2HD      LYS  56   2.628   4.535  10.917
  425    HD3  LYS  56           1HD      LYS  56   4.052   4.589  11.953
  426    HE2  LYS  56           2HE      LYS  56   3.859   5.893   9.241
  427    HE3  LYS  56           1HE      LYS  56   3.585   6.724  10.769
  428    HZ1  LYS  56           3HZ      LYS  56   6.120   5.420   9.915
  429    HZ2  LYS  56           1HZ      LYS  56   5.862   6.167  11.416
  430    HZ3  LYS  56           2HZ      LYS  56   5.824   7.088   9.997
  431    H    CYS  57           H        CYS  57   3.889   1.866   6.468
  432    HA   CYS  57           HA       CYS  57   6.445   3.036   6.033
  433    HB2  CYS  57           2HB      CYS  57   5.028   0.765   4.639
  434    HB3  CYS  57           1HB      CYS  57   6.694   1.232   4.309
  435    HG   CYS  57           HG       CYS  57   5.897   0.573   7.527
  436    H    ALA  58           H        ALA  58   3.485   2.869   4.069
  437    HA   ALA  58           HA       ALA  58   4.526   4.118   1.768
  438    HB1  ALA  58           1HB      ALA  58   2.194   4.623   1.201
  439    HB2  ALA  58           2HB      ALA  58   1.701   4.186   2.837
  440    HB3  ALA  58           3HB      ALA  58   2.376   2.961   1.763
  441    H    HIS  59           H        HIS  59   3.078   5.331   4.717
  442    HA   HIS  59           HA       HIS  59   2.956   8.069   4.247
  443    HB2  HIS  59           2HB      HIS  59   2.240   6.583   6.278
  444    HB3  HIS  59           1HB      HIS  59   3.859   6.907   6.873
  445    HD1  HIS  59           1HD      HIS  59   1.122   7.797   8.189
  446    HD2  HIS  59           2HD      HIS  59   3.693  10.201   5.985
  447    HE1  HIS  59           1HE      HIS  59   0.672  10.143   8.956
  448    HE2  HIS  59           2HE      HIS  59   2.126  11.591   7.505
  449    H    GLU  60           H        GLU  60   5.569   6.178   5.720
  450    HA   GLU  60           HA       GLU  60   7.410   8.286   5.958
  451    HB2  GLU  60           2HB      GLU  60   7.795   5.294   5.844
  452    HB3  GLU  60           1HB      GLU  60   9.087   6.427   6.220
  453    HG2  GLU  60           2HG      GLU  60   8.022   7.125   8.212
  454    HG3  GLU  60           1HG      GLU  60   6.525   6.299   7.781
  455    H    ALA  61           H        ALA  61   6.850   5.928   3.394
  456    HA   ALA  61           HA       ALA  61   9.113   6.478   1.825
  457    HB1  ALA  61           1HB      ALA  61   7.900   5.436  -0.010
  458    HB2  ALA  61           2HB      ALA  61   6.388   5.580   0.885
  459    HB3  ALA  61           3HB      ALA  61   7.666   4.520   1.479
  460    H    LEU  62           H        LEU  62   5.872   7.904   1.828
  461    HA   LEU  62           HA       LEU  62   6.320   9.591  -0.403
  462    HB2  LEU  62           2HB      LEU  62   4.078   8.986   0.385
  463    HB3  LEU  62           1HB      LEU  62   4.345   9.911   1.852
  464    HG   LEU  62           HG       LEU  62   4.746  11.901   0.210
  465   HD11  LEU  62          1HD1      LEU  62   3.045  10.093  -1.495
  466   HD12  LEU  62          2HD1      LEU  62   4.729  10.513  -1.820
  467   HD13  LEU  62          3HD1      LEU  62   3.486  11.765  -1.846
