*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   08-DEC-05   2FB7              
*TITLE     NMR SOLUTION STRUCTURE OF PROTEIN FROM ZEBRA FISH DR.13312            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SM-LIKE PROTEIN, LSM-14_N (RAP55);                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DANIO RERIO;                                    
*SOURCE   3 ORGANISM_COMMON: ZEBRAFISH;                                          
*SOURCE   4 GENE: BC055387;                                                      
*SOURCE   5 EXPRESSION_SYSTEM: TRITICUM AESTIVUM;                                
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: WHEAT GERM;                                
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PEU-HIS;                                  
*SOURCE   9 OTHER_DETAILS: CELL-FREE IN VITRO EXPRESSION                         
*KEYWDS    DR.13312, BC055387, AAH55387, LSM14_N, RAP55, SM-LIKE                 
*KEYWDS   2 PROTEIN, STRONGLY BENT FIVE-STRANDED ANTIPARALLEL BETA-              
*KEYWDS   3 SHEET, STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE                   
*KEYWDS   4 INITIATIVE, CENTER FOR EUKARYOTIC STRUCTURAL GENOMICS, CESG          
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    R.C.TYLER, J.SONG, J.L.MARKLEY, CENTER FOR EUKARYOTIC                 
*AUTHOR   2 STRUCTURAL GENOMICS (CESG)                                           
*REVDAT   1   27-DEC-05 2FB7    0                                                


NOE TABLE
 ASSI {    2}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
      2.400     0.700     0.700 peak     2 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.997 ppm2      5.200 CV     1
 ASSI {    3}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.993 ppm2      8.912 CV     1
 ASSI {    5}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HG12))
      3.100     3.100     2.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.973 ppm2      1.001 CV     1
 ASSI {    7}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 86   and name HA  ))
      2.600     0.800     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.936 ppm2      4.675 CV     1
 ASSI {   10}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 47   and name HB% )
      2.500     0.800     0.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.959 ppm2      1.373 CV     1
 ASSI {   19}
   (( segid "    " and resid 71   and name HB  ))
   (  segid "    " and resid 71   and name HG2%)
      2.500     0.800     0.800 peak    19 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.842 ppm2      0.930 CV     1
 ASSI {   20}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 71   and name HA  ))
      2.600     0.800     0.800 peak    20 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.840 ppm2      4.585 CV     1
 ASSI {   21}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     2.900     3.100 peak    21 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.833 ppm2      4.123 CV     1
 ASSI {   35}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
      2.600     0.800     0.800 peak    35 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.097 ppm2      1.184 CV     1
 ASSI {   41}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 56   and name HA  ))
      2.600     2.600     3.400 peak    41 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.299 ppm2      4.793 CV     1
 ASSI {   43}
   (( segid "    " and resid 61   and name HB  ))
   (  segid "    " and resid 56   and name HG2%)
      2.200     2.200     3.800 peak    43 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.299 ppm2      1.228 CV     1
 ASSI {   47}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.800     0.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.293 ppm2      4.535 CV     1
 ASSI {   48}
   (( segid "    " and resid 61   and name HB  ))
   (  segid "    " and resid 61   and name HG2%)
      2.500     0.800     0.800 peak    48 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.296 ppm2      0.960 CV     1
 ASSI {   58}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak    58 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.017 ppm2      5.219 CV     1
 ASSI {   73}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.100     3.100     2.900 peak    73 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.288 ppm2      1.951 CV     1
 OR {   73}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {   74}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
      2.900     2.900     3.100 peak    74 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.286 ppm2      0.725 CV     1
 OR {   74}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
 ASSI {   79}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.200     2.200     3.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.809 ppm2      3.930 CV     1
 OR {   79}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {   82}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.500     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.347 ppm2      7.740 CV     1
 ASSI {   84}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 65   and name HB  ))
      2.900     2.900     3.100 peak    84 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.294 ppm2      1.719 CV     1
 ASSI {   87}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.914 ppm2      8.424 CV     1
 OR {   87}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {   92}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.556 ppm2      9.307 CV     1
 ASSI {   94}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      2.700     0.900     0.900 peak    94 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.556 ppm2      0.828 CV     1
 ASSI {   96}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HG2 ))
      2.900     2.900     3.100 peak    96 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.820 ppm2      2.197 CV     1
 ASSI {   98}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.700     0.900     0.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.415 ppm2      8.239 CV     1
 ASSI {  101}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HG12))
      3.100     1.200     1.200 peak   101 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.356 ppm2      1.503 CV     1
 OR {  101}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HG11))
 ASSI {  102}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
      2.600     0.800     0.800 peak   102 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.359 ppm2      1.218 CV     1
 ASSI {  103}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 61   and name HG2%)
      3.000     3.000     3.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.358 ppm2      0.964 CV     1
 ASSI {  104}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.200     3.200     2.800 peak   104 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.349 ppm2      8.351 CV     1
 ASSI {  105}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.400     0.700     0.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.349 ppm2      2.176 CV     1
 ASSI {  108}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 22   and name HA  ))
      2.600     0.900     0.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.172 ppm2      4.994 CV     1
 ASSI {  110}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.500     0.800     0.800 peak   110 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.020 ppm2      7.546 CV     1
 ASSI {  111}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.500     2.500     3.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.022 ppm2      2.235 CV     1
 ASSI {  112}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      3.300     1.400     1.400 peak   112 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.018 ppm2      1.918 CV     1
 ASSI {  113}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.200     0.600     0.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.764 ppm2      9.170 CV     1
 ASSI {  114}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB  ))
      2.400     0.700     0.700 peak   114 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.763 ppm2      1.881 CV     1
 OR {  114}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG11))
 ASSI {  115}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HG2%)
      2.500     0.800     0.800 peak   115 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.759 ppm2      0.587 CV     1
 OR {  115}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  116}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.700     0.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.757 ppm2      5.231 CV     1
 ASSI {  120}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 22   and name HG2%)
      2.700     0.900     0.900 peak   120 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.173 ppm2      0.787 CV     1
 ASSI {  131}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.500     0.800     0.800 peak   131 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.430 ppm2      8.416 CV     1
 ASSI {  132}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      2.600     0.900     0.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.431 ppm2      3.953 CV     1
 ASSI {  133}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
      2.900     2.900     3.100 peak   133 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.431 ppm2      0.836 CV     1
 ASSI {  134}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.600     0.800     0.800 peak   134 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.107 ppm2      8.267 CV     1
 ASSI {  135}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      2.600     0.900     0.900 peak   135 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.107 ppm2      7.907 CV     1
 ASSI {  137}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB  ))
      2.600     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.108 ppm2      1.852 CV     1
 ASSI {  138}
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 94   and name HD1%)
      3.200     1.300     1.300 peak   138 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.107 ppm2      0.905 CV     1
 ASSI {  139}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.400     0.700     0.700 peak   139 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.929 ppm2      8.031 CV     1
 ASSI {  140}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      2.900     1.000     1.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.916 ppm2     -0.170 CV     1