  468   HD21  LEU  62          3HD2      LEU  62   2.933  11.808   1.798
  469   HD22  LEU  62          1HD2      LEU  62   2.026  10.738   0.730
  470   HD23  LEU  62          2HD2      LEU  62   2.346  12.402   0.244
  471    H    GLU  63           H        GLU  63   6.493  10.167   3.113
  472    HA   GLU  63           HA       GLU  63   7.093  12.923   2.887
  473    HB2  GLU  63           2HB      GLU  63   7.832  11.035   5.130
  474    HB3  GLU  63           1HB      GLU  63   7.811  12.788   5.225
  475    HG2  GLU  63           2HG      GLU  63   5.361  12.726   4.795
  476    HG3  GLU  63           1HG      GLU  63   5.449  10.962   4.859
  477    H    LYS  64           H        LYS  64   9.047  10.065   2.660
  478    HA   LYS  64           HA       LYS  64  11.590  11.211   3.112
  479    HB2  LYS  64           2HB      LYS  64  10.873   8.727   3.003
  480    HB3  LYS  64           1HB      LYS  64  11.051   8.888   1.265
  481    HG2  LYS  64           2HG      LYS  64  13.285   9.535   3.162
  482    HG3  LYS  64           1HG      LYS  64  12.999   7.902   2.560
  483    HD2  LYS  64           2HD      LYS  64  13.223   8.732   0.260
  484    HD3  LYS  64           1HD      LYS  64  13.549  10.349   0.886
  485    HE2  LYS  64           2HE      LYS  64  15.519   9.438   2.079
  486    HE3  LYS  64           1HE      LYS  64  15.212   7.874   1.328
  487    HZ1  LYS  64           3HZ      LYS  64  15.800  10.396  -0.126
  488    HZ2  LYS  64           1HZ      LYS  64  15.529   8.884  -0.838
  489    HZ3  LYS  64           2HZ      LYS  64  16.893   9.133   0.130
  490    H    ASN  65           H        ASN  65   9.511  10.976   0.321
  491    HA   ASN  65           HA       ASN  65  11.077  12.967  -1.065
  492    HB2  ASN  65           2HB      ASN  65  10.939  11.525  -3.211
  493    HB3  ASN  65           1HB      ASN  65  12.203  11.160  -2.044
  494   HD21  ASN  65          1HD2      ASN  65   9.070  10.182  -3.239
  495   HD22  ASN  65          2HD2      ASN  65   9.178   8.529  -2.752
  496    HA   PRO  66           HA       PRO  66   6.484  13.196  -1.182
  497    HB2  PRO  66           2HB      PRO  66   6.202  15.725  -0.353
  498    HB3  PRO  66           1HB      PRO  66   6.620  14.429   0.770
  499    HG2  PRO  66           2HG      PRO  66   8.407  16.453  -0.530
  500    HG3  PRO  66           1HG      PRO  66   8.380  15.905   1.157
  501    HD2  PRO  66           2HD      PRO  66  10.140  14.962  -0.713
  502    HD3  PRO  66           1HD      PRO  66   9.609  14.027   0.695
  503    H    LYS  67           H        LYS  67   7.930  13.315  -3.547
  504    HA   LYS  67           HA       LYS  67   6.348  15.264  -5.040
  505    HB2  LYS  67           2HB      LYS  67   9.344  14.951  -5.352
  506    HB3  LYS  67           1HB      LYS  67   8.314  15.857  -6.452
  507    HG2  LYS  67           2HG      LYS  67   7.700  17.355  -4.601
  508    HG3  LYS  67           1HG      LYS  67   8.796  16.467  -3.544
  509    HD2  LYS  67           2HD      LYS  67   9.575  17.976  -6.036
  510    HD3  LYS  67           1HD      LYS  67   9.817  18.525  -4.382
  511    HE2  LYS  67           2HE      LYS  67  11.871  17.637  -4.718