 ASSI {  145}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 34   and name HA2 ))
      3.200     1.300     1.300 peak   145 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.921 ppm2      3.792 CV     1
 ASSI {  146}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HG2%)
      2.500     0.800     0.800 peak   146 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.923 ppm2      1.136 CV     1
 ASSI {  147}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.300     0.600     0.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.914 ppm2      9.117 CV     1
 ASSI {  148}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HG1%)
      2.800     1.000     1.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.913 ppm2      0.821 CV     1
 ASSI {  151}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 85   and name HA  ))
      3.000     3.000     3.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.679 ppm2      4.929 CV     1
 ASSI {  152}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.500     0.800     0.800 peak   152 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.655 ppm2      8.726 CV     1
 ASSI {  156}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 71   and name HG2%)
      2.700     0.900     0.900 peak   156 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.582 ppm2      0.898 CV     1
 ASSI {  158}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB  ))
      2.600     0.800     0.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.520 ppm2      1.753 CV     1
 ASSI {  162}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG2 ))
      2.800     0.900     0.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.812 ppm2      2.273 CV     1
 OR {  162}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG1 ))
 ASSI {  163}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.600     0.900     0.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.815 ppm2      2.010 CV     1
 OR {  163}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI {  169}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      3.000     3.000     3.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.832 ppm2      0.790 CV     1
 ASSI {  172}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 56   and name HA  ))
      2.800     2.800     3.200 peak   172 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.521 ppm2      4.812 CV     1
 ASSI {  175}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
      2.700     0.900     0.900 peak   175 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.513 ppm2      1.430 CV     1
 OR {  175}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI {  176}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.300     0.700     0.700 peak   176 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.507 ppm2      9.307 CV     1
 ASSI {  177}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      2.500     0.800     0.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.506 ppm2      5.470 CV     1
 ASSI {  179}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak   179 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.695 ppm2      7.567 CV     1
 ASSI {  182}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HG2%)
      2.500     0.800     0.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.700 ppm2      0.227 CV     1
 ASSI {  185}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.196 ppm2      8.917 CV     1
 ASSI {  188}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
      2.500     0.800     0.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.196 ppm2      1.007 CV     1
 ASSI {  189}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
      2.700     0.900     0.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.194 ppm2      0.726 CV     1
 OR {  189}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
 ASSI {  190}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HG2%)
      2.400     0.700     0.700 peak   190 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.153 ppm2      0.903 CV     1
 ASSI {  191}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.300     0.600     0.600 peak   191 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.149 ppm2      9.520 CV     1
 ASSI {  192}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      2.300     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.147 ppm2      5.560 CV     1
 ASSI {  195}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak   195 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.430 ppm2      8.707 CV     1
 ASSI {  196}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.500     0.800     0.800 peak   196 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.430 ppm2      3.871 CV     1
 OR {  196}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI {  199}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      2.700     0.900     0.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.405 ppm2      8.151 CV     1
 ASSI {  200}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB1 ))
      2.700     0.900     0.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.404 ppm2      2.919 CV     1
 ASSI {  201}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.600     0.900     0.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.404 ppm2      2.549 CV     1
 ASSI {  205}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.600     0.900     0.900 peak   205 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.321 ppm2      3.930 CV     1
 OR {  205}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  206}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.600     0.800     0.800 peak   206 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.218 ppm2      3.904 CV     1
 OR {  206}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  215}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.100     3.100     2.900 peak   215 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.668 ppm2      9.131 CV     1
 ASSI {  216}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.400     0.700     0.700 peak   216 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.390 ppm2      8.635 CV     1
 ASSI {  219}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HG2%)
      2.500     0.800     0.800 peak   219 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.382 ppm2      1.042 CV     1
 ASSI {  220}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB  ))
      2.600     0.800     0.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.377 ppm2      1.746 CV     1
 ASSI {  221}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.900     0.900 peak   221 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.177 ppm2      8.399 CV     1
 ASSI {  222}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.600     0.900     0.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.176 ppm2      2.092 CV     1
 OR {  222}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  225}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.300     0.700     0.700 peak   225 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.035 ppm2      1.981 CV     1
 OR {  225}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  233}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.400     1.500     1.500 peak   233 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.673 ppm2      1.363 CV     1
 ASSI {  234}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
      2.500     0.800     0.800 peak   234 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.673 ppm2      0.817 CV     1
 OR {  234}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HD1%)
 ASSI {  235}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.500     0.800     0.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.357 ppm2      3.367 CV     1
 ASSI {  236}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.800     0.900     0.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.356 ppm2      2.514 CV     1
 ASSI {  241}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     2.500     3.500 peak   241 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.066 ppm2      7.753 CV     1
 ASSI {  246}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   246 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.995 ppm2      8.671 CV     1
 ASSI {  247}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB  ))
      2.400     0.700     0.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.991 ppm2      1.884 CV     1
 ASSI {  248}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HG2%)
      2.700     0.900     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.993 ppm2      0.766 CV     1
 ASSI {  253}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.600     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.757 ppm2      9.083 CV     1
 ASSI {  255}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.600     0.800     0.800 peak   255 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.753 ppm2      2.180 CV     1
 OR {  255}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
 OR {  255}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HG2 ))
 ASSI {  256}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.479 ppm2      8.656 CV     1
 ASSI {  258}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.483 ppm2      5.211 CV     1
 ASSI {  261}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.800     1.000     1.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.323 ppm2      1.534 CV     1
 OR {  261}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HD2 ))
 ASSI {  262}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.500     0.800     0.800 peak   262 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.324 ppm2      1.294 CV     1
 OR {  262}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HG1 ))
 ASSI {  263}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      2.600     0.900     0.900 peak   263 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.289 ppm2      7.894 CV     1
 ASSI {  272}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.500     0.800     0.800 peak   272 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.689 ppm2      1.758 CV     1
 OR {  272}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  273}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
      2.500     0.800     0.800 peak   273 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.690 ppm2      1.367 CV     1