  512    HE3  LYS  67           1HE      LYS  67  11.048  16.159  -4.222
  513    HZ1  LYS  67           3HZ      LYS  67  11.522  17.041  -7.019
  514    HZ2  LYS  67           1HZ      LYS  67  10.705  15.631  -6.568
  515    HZ3  LYS  67           2HZ      LYS  67  12.347  15.804  -6.215
  516    H    ILE  68           H        ILE  68   6.108  12.481  -4.605
  517    HA   ILE  68           HA       ILE  68   6.780  11.346  -7.233
  518    HB   ILE  68           HB       ILE  68   6.340   9.137  -6.123
  519   HG12  ILE  68          2HG1      ILE  68   6.466  10.782  -3.581
  520   HG13  ILE  68          1HG1      ILE  68   5.003  10.054  -4.234
  521   HG21  ILE  68          1HG2      ILE  68   8.578   9.889  -6.540
  522   HG22  ILE  68          2HG2      ILE  68   8.518   9.103  -4.961
  523   HG23  ILE  68          3HG2      ILE  68   8.561  10.865  -5.072
  524   HD11  ILE  68          3HD1      ILE  68   5.990   7.841  -3.962
  525   HD12  ILE  68          1HD1      ILE  68   5.907   8.721  -2.437
  526   HD13  ILE  68          2HD1      ILE  68   7.444   8.579  -3.288
  527    H    ARG  69           H        ARG  69   5.013   9.221  -7.217
  528    HA   ARG  69           HA       ARG  69   2.354  10.416  -7.021
  529    HB2  ARG  69           2HB      ARG  69   1.775   9.956  -9.318
  530    HB3  ARG  69           1HB      ARG  69   3.202  10.983  -9.287
  531    HG2  ARG  69           2HG      ARG  69   4.623   9.157  -9.833
  532    HG3  ARG  69           1HG      ARG  69   3.314   7.997  -9.615
  533    HD2  ARG  69           2HD      ARG  69   2.116   9.116 -11.495
  534    HD3  ARG  69           1HD      ARG  69   3.557  10.097 -11.760
  535    HE   ARG  69           HE       ARG  69   4.565   7.619 -11.854
  536   HH11  ARG  69          1HH1      ARG  69   1.768   9.037 -13.411
  537   HH12  ARG  69          2HH1      ARG  69   1.828   7.970 -14.778
  538   HH21  ARG  69          1HH2      ARG  69   4.655   6.213 -13.641
  539   HH22  ARG  69          2HH2      ARG  69   3.485   6.366 -14.914
  540    H    GLU  70           H        GLU  70   4.418   7.661  -7.126
  541    HA   GLU  70           HA       GLU  70   2.393   5.979  -6.046
  542    HB2  GLU  70           2HB      GLU  70   1.526   5.537  -8.094
  543    HB3  GLU  70           1HB      GLU  70   3.015   5.949  -8.938
  544    HG2  GLU  70           2HG      GLU  70   3.872   3.713  -7.890
  545    HG3  GLU  70           1HG      GLU  70   2.148   3.347  -7.797
  546    H    VAL  71           H        VAL  71   3.250   4.031  -5.191
  547    HA   VAL  71           HA       VAL  71   6.110   3.517  -5.587
  548    HB   VAL  71           HB       VAL  71   6.419   3.092  -3.160
  549   HG11  VAL  71          1HG1      VAL  71   7.248   5.149  -4.073
  550   HG12  VAL  71          2HG1      VAL  71   6.560   5.468  -2.480
  551   HG13  VAL  71          3HG1      VAL  71   5.660   5.897  -3.935
  552   HG21  VAL  71          3HG2      VAL  71   4.149   2.751  -2.456
  553   HG22  VAL  71          1HG2      VAL  71   3.713   4.397  -2.920
  554   HG23  VAL  71          2HG2      VAL  71   4.818   4.122  -1.574
  555    H    TYR  72           H        TYR  72   6.758   1.371  -4.907
  556    HA   TYR  72           HA       TYR  72   4.512  -0.543  -4.924
  557    HB2  TYR  72           2HB      TYR  72   7.287  -1.247  -5.849
  558    HB3  TYR  72           1HB      TYR  72   5.753  -1.994  -6.285
  559    HD1  TYR  72           1HD      TYR  72   4.159  -0.654  -7.770
  560    HD2  TYR  72           2HD      TYR  72   8.238   0.408  -7.202
  561    HE1  TYR  72           1HE      TYR  72   4.076   0.732  -9.797
  562    HE2  TYR  72           2HE      TYR  72   8.167   1.793  -9.232
  563    HH   TYR  72           HH       TYR  72   5.274   2.702 -10.725
  564    H    LEU  73           H        LEU  73   4.290  -1.446  -2.947
  565    HA   LEU  73           HA       LEU  73   6.740  -1.796  -1.367
  566    HB2  LEU  73           2HB      LEU  73   5.481  -1.559   0.644
  567    HB3  LEU  73           1HB      LEU  73   5.104  -0.222  -0.404
  568    HG   LEU  73           HG       LEU  73   2.974  -1.544  -1.003
  569   HD11  LEU  73          1HD1      LEU  73   3.934  -3.597   0.177
  570   HD12  LEU  73          2HD1      LEU  73   2.250  -3.175   0.508
  571   HD13  LEU  73          3HD1      LEU  73   3.504  -2.760   1.669
  572   HD21  LEU  73          3HD2      LEU  73   1.805  -0.582   0.851
  573   HD22  LEU  73          1HD2      LEU  73   3.111   0.518   0.408
  574   HD23  LEU  73          2HD2      LEU  73   3.277  -0.534   1.820
  575    H    LYS  74           H        LYS  74   7.306  -3.722  -0.592
  576    HA   LYS  74           HA       LYS  74   5.609  -6.011  -1.335
  577    HB2  LYS  74           2HB      LYS  74   7.830  -5.855  -2.457
  578    HB3  LYS  74           1HB      LYS  74   8.605  -5.888  -0.885
  579    HG2  LYS  74           2HG      LYS  74   6.818  -8.138  -1.689
  580    HG3  LYS  74           1HG      LYS  74   8.457  -8.043  -2.334
  581    HD2  LYS  74           2HD      LYS  74   9.318  -7.918  -0.017
  582    HD3  LYS  74           1HD      LYS  74   7.670  -8.122   0.577
  583    HE2  LYS  74           2HE      LYS  74   7.520 -10.298  -0.430
  584    HE3  LYS  74           1HE      LYS  74   9.096 -10.091  -1.198
  585    HZ1  LYS  74           3HZ      LYS  74   9.339 -11.431   0.756
  586    HZ2  LYS  74           1HZ      LYS  74   8.565 -10.273   1.718
  587    HZ3  LYS  74           2HZ      LYS  74  10.076  -9.939   1.040
  588    HA   PRO  75           HA       PRO  75   4.978  -6.177   2.966
  589    HB2  PRO  75           2HB      PRO  75   3.556  -8.426   3.203
  590    HB3  PRO  75           1HB      PRO  75   2.921  -7.011   2.354
  591    HG2  PRO  75           2HG      PRO  75   4.138  -9.498   1.247
  592    HG3  PRO  75           1HG      PRO  75   2.710  -8.614   0.684
  593    HD2  PRO  75           2HD      PRO  75   5.198  -8.389  -0.455
  594    HD3  PRO  75           1HD      PRO  75   3.962  -7.117  -0.511
  595    H    ARG  76           H        ARG  76   5.222  -7.409   4.890
  596    HA   ARG  76           HA       ARG  76   7.898  -8.248   5.155
  597    HB2  ARG  76           2HB      ARG  76   5.700  -8.639   7.180
  598    HB3  ARG  76           1HB      ARG  76   7.416  -8.427   7.487