 OR {  273}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG1 ))
 ASSI {  276}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak   276 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.621 ppm2      9.032 CV     1
 ASSI {  277}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.400     0.700     0.700 peak   277 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.616 ppm2      2.690 CV     1
 ASSI {  279}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     0.800     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.599 ppm2      8.317 CV     1
 ASSI {  280}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD% )
      2.500     0.800     0.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.605 ppm2      6.957 CV     1
 ASSI {  281}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.300     0.700     0.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.347 ppm2      9.208 CV     1
 ASSI {  283}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      2.700     0.900     0.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.351 ppm2      0.794 CV     1
 ASSI {  284}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HB2 ))
      2.700     0.900     0.900 peak   284 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.279 ppm2      2.087 CV     1
 ASSI {  285}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.400     0.700     0.700 peak   285 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.210 ppm2      8.147 CV     1
 ASSI {  287}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.600     0.800     0.800 peak   287 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.214 ppm2      1.960 CV     1
 OR {  287}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  288}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 25   and name HG2%)
      2.300     0.700     0.700 peak   288 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.191 ppm2      0.879 CV     1
 ASSI {  289}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      2.600     0.800     0.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.120 ppm2      8.187 CV     1
 ASSI {  290}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HG1 ))
      2.700     0.900     0.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.121 ppm2      1.901 CV     1
 OR {  290}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
 ASSI {  291}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      2.600     0.800     0.800 peak   291 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.120 ppm2      1.601 CV     1
 OR {  291}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
 ASSI {  293}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB1 ))
      2.400     0.700     0.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.630 ppm2      2.090 CV     1
 ASSI {  294}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.300     0.700     0.700 peak   294 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.628 ppm2      8.075 CV     1
 ASSI {  295}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.500     0.800     0.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.622 ppm2      1.654 CV     1
 ASSI {  296}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG1 ))
      2.600     0.800     0.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.622 ppm2      1.412 CV     1
 ASSI {  297}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 71   and name HG2%)
      2.600     0.800     0.800 peak   297 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.622 ppm2      0.920 CV     1
 ASSI {  298}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.500     0.800     0.800 peak   298 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.619 ppm2      8.709 CV     1
 ASSI {  300}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.400     0.700     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.828 ppm2      2.820 CV     1
 ASSI {  301}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.822 ppm2      9.034 CV     1
 ASSI {  304}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak   304 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.513 ppm2      9.434 CV     1
 ASSI {  305}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 33   and name HA  ))
      2.300     0.700     0.700 peak   305 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.516 ppm2      5.908 CV     1
 ASSI {  307}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.500     0.800     0.800 peak   307 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.933 ppm2      9.406 CV     1
 ASSI {  309}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 85   and name HD2%)
      2.900     1.000     1.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.906 ppm2      0.713 CV     1
 OR {  309}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 85   and name HD1%)
 ASSI {  311}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      2.300     0.700     0.700 peak   311 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.640 ppm2      1.984 CV     1
 ASSI {  312}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
      2.400     0.700     0.700 peak   312 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.632 ppm2      1.013 CV     1
 ASSI {  319}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 22   and name HG12))
      3.000     3.000     3.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.918 ppm2      1.421 CV     1
 ASSI {  321}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.600     0.900     0.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.636 ppm2      1.736 CV     1
 ASSI {  323}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.485 ppm2      8.088 CV     1
 ASSI {  325}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.700     0.900     0.900 peak   325 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.485 ppm2      2.634 CV     1
 OR {  325}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  327}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HD1 ))
      2.300     0.700     0.700 peak   327 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.353 ppm2      3.868 CV     1
 ASSI {  328}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HD2 ))
      2.800     0.900     0.900 peak   328 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.353 ppm2      3.557 CV     1
 ASSI {  329}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.800     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.350 ppm2      2.324 CV     1
 ASSI {  330}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
      2.300     0.700     0.700 peak   330 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.351 ppm2      1.592 CV     1
 ASSI {  334}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.500     0.800     0.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.934 ppm2      3.188 CV     1
 ASSI {  335}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
      2.800     1.000     1.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.937 ppm2      2.911 CV     1
 ASSI {  346}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.500     0.800     0.800 peak   346 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.266 ppm2      1.459 CV     1
 OR {  346}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  347}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HD1%)
      2.800     1.000     1.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.265 ppm2      0.696 CV     1
 OR {  347}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HD2%)
 ASSI {  352}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.400     0.700     0.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.914 ppm2      8.600 CV     1
 ASSI {  354}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.914 ppm2      2.171 CV     1
 OR {  354}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  358}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG2 ))
      2.600     0.800     0.800 peak   358 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.549 ppm2      1.359 CV     1
 OR {  358}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG1 ))
 ASSI {  359}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.700     0.700 peak   359 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.131 ppm2      8.903 CV     1
 ASSI {  361}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.400     0.700     0.700 peak   361 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.133 ppm2      1.350 CV     1
 OR {  361}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  362}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 85   and name HD2%)
      2.800     1.000     1.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.132 ppm2      0.713 CV     1
 OR {  362}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 85   and name HD1%)
 ASSI {  363}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 34   and name HA2 ))
      2.900     2.900     3.100 peak   363 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.029 ppm2      3.765 CV     1
 ASSI {  364}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak   364 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.015 ppm2      9.784 CV     1
 ASSI {  366}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.500     0.800     0.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.016 ppm2      1.619 CV     1
 OR {  366}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG1 ))
 OR {  366}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI {  370}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 91   and name HD2 ))
      2.900     2.900     3.100 peak   370 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.686 ppm2      3.728 CV     1
 ASSI {  371}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HG1 ))
      2.900     1.000     1.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.684 ppm2      2.298 CV     1
 OR {  371}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HG2 ))
 ASSI {  372}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.400     0.700     0.700 peak   372 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.683 ppm2      2.032 CV     1
 ASSI {  374}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 95   and name HA  ))
      2.700     2.700     3.300 peak   374 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.574 ppm2      4.280 CV     1
 ASSI {  375}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      2.500     0.800     0.800 peak   375 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.571 ppm2      8.274 CV     1
 ASSI {  378}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 93   and name HD1 ))
      2.600     0.900     0.900 peak   378 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.569 ppm2      3.827 CV     1
 ASSI {  379}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 93   and name HD2 ))
      2.300     0.600     0.600 peak   379 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.569 ppm2      3.630 CV     1
 ASSI {  380}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB2 ))
      2.600     0.800     0.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.570 ppm2      1.766 CV     1
 ASSI {  381}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HG1 ))
      2.600     0.800     0.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.569 ppm2      1.497 CV     1
 ASSI {  387}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      2.600     0.800     0.800 peak   387 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.430 ppm2      1.660 CV     1
 ASSI {  388}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      3.100     1.200     1.200 peak   388 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.432 ppm2      1.292 CV     1
 ASSI {  389}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HD1%)
      2.800     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.427 ppm2      0.694 CV     1
 ASSI {  393}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.500     0.800     0.800 peak   393 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.990 ppm2      3.319 CV     1
 ASSI {  396}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.980 ppm2      2.364 CV     1
 ASSI {  400}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HB% )
      2.600     0.800     0.800 peak   400 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.476 ppm2      1.410 CV     1
 ASSI {  411}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.300     3.300     2.700 peak   411 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.671 ppm2      2.105 CV     1
 ASSI {  412}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HB% )
      2.500     0.800     0.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.667 ppm2      1.442 CV     1
 ASSI {  423}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HB% )
      2.400     0.700     0.700 peak   423 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.483 ppm2      1.364 CV     1
 ASSI {  424}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
      2.500     0.800     0.800 peak   424 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.482 ppm2      0.742 CV     1
 OR {  424}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  433}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      2.400     0.700     0.700 peak   433 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.219 ppm2      1.267 CV     1
 ASSI {  434}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.200     0.600     0.600 peak   434 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.221 ppm2      8.051 CV     1
 ASSI {  442}
   (( segid "    " and resid 79   and name HA2 ))
   (( segid "    " and resid 79   and name HN  ))
      2.300     0.700     0.700 peak   442 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.958 ppm2      8.847 CV     1
 ASSI {  444}
   (( segid "    " and resid 79   and name HA2 ))
   (( segid "    " and resid 79   and name HA1 ))
      2.000     0.500     0.500 peak   444 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.942 ppm2      3.595 CV     1
 ASSI {  447}
   (( segid "    " and resid 79   and name HA1 ))
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak   447 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.584 ppm2      8.898 CV     1
 ASSI {  449}
   (( segid "    " and resid 79   and name HA1 ))
   (  segid "    " and resid 82   and name HD1%)
      3.100     3.100     2.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.587 ppm2      0.632 CV     1
 ASSI {  450}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HB2 ))
      2.000     0.500     0.500 peak   450 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.702 ppm2      1.267 CV     1
 ASSI {  454}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 24   and name HD2%)
      2.600     0.800     0.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.324 ppm2      0.040 CV     1
 OR {  454}
   (( segid "    " and resid 24   and name HB1 ))
   (  segid "    " and resid 24   and name HD1%)
 OR {  454}
   (( segid "    " and resid 24   and name HB1 ))
   (  segid "    " and resid 24   and name HD2%)
 OR {  454}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 24   and name HD1%)
 ASSI {  457}
   (( segid "    " and resid 24   and name HB1 ))
   (  segid "    " and resid 85   and name HD2%)
      2.800     1.000     1.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.313 ppm2      0.715 CV     1
 OR {  457}
   (( segid "    " and resid 24   and name HB1 ))
   (  segid "    " and resid 85   and name HD1%)
 OR {  457}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 85   and name HD2%)
 OR {  457}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 85   and name HD1%)
 ASSI {  462}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 34   and name HA2 ))
      2.000     0.500     0.500 peak   462 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.648 ppm2      3.796 CV     1
 ASSI {  464}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.787 ppm2      9.304 CV     1
 ASSI {  472}
   (( segid "    " and resid 14   and name HA1 ))
   (( segid "    " and resid 14   and name HA2 ))
      2.000     0.500     0.500 peak   472 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.209 ppm2      3.309 CV     1
 ASSI {  474}
   (( segid "    " and resid 13   and name HA1 ))
   (  segid "    " and resid 8    and name HD1%)
      2.200     2.200     3.800 peak   474 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.049 ppm2      0.735 CV     1
 OR {  474}
   (( segid "    " and resid 13   and name HA2 ))
   (  segid "    " and resid 8    and name HD1%)
 ASSI {  478}
   (( segid "    " and resid 34   and name HA2 ))
   (  segid "    " and resid 35   and name HD1%)
      2.900     1.000     1.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.786 ppm2      0.775 CV     1
 ASSI {  480}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      2.600     0.900     0.900 peak   480 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.477 ppm2      4.761 CV     1
 OR {  480}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI {  481}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 25   and name HB  ))
      2.500     0.800     0.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.472 ppm2      1.568 CV     1
 OR {  481}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 25   and name HB  ))
 ASSI {  486}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HA1 ))
      2.100     0.500     0.500 peak   486 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.568 ppm2      3.580 CV     1
 ASSI {  487}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 35   and name HG2%)
      3.300     1.400     1.400 peak   487 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.559 ppm2      0.858 CV     1
 ASSI {  489}
   (( segid "    " and resid 19   and name HA1 ))
   (  segid "    " and resid 35   and name HG2%)
      2.700     0.900     0.900 peak   489 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.584 ppm2      0.857 CV     1
 ASSI {  496}
   (( segid "    " and resid 63   and name HD1 ))
   (( segid "    " and resid 64   and name HG1 ))
      3.100     3.100     2.900 peak   496 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.191 ppm2      2.016 CV     1
 OR {  496}
   (( segid "    " and resid 63   and name HD2 ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI {  507}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 81   and name HB2 ))
      2.000     0.500     0.500 peak   507 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.178 ppm2      2.901 CV     1
 ASSI {  509}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HG1 ))
      2.600     0.800     0.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.062 ppm2      1.615 CV     1
 OR {  509}
   (( segid "    " and resid 52   and name HD1 ))
   (( segid "    " and resid 52   and name HG1 ))
 OR {  509}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HB1 ))
 OR {  509}
   (( segid "    " and resid 52   and name HD1 ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  510}
   (( segid "    " and resid 52   and name HD1 ))
   (( segid "    " and resid 52   and name HG2 ))
      2.500     0.800     0.800 peak   510 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.062 ppm2      1.321 CV     1
 OR {  510}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HG2 ))
 ASSI {  514}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
      2.300     0.700     0.700 peak   514 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.907 ppm2      8.011 CV     1
 ASSI {  515}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 74   and name HD% )
      2.500     0.800     0.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.784 ppm2      6.741 CV     1
 ASSI {  516}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 74   and name HD% )
      2.500     0.800     0.800 peak   516 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.685 ppm2      6.730 CV     1
 ASSI {  523}
   (( segid "    " and resid 21   and name HE1 ))
   (( segid "    " and resid 21   and name HD1 ))
      2.500     0.800     0.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.963 ppm2      1.637 CV     1
 ASSI {  537}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
      2.600     0.900     0.900 peak   537 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.158 ppm2      0.272 CV     1
 ASSI {  541}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.100     0.600     0.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.309 ppm2      2.376 CV     1
 ASSI {  543}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.700     0.700 peak   543 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.883 ppm2      4.023 CV     1
 OR {  543}
   (( segid "    " and resid 83   and name HE2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  545}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 83   and name HG1 ))
      2.700     0.900     0.900 peak   545 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.880 ppm2      1.272 CV     1
 OR {  545}
   (( segid "    " and resid 83   and name HE2 ))
   (( segid "    " and resid 83   and name HG1 ))