  599    HG2  ARG  76           2HG      ARG  76   7.352  -6.145   6.930
  600    HG3  ARG  76           1HG      ARG  76   5.764  -6.289   6.178
  601    HD2  ARG  76           2HD      ARG  76   5.440  -5.223   8.268
  602    HD3  ARG  76           1HD      ARG  76   4.857  -6.876   8.443
  603    HE   ARG  76           HE       ARG  76   7.578  -6.607   9.264
  604   HH11  ARG  76          1HH1      ARG  76   4.265  -6.126  10.266
  605   HH12  ARG  76          2HH1      ARG  76   4.628  -6.184  11.959
  606   HH21  ARG  76          1HH2      ARG  76   8.073  -6.666  11.491
  607   HH22  ARG  76          2HH2      ARG  76   6.799  -6.478  12.659
  608    H    ALA  77           H        ALA  77   5.082  -9.970   4.369
  609    HA   ALA  77           HA       ALA  77   5.821 -12.528   5.345
  610    HB1  ALA  77           1HB      ALA  77   4.006 -11.786   3.051
  611    HB2  ALA  77           2HB      ALA  77   3.519 -11.997   4.734
  612    HB3  ALA  77           3HB      ALA  77   4.115 -13.376   3.809
  613    H    VAL  78           H        VAL  78   7.972 -12.802   4.824
  614    HA   VAL  78           HA       VAL  78   9.109 -12.419   2.286
  615    HB   VAL  78           HB       VAL  78  10.994 -13.794   3.092
  616   HG11  VAL  78          1HG1      VAL  78  11.618 -12.350   4.966
  617   HG12  VAL  78          2HG1      VAL  78   9.943 -11.823   5.120
  618   HG13  VAL  78          3HG1      VAL  78  10.861 -11.425   3.670
  619   HG21  VAL  78          3HG2      VAL  78   9.262 -14.248   5.523
  620   HG22  VAL  78          1HG2      VAL  78  10.961 -14.693   5.373
  621   HG23  VAL  78          2HG2      VAL  78   9.753 -15.473   4.353
  622    H    LYS  79           H        LYS  79   7.438 -15.150   3.690
  623    HA   LYS  79           HA       LYS  79   8.303 -17.086   1.803
  624    HB2  LYS  79           2HB      LYS  79   7.441 -17.701   4.012
  625    HB3  LYS  79           1HB      LYS  79   5.862 -17.060   3.588
  626    HG2  LYS  79           2HG      LYS  79   5.887 -19.482   3.444
  627    HG3  LYS  79           1HG      LYS  79   5.631 -18.763   1.854
  628    HD2  LYS  79           2HD      LYS  79   7.993 -19.103   1.318
  629    HD3  LYS  79           1HD      LYS  79   8.254 -19.814   2.910
  630    HE2  LYS  79           2HE      LYS  79   6.726 -21.623   2.379
  631    HE3  LYS  79           1HE      LYS  79   6.370 -20.891   0.815
  632    HZ1  LYS  79           3HZ      LYS  79   8.669 -21.216   0.175
  633    HZ2  LYS  79           1HZ      LYS  79   7.971 -22.690   0.620
  634    HZ3  LYS  79           2HZ      LYS  79   9.025 -21.900   1.678
  635    H    ASN  80           H        ASN  80   5.766 -14.701   1.820
  636    HA   ASN  80           HA       ASN  80   4.152 -15.821  -0.213
  637    HB2  ASN  80           2HB      ASN  80   4.542 -12.975   0.708
  638    HB3  ASN  80           1HB      ASN  80   3.439 -13.408  -0.584
  639   HD21  ASN  80          1HD2      ASN  80   1.694 -12.644   0.526
  640   HD22  ASN  80          2HD2      ASN  80   1.011 -13.488   1.864
  641    H    SER  81           H        SER  81   6.894 -13.640  -0.247
  642    HA   SER  81           HA       SER  81   8.413 -13.066  -1.800