 OR {  545}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 83   and name HB1 ))
 OR {  545}
   (( segid "    " and resid 83   and name HE2 ))
   (( segid "    " and resid 83   and name HB1 ))
 ASSI {  547}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 32   and name HD% )
      2.600     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.771 ppm2      6.951 CV     1
 ASSI {  549}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 82   and name HA  ))
      2.800     2.800     3.200 peak   549 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.711 ppm2      3.805 CV     1
 OR {  549}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  550}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 46   and name HG2%)
      2.800     2.800     3.200 peak   550 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.709 ppm2      0.689 CV     1
 OR {  550}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  551}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      2.600     2.600     3.400 peak   551 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.707 ppm2      4.870 CV     1
 OR {  551}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  553}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD% )
      2.500     0.800     0.800 peak   553 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.669 ppm2      6.937 CV     1
 OR {  553}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD% )
 ASSI {  560}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 75   and name HG2%)
      2.500     0.800     0.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.150 ppm2     -0.169 CV     1
 ASSI {  565}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.000     1.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.035 ppm2      4.819 CV     1
 ASSI {  566}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 37   and name HD% )
      2.400     0.700     0.700 peak   566 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.030 ppm2      7.092 CV     1
 ASSI {  567}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 37   and name HD% )
      2.600     0.900     0.900 peak   567 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.899 ppm2      7.082 CV     1
 ASSI {  568}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      2.600     0.900     0.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.504 ppm2      4.491 CV     1
 ASSI {  569}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.000     0.500     0.500 peak   569 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.214 ppm2      1.366 CV     1
 ASSI {  570}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 36   and name HD1%)
      2.700     0.900     0.900 peak   570 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.213 ppm2      0.775 CV     1
 OR {  570}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI {  573}
   (( segid "    " and resid 22   and name HB  ))
   (  segid "    " and resid 22   and name HG2%)
      2.400     0.700     0.700 peak   573 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.887 ppm2      0.757 CV     1
 ASSI {  574}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 22   and name HG12))
      2.600     0.800     0.800 peak   574 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.882 ppm2      1.417 CV     1
 ASSI {  575}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
      2.500     0.800     0.800 peak   575 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.715 ppm2      8.413 CV     1
 ASSI {  576}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 38   and name HA  ))
      3.200     3.200     2.800 peak   576 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.715 ppm2      4.447 CV     1
 ASSI {  578}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 65   and name HG12))
      2.500     0.800     0.800 peak   578 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.707 ppm2      1.491 CV     1
 OR {  578}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 65   and name HG11))
 ASSI {  582}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 36   and name HD2%)
      2.600     0.900     0.900 peak   582 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.356 ppm2      0.775 CV     1
 OR {  582}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  589}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
      2.100     0.600     0.600 peak   589 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.368 ppm2      2.502 CV     1
 ASSI {  590}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HD% )
      2.600     0.900     0.900 peak   590 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.367 ppm2      7.136 CV     1
 ASSI {  592}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak   592 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.884 ppm2      4.753 CV     1
 ASSI {  593}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HB2 ))
      2.200     0.600     0.600 peak   593 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.884 ppm2      2.593 CV     1
 ASSI {  595}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      2.600     0.900     0.900 peak   595 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.595 ppm2      4.755 CV     1
 ASSI {  597}
   (( segid "    " and resid 82   and name HB  ))
   (  segid "    " and resid 82   and name HG2%)
      2.500     0.800     0.800 peak   597 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.872 ppm2      0.602 CV     1
 OR {  597}
   (( segid "    " and resid 82   and name HB  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  602}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   602 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.745 ppm2      4.787 CV     1
 ASSI {  603}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HB2 ))
      2.100     0.500     0.500 peak   603 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.747 ppm2      2.461 CV     1
 ASSI {  607}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.884 ppm2      9.267 CV     1
 ASSI {  608}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.200     3.200     2.800 peak   608 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.883 ppm2      1.355 CV     1
 ASSI {  609}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG2%)
      2.400     0.700     0.700 peak   609 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.879 ppm2      0.841 CV     1
 ASSI {  612}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
      2.600     0.800     0.800 peak   612 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.560 ppm2      0.769 CV     1
 OR {  612}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI {  613}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.200     3.200     2.800 peak   613 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.535 ppm2      2.686 CV     1
 OR {  613}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  616}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HA  ))
      2.700     0.900     0.900 peak   616 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.169 ppm2      3.752 CV     1
 ASSI {  617}
   (( segid "    " and resid 94   and name HB  ))
   (  segid "    " and resid 94   and name HD1%)
      2.700     0.900     0.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.859 ppm2      0.892 CV     1
 ASSI {  619}
   (( segid "    " and resid 30   and name HB  ))
   (  segid "    " and resid 30   and name HG2%)
      2.500     0.800     0.800 peak   619 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.604 ppm2      0.231 CV     1
 ASSI {  622}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak   622 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.205 ppm2      4.197 CV     1
 OR {  622}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  623}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.203 ppm2      8.353 CV     1
 OR {  623}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  624}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      2.500     0.800     0.800 peak   624 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.859 ppm2      0.883 CV     1
 ASSI {  627}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 91   and name HD2 ))
      2.900     1.100     1.100 peak   627 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.301 ppm2      3.783 CV     1
 OR {  627}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 91   and name HD2 ))
 ASSI {  630}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 70   and name HB2 ))
      2.600     0.900     0.900 peak   630 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.897 ppm2      1.603 CV     1
 OR {  630}
   (( segid "    " and resid 70   and name HG1 ))
   (( segid "    " and resid 70   and name HB1 ))
 OR {  630}
   (( segid "    " and resid 70   and name HG1 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  630}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 70   and name HB1 ))
 ASSI {  633}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 46   and name HA  ))
      2.600     0.800     0.800 peak   633 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.825 ppm2      4.529 CV     1
 ASSI {  635}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 46   and name HG1%)
      2.500     0.800     0.800 peak   635 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.814 ppm2      0.721 CV     1
 OR {  635}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  640}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.200     2.200     3.800 peak   640 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.056 ppm2      2.699 CV     1
 ASSI {  641}
   (( segid "    " and resid 51   and name HB  ))
   (  segid "    " and resid 51   and name HG1%)
      2.500     0.800     0.800 peak   641 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.051 ppm2      0.822 CV     1
 ASSI {  642}
   (( segid "    " and resid 51   and name HB  ))
   (  segid "    " and resid 51   and name HG2%)
      2.500     0.800     0.800 peak   642 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.046 ppm2      1.134 CV     1
 ASSI {  643}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HB1 ))
      2.100     0.500     0.500 peak   643 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.523 ppm2      1.291 CV     1
 OR {  643}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HG1 ))
 ASSI {  645}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 83   and name HA  ))
      2.400     0.700     0.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.310 ppm2      4.316 CV     1