  643    HB2  SER  81           2HB      SER  81   7.395 -15.534  -3.211
  644    HB3  SER  81           1HB      SER  81   8.872 -14.665  -3.628
  645    HG   SER  81           HG       SER  81   8.764 -15.252  -0.975
  646    H    SER  82           H        SER  82   5.867 -14.307  -3.991
  647    HA   SER  82           HA       SER  82   6.553 -12.187  -5.825
  648    HB2  SER  82           2HB      SER  82   4.546 -14.420  -6.157
  649    HB3  SER  82           1HB      SER  82   5.246 -13.427  -7.435
  650    HG   SER  82           HG       SER  82   6.188 -15.616  -6.971
  651    H    VAL  83           H        VAL  83   5.083 -11.355  -3.425
  652    HA   VAL  83           HA       VAL  83   2.636 -10.335  -4.734
  653    HB   VAL  83           HB       VAL  83   2.882  -9.741  -1.886
  654   HG11  VAL  83          1HG1      VAL  83   0.867  -9.321  -3.167
  655   HG12  VAL  83          2HG1      VAL  83   0.553 -10.464  -1.862
  656   HG13  VAL  83          3HG1      VAL  83   0.713 -11.042  -3.521
  657   HG21  VAL  83          3HG2      VAL  83   2.286 -11.985  -1.115
  658   HG22  VAL  83          1HG2      VAL  83   3.925 -11.862  -1.761
  659   HG23  VAL  83          2HG2      VAL  83   2.650 -12.604  -2.731
  660    H    GLN  84           H        GLN  84   2.609  -8.240  -5.229
  661    HA   GLN  84           HA       GLN  84   4.254  -6.495  -3.562
  662    HB2  GLN  84           2HB      GLN  84   4.034  -6.487  -6.563
  663    HB3  GLN  84           1HB      GLN  84   4.375  -4.996  -5.702
  664    HG2  GLN  84           2HG      GLN  84   6.492  -5.645  -6.160
  665    HG3  GLN  84           1HG      GLN  84   6.280  -6.472  -4.623
  666   HE21  GLN  84          1HE2      GLN  84   6.230  -8.690  -4.572
  667   HE22  GLN  84          2HE2      GLN  84   6.590  -9.670  -5.949
  668    H    PHE  85           H        PHE  85   3.267  -4.648  -2.879
  669    HA   PHE  85           HA       PHE  85   0.476  -4.280  -3.674
  670    HB2  PHE  85           2HB      PHE  85   2.092  -3.215  -1.361
  671    HB3  PHE  85           1HB      PHE  85   0.513  -2.562  -1.787
  672    HD1  PHE  85           2HD      PHE  85   2.294  -5.454  -0.406
  673    HD2  PHE  85           1HD      PHE  85  -1.503  -3.811  -1.404
  674    HE1  PHE  85           2HE      PHE  85   1.189  -7.173   0.966
  675    HE2  PHE  85           1HE      PHE  85  -2.610  -5.522  -0.032
  676    HZ   PHE  85           HZ       PHE  85  -1.266  -7.206   1.163
  677    H    HIS  86           H        HIS  86  -0.007  -2.847  -5.085
  678    HA   HIS  86           HA       HIS  86   2.010  -0.950  -6.006
  679    HB2  HIS  86           2HB      HIS  86   0.397  -2.570  -7.385
  680    HB3  HIS  86           1HB      HIS  86  -0.707  -1.213  -7.219
  681    HD1  HIS  86           1HD      HIS  86   1.298  -2.518  -9.642
  682    HD2  HIS  86           2HD      HIS  86   1.080   1.285  -7.982
  683    HE1  HIS  86           1HE      HIS  86   2.272  -0.964 -11.372
  684    HE2  HIS  86           2HE      HIS  86   1.956   1.354 -10.409
  685    H    VAL  87           H        VAL  87   1.988   0.812  -4.638
  686    HA   VAL  87           HA       VAL  87  -0.624   1.838  -3.799
  687    HB   VAL  87           HB       VAL  87   2.149   2.493  -2.798
  688   HG11  VAL  87          1HG1      VAL  87   0.720   4.468  -2.685
  689   HG12  VAL  87          2HG1      VAL  87   1.044   3.829  -1.074
  690   HG13  VAL  87          3HG1      VAL  87  -0.515   3.531  -1.843
  691   HG21  VAL  87          3HG2      VAL  87   1.358   0.308  -2.097
  692   HG22  VAL  87          1HG2      VAL  87  -0.149   1.023  -1.524
  693   HG23  VAL  87          2HG2      VAL  87   1.373   1.422  -0.731
  694    H    ILE  88           H        ILE  88  -1.478   3.258  -5.099
  695    HA   ILE  88           HA       ILE  88   0.256   5.099  -6.570
  696    HB   ILE  88           HB       ILE  88  -2.656   4.391  -6.911
  697   HG12  ILE  88          2HG1      ILE  88  -1.670   3.889  -9.285
  698   HG13  ILE  88          1HG1      ILE  88  -0.138   3.815  -8.419
  699   HG21  ILE  88          1HG2      ILE  88  -2.689   5.902  -8.836
  700   HG22  ILE  88          2HG2      ILE  88  -1.068   6.454  -8.419
  701   HG23  ILE  88          3HG2      ILE  88  -2.414   6.762  -7.323
  702   HD11  ILE  88          3HD1      ILE  88  -1.064   2.070  -6.974
  703   HD12  ILE  88          1HD1      ILE  88  -1.101   1.610  -8.675
  704   HD13  ILE  88          2HD1      ILE  88  -2.579   2.141  -7.874
  705    H    PHE  89           H        PHE  89   0.115   7.285  -6.308
  706    HA   PHE  89           HA       PHE  89  -1.293   8.128  -3.890
  707    HB2  PHE  89           2HB      PHE  89   1.094   9.223  -5.357
  708    HB3  PHE  89           1HB      PHE  89   0.248  10.146  -4.135
  709    HD1  PHE  89           2HD      PHE  89  -0.097   9.062  -1.864
  710    HD2  PHE  89           1HD      PHE  89   2.727   7.689  -4.729
  711    HE1  PHE  89           2HE      PHE  89   1.098   7.850  -0.096
  712    HE2  PHE  89           1HE      PHE  89   3.924   6.468  -2.962
  713    HZ   PHE  89           HZ       PHE  89   3.092   6.550  -0.652
  714    H    ASP  90           H        ASP  90  -3.238   8.900  -4.333
  715    HA   ASP  90           HA       ASP  90  -3.870   9.989  -6.934
  716    HB2  ASP  90           2HB      ASP  90  -5.449   9.150  -4.541
  717    HB3  ASP  90           1HB      ASP  90  -6.190  10.240  -5.706
  718    H    GLU  91           H        GLU  91  -4.264  12.046  -7.440
  719    HA   GLU  91           HA       GLU  91  -4.101  14.020  -5.276
  720    HB2  GLU  91           2HB      GLU  91  -3.568  15.631  -7.191
  721    HB3  GLU  91           1HB      GLU  91  -2.323  14.477  -6.740
  722    HG2  GLU  91           2HG      GLU  91  -2.924  13.067  -8.626
  723    HG3  GLU  91           1HG      GLU  91  -4.210  14.189  -9.066
  724    H    GLU  92           H        GLU  92  -5.836  15.150  -4.799
  725    HA   GLU  92           HA       GLU  92  -8.046  15.214  -6.742
  726    HB2  GLU  92           2HB      GLU  92  -8.296  15.161  -3.726
  727    HB3  GLU  92           1HB      GLU  92  -9.618  15.152  -4.882
  728    HG2  GLU  92           2HG      GLU  92  -8.824  12.961  -5.710
  729    HG3  GLU  92           1HG      GLU  92  -7.591  12.971  -4.449