 ASSI {  646}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 83   and name HB2 ))
      2.000     0.500     0.500 peak   646 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.309 ppm2      1.540 CV     1
 OR {  646}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 83   and name HD2 ))
 ASSI {  649}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.594 ppm2      5.010 CV     1
 ASSI {  652}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak   652 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.759 ppm2      8.700 CV     1
 OR {  652}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  653}
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 92   and name HA  ))
      2.400     0.700     0.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.703 ppm2      4.612 CV     1
 ASSI {  665}
   (( segid "    " and resid 87   and name HB  ))
   (  segid "    " and resid 87   and name HG2%)
      2.500     0.800     0.800 peak   665 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.855 ppm2      0.802 CV     1
 ASSI {  666}
   (( segid "    " and resid 87   and name HB  ))
   (  segid "    " and resid 87   and name HG1%)
      2.500     0.800     0.800 peak   666 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.841 ppm2      0.598 CV     1
 ASSI {  670}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak   670 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.777 ppm2      4.365 CV     1
 ASSI {  671}
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 92   and name HG1 ))
      2.700     0.900     0.900 peak   671 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.709 ppm2      1.486 CV     1
 ASSI {  678}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HD2 ))
      3.200     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.138 ppm2      3.568 CV     1
 ASSI {  679}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.400     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.135 ppm2      4.353 CV     1
 ASSI {  680}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HD1 ))
      2.900     1.000     1.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.125 ppm2      3.856 CV     1
 ASSI {  685}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
      3.200     3.200     2.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.002 ppm2      4.303 CV     1
 OR {  685}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  687}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HG1 ))
      2.400     0.700     0.700 peak   687 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.995 ppm2      1.307 CV     1
 OR {  687}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI {  688}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     0.700     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.975 ppm2      8.496 CV     1
 OR {  688}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  720}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HB1 ))
      2.000     0.500     0.500 peak   720 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.758 ppm2      1.575 CV     1
 ASSI {  728}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   728 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.095 ppm2      4.594 CV     1
 OR {  728}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  736}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.800     0.800 peak   736 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.074 ppm2      8.401 CV     1
 OR {  736}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI {  744}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 50   and name HB2 ))
      2.000     0.500     0.500 peak   744 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.099 ppm2      1.676 CV     1
 ASSI {  745}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 50   and name HG1 ))
      2.700     0.900     0.900 peak   745 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.102 ppm2      1.403 CV     1
 ASSI {  748}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   748 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.672 ppm2      4.663 CV     1
 ASSI {  754}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 30   and name HG12))
      3.200     3.200     2.800 peak   754 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.511 ppm2      0.486 CV     1
 ASSI {  770}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HB2 ))
      2.200     0.600     0.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.907 ppm2      2.551 CV     1
 ASSI {  776}
   (( segid "    " and resid 18   and name HG12))
   (  segid "    " and resid 18   and name HD1%)
      2.600     0.800     0.800 peak   776 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.609 ppm2      0.762 CV     1
 ASSI {  780}
   (( segid "    " and resid 18   and name HG11))
   (  segid "    " and resid 35   and name HG2%)
      2.900     2.900     3.100 peak   780 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.269 ppm2      0.835 CV     1
 ASSI {  782}
   (( segid "    " and resid 75   and name HG12))
   (( segid "    " and resid 48   and name HB1 ))
      2.600     2.600     3.400 peak   782 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.101 ppm2      1.673 CV     1
 OR {  782}
   (( segid "    " and resid 75   and name HG11))
   (( segid "    " and resid 48   and name HB1 ))
 ASSI {  800}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 15   and name HB  ))
      3.500     3.500     2.500 peak   800 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.010 ppm2      4.129 CV     1
 ASSI {  806}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 66   and name HA  ))
      3.600     1.700     1.700 peak   806 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.909 ppm2      4.696 CV     1
 ASSI {  808}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 69   and name HB2 ))
      3.100     3.100     2.900 peak   808 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.891 ppm2      2.496 CV     1
 ASSI {  820}
   (( segid "    " and resid 94   and name HG11))
   (  segid "    " and resid 94   and name HG2%)
      3.100     1.200     1.200 peak   820 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.500 ppm2      1.203 CV     1
 ASSI {  821}
   (( segid "    " and resid 22   and name HG12))
   (( segid "    " and resid 22   and name HN  ))
      2.500     2.500     3.500 peak   821 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.414 ppm2      9.230 CV     1
 ASSI {  824}
   (( segid "    " and resid 22   and name HG11))
   (( segid "    " and resid 85   and name HB2 ))
      2.700     2.700     3.300 peak   824 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.190 ppm2      1.493 CV     1
 OR {  824}
   (( segid "    " and resid 22   and name HG11))
   (( segid "    " and resid 85   and name HB1 ))
 ASSI {  825}
   (( segid "    " and resid 22   and name HG11))
   (  segid "    " and resid 22   and name HD1%)
      2.500     0.800     0.800 peak   825 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.193 ppm2      0.879 CV     1
 ASSI {  828}
   (( segid "    " and resid 75   and name HG12))
   (  segid "    " and resid 75   and name HD1%)
      2.500     0.800     0.800 peak   828 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.096 ppm2      0.270 CV     1
 OR {  828}
   (( segid "    " and resid 75   and name HG11))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  834}
   (( segid "    " and resid 82   and name HG11))
   (  segid "    " and resid 82   and name HD1%)
      2.600     0.800     0.800 peak   834 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.877 ppm2      0.567 CV     1
 OR {  834}
   (( segid "    " and resid 82   and name HG11))
   (  segid "    " and resid 82   and name HG2%)
 ASSI {  835}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 52   and name HD2 ))
      2.500     0.800     0.800 peak   835 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.593 ppm2      3.057 CV     1
 OR {  835}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 52   and name HD1 ))
 ASSI {  838}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HD1 ))
      2.500     0.800     0.800 peak   838 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.511 ppm2      3.178 CV     1
 OR {  838}
   (( segid "    " and resid 63   and name HG1 ))
   (( segid "    " and resid 63   and name HD2 ))
 OR {  838}
   (( segid "    " and resid 63   and name HG1 ))
   (( segid "    " and resid 63   and name HD1 ))
 OR {  838}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HD2 ))
 ASSI {  839}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 83   and name HE1 ))
      2.800     2.800     3.200 peak   839 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.504 ppm2      2.873 CV     1
 OR {  839}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 83   and name HE2 ))
 ASSI {  840}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.500 ppm2      4.062 CV     1
 ASSI {  847}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HB1 ))
      2.500     0.800     0.800 peak   847 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.053 ppm2      1.357 CV     1
 OR {  847}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  848}
   (( segid "    " and resid 65   and name HG11))
   (( segid "    " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   848 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.492 ppm2      4.364 CV     1
 OR {  848}
   (( segid "    " and resid 65   and name HG12))
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  849}
   (( segid "    " and resid 65   and name HG11))
   (  segid "    " and resid 65   and name HG2%)
      2.800     1.000     1.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.491 ppm2      1.013 CV     1
 OR {  849}
   (( segid "    " and resid 65   and name HG12))
   (  segid "    " and resid 65   and name HG2%)
 ASSI {  852}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 19   and name HA1 ))
      3.000     3.000     3.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.733 ppm2      3.542 CV     1
 ASSI {  853}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HB1 ))
      2.600     0.800     0.800 peak   853 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.732 ppm2      2.228 CV     1
 ASSI {  854}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 24   and name HD2%)
      2.500     2.500     3.500 peak   854 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.718 ppm2      0.023 CV     1
 OR {  854}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 24   and name HD1%)
 ASSI {  855}
   (  segid "    " and resid 24   and name HD1%)
   (  segid "    " and resid 85   and name HD2%)
      2.600     0.900     0.900 peak   855 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.053 ppm2      0.694 CV     1
 OR {  855}
   (  segid "    " and resid 24   and name HD1%)
   (  segid "    " and resid 85   and name HD1%)
 ASSI {  856}
   (  segid "    " and resid 24   and name HD1%)
   (  segid "    " and resid 32   and name HD% )
      3.000     3.000     3.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.052 ppm2      6.951 CV     1
 ASSI {  857}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 82   and name HB  ))
      2.700     0.900     0.900 peak   857 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.051 ppm2      1.845 CV     1
 OR {  857}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 82   and name HG11))
 ASSI {  862}
   (( segid "    " and resid 83   and name HG1 ))
   (( segid "    " and resid 83   and name HE1 ))
      2.600     0.900     0.900 peak   862 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.303 ppm2      2.895 CV     1
 OR {  862}
   (( segid "    " and resid 83   and name HG1 ))
   (( segid "    " and resid 83   and name HE2 ))
 ASSI {  863}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 83   and name HA  ))
      2.600     0.900     0.900 peak   863 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.193 ppm2      4.316 CV     1
 ASSI {  864}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 83   and name HE2 ))
      2.500     0.800     0.800 peak   864 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.192 ppm2      2.884 CV     1
 OR {  864}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 83   and name HE1 ))
 ASSI {  865}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.000     1.000 peak   865 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.724 ppm2      4.292 CV     1
 ASSI {  869}
   (  segid "    " and resid 48   and name HD2%)
   (  segid "    " and resid 77   and name HD% )
      2.800     2.800     3.200 peak   869 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.680 ppm2      6.960 CV     1
 OR {  869}
   (  segid "    " and resid 48   and name HD1%)
   (  segid "    " and resid 77   and name HD% )
 ASSI {  878}
   (  segid "    " and resid 51   and name HG2%)
   (  segid "    " and resid 32   and name HD% )
      2.600     0.800     0.800 peak   878 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.138 ppm2      6.964 CV     1
 ASSI {  884}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 34   and name HA2 ))
      3.300     1.400     1.400 peak   884 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.678 ppm2      3.821 CV     1
 OR {  884}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 34   and name HA2 ))
 ASSI {  894}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      2.700     0.900     0.900 peak   894 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.139 ppm2      9.088 CV     1
 ASSI {  896}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 32   and name HB1 ))
      2.400     0.700     0.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.138 ppm2      2.798 CV     1
 ASSI {  910}
   (  segid "    " and resid 24   and name HD2%)
   (  segid "    " and resid 32   and name HD% )
      2.700     2.700     3.300 peak   910 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.021 ppm2      6.956 CV     1
 ASSI {  911}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 24   and name HA  ))
      3.200     1.300     1.300 peak   911 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.024 ppm2      5.161 CV     1
 ASSI {  912}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 82   and name HB  ))
      3.100     1.200     1.200 peak   912 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.022 ppm2      1.867 CV     1
 OR {  912}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 82   and name HG11))
 ASSI {  913}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 24   and name HB2 ))
      2.600     0.800     0.800 peak   913 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.021 ppm2      1.355 CV     1
 OR {  913}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 24   and name HB1 ))
 ASSI {  914}
   (  segid "    " and resid 24   and name HD2%)
   (  segid "    " and resid 85   and name HD2%)
      3.000     1.200     1.200 peak   914 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.022 ppm2      0.697 CV     1
 OR {  914}
   (  segid "    " and resid 24   and name HD2%)
   (  segid "    " and resid 85   and name HD1%)
 ASSI {  922}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak   922 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.260 ppm2      8.057 CV     1
 ASSI {  923}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 74   and name HD% )
      3.000     1.200     1.200 peak   923 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.261 ppm2      6.739 CV     1
 ASSI {  927}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 76   and name HD1%)
      2.800     2.800     3.200 peak   927 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.264 ppm2      0.749 CV     1
 OR {  927}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  928}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak   928 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.684 ppm2      4.283 CV     1
 ASSI {  932}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 56   and name HA  ))
      2.600     0.900     0.900 peak   932 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.215 ppm2      4.795 CV     1
 ASSI {  939}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.224 ppm2      4.315 CV     1
 ASSI {  948}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.800     0.800 peak   948 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.175 ppm2      4.316 CV     1
 ASSI {  953}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 78   and name HD1 ))
      3.200     1.300     1.300 peak   953 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.014 ppm2      3.170 CV     1
 OR {  953}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 78   and name HD2 ))
 ASSI {  957}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HB  ))
      2.400     0.700     0.700 peak   957 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.012 ppm2      3.972 CV     1
 ASSI {  958}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 81   and name HB2 ))
      3.400     3.400     2.600 peak   958 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.013 ppm2      2.955 CV     1
 ASSI {  961}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 40   and name HB2 ))
      2.800     1.000     1.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.012 ppm2      2.351 CV     1
 ASSI {  967}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      3.100     3.100     2.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.928 ppm2      9.513 CV     1
 ASSI {  970}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 72   and name HB1 ))
      3.200     3.200     2.800 peak   970 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.929 ppm2      3.036 CV     1
 ASSI {  973}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak   973 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.929 ppm2      8.718 CV     1
 ASSI {  974}
   (  segid "    " and resid 71   and name HG2%)
   (  segid "    " and resid 48   and name HD2%)
      2.200     2.200     3.800 peak   974 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.926 ppm2      0.638 CV     1
 ASSI {  975}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 88   and name HA  ))
      2.900     1.000     1.000 peak   975 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.836 ppm2      4.425 CV     1
 ASSI {  977}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 89   and name HA  ))
      2.800     2.800     3.200 peak   977 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.827 ppm2      4.676 CV     1
 ASSI {  978}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
      2.600     0.800     0.800 peak   978 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.830 ppm2      4.187 CV     1
 ASSI {  979}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 20   and name HB2 ))
      2.200     2.200     3.800 peak   979 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.830 ppm2      3.825 CV     1
 OR {  979}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 20   and name HB1 ))
 ASSI {  983}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 77   and name HD% )
      2.900     1.100     1.100 peak   983 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.723 ppm2      6.954 CV     1
 OR {  983}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 77   and name HD% )
 ASSI {  985}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
      2.900     1.100     1.100 peak   985 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.726 ppm2      2.682 CV     1
 OR {  985}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 77   and name HB1 ))
 OR {  985}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 77   and name HB2 ))
 OR {  985}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  986}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 36   and name HB1 ))
      2.700     2.700     3.300 peak   986 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.726 ppm2      2.237 CV     1
 ASSI {  989}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 24   and name HD1%)
      2.700     0.900     0.900 peak   989 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.722 ppm2      0.027 CV     1
 OR {  989}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 24   and name HD2%)
 OR {  989}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 24   and name HD2%)
 OR {  989}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 24   and name HD1%)
 ASSI {  995}
   (  segid "    " and resid 28   and name HB% )
   (  segid "    " and resid 25   and name HG2%)
      3.200     3.200     2.800 peak   995 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.403 ppm2      0.867 CV     1
 ASSI {  996}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.800     0.800 peak   996 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.804 ppm2      9.208 CV     1
 ASSI {  997}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.200     1.200 peak   997 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.805 ppm2      8.671 CV     1
 ASSI { 1009}
   (  segid "    " and resid 28   and name HB% )
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.403 ppm2      7.737 CV     1
 ASSI { 1012}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
      2.900     1.100     1.100 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.965 ppm2      7.728 CV     1
 ASSI { 1013}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 56   and name HA  ))
      2.200     2.200     3.800 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.966 ppm2      4.772 CV     1
 ASSI { 1016}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
      2.200     2.200     3.800 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.967 ppm2      2.280 CV     1
 ASSI { 1019}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 65   and name HB  ))
      3.000     3.000     3.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.966 ppm2      1.691 CV     1
 ASSI { 1021}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 63   and name HG2 ))
      3.100     3.100     2.900 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.965 ppm2      1.480 CV     1
 OR { 1021}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 63   and name HG1 ))
 ASSI { 1024}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.223 ppm2      7.556 CV     1
 ASSI { 1027}
   (  segid "    " and resid 30   and name HG2%)
   (  segid "    " and resid 51   and name HG2%)
      2.900     2.900     3.100 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.222 ppm2      1.136 CV     1
 ASSI { 1028}
   (  segid "    " and resid 30   and name HG2%)
   (  segid "    " and resid 25   and name HG2%)
      3.100     1.200     1.200 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.223 ppm2      0.849 CV     1
 ASSI { 1029}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 30   and name HG12))
      3.000     1.100     1.100 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.222 ppm2      0.514 CV     1
 ASSI { 1039}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 67   and name HB1 ))
      3.600     3.600     2.400 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.434 ppm2      2.128 CV     1
 ASSI { 1046}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 83   and name HN  ))
      3.000     1.100     1.100 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.577 ppm2      9.168 CV     1
 ASSI { 1048}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      2.400     0.700     0.700 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.578 ppm2      3.768 CV     1
 ASSI { 1049}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 82   and name HB  ))
      2.500     0.800     0.800 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.579 ppm2      1.874 CV     1
 OR { 1049}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 82   and name HG11))
 ASSI { 1050}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 24   and name HB2 ))
      3.300     1.400     1.400 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.579 ppm2      1.363 CV     1
 ASSI { 1052}
   (  segid "    " and resid 82   and name HG2%)
   (  segid "    " and resid 24   and name HD1%)
      2.500     0.800     0.800 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.579 ppm2      0.054 CV     1
 ASSI { 1055}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      2.600     0.800     0.800 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.037 ppm2      8.605 CV     1
 ASSI { 1057}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 14   and name HA2 ))
      2.200     2.200     3.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.037 ppm2      3.308 CV     1
 ASSI { 1058}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.900     0.900 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.914 ppm2      9.308 CV     1
 ASSI { 1059}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 37   and name HA  ))
      2.700     2.700     3.300 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.911 ppm2      4.828 CV     1
 ASSI { 1060}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HA2 ))
      2.700     0.900     0.900 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.914 ppm2      4.520 CV     1
 ASSI { 1061}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.913 ppm2      3.550 CV     1
 ASSI { 1062}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 84   and name HB1 ))
      3.200     1.300     1.300 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.905 ppm2      2.436 CV     1
 OR { 1062}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 84   and name HB2 ))
 ASSI { 1063}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 83   and name HE2 ))
      3.100     3.100     2.900 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.897 ppm2      2.863 CV     1
 OR { 1063}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 83   and name HE1 ))
 ASSI { 1064}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.885 ppm2      9.472 CV     1
 ASSI { 1068}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.200     3.200     2.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.842 ppm2      9.214 CV     1
 ASSI { 1069}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 34   and name HA1 ))
      3.200     1.300     1.300 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.839 ppm2      4.614 CV     1
 ASSI { 1073}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.800     0.800 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.730 ppm2      9.324 CV     1
 ASSI { 1074}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.729 ppm2      4.522 CV     1
 ASSI { 1075}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 45   and name HB  ))
      2.500     0.800     0.800 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.730 ppm2      3.989 CV     1
 ASSI { 1076}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      3.300     1.300     1.300 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.729 ppm2      8.929 CV     1
 ASSI { 1077}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
      2.500     0.800     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.728 ppm2      5.474 CV     1
 ASSI { 1078}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
      3.200     1.300     1.300 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.727 ppm2      2.693 CV     1
 OR { 1078}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1082}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      3.100     1.200     1.200 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1     -0.178 ppm2      8.010 CV     1
 ASSI { 1083}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1     -0.176 ppm2      5.460 CV     1
 ASSI { 1086}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 48   and name HD1%)
      2.200     2.200     3.800 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1     -0.178 ppm2      0.689 CV     1
 ASSI { 1098}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 23   and name HB1 ))
      3.200     3.200     2.800 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.854 ppm2      3.659 CV     1
 ASSI { 1103}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.840 ppm2      4.492 CV     1
 ASSI { 1109}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 75   and name HG2%)
      2.900     1.000     1.000 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.256 ppm2     -0.188 CV     1
 ASSI { 1113}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
      3.500     3.500     2.500 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.782 ppm2      2.698 CV     1
 OR { 1113}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1114}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 84   and name HB2 ))
      2.600     0.900     0.900 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.764 ppm2      2.473 CV     1
 OR { 1114}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 84   and name HB1 ))
 ASSI { 1119}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.100     1.100 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.793 ppm2      4.676 CV     1
 ASSI { 1121}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 50   and name HE1 ))
      2.900     2.900     3.100 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.791 ppm2      2.946 CV     1
 ASSI { 1122}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 50   and name HB1 ))
      2.600     0.800     0.800 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.789 ppm2      2.113 CV     1
 ASSI { 1123}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.784 ppm2      4.394 CV     1
 ASSI { 1125}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      3.300     3.300     2.700 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.479 ppm2      1.266 CV     1
 ASSI { 1126}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
      3.000     3.000     3.000 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.502 ppm2      0.804 CV     1
 ASSI { 1127}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      3.500     1.500     1.500 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.620 ppm2      5.193 CV     1
 ASSI { 1130}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.200     2.200     3.800 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.020 ppm2      9.008 CV     1
 ASSI { 1133}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 86   and name HN  ))
      2.500     0.800     0.800 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.935 ppm2      9.109 CV     1
 ASSI { 1134}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 87   and name HN  ))
      3.100     1.200     1.200 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.933 ppm2      8.718 CV     1
 ASSI { 1135}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 37   and name HD% )
      2.600     2.600     3.400 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.959 ppm2      7.099 CV     1
 ASSI { 1141}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.200     2.200     3.800 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.293 ppm2      2.298 CV     1
 ASSI { 1142}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 64   and name HG1 ))
      3.400     3.400     2.600 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.296 ppm2      2.035 CV     1
 ASSI { 1146}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HD1 ))
      2.900     1.100     1.100 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.096 ppm2      3.776 CV     1
 ASSI { 1155}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
      2.600     0.800     0.800 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.560 ppm2      1.860 CV     1
 ASSI { 1156}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      2.600     0.800     0.800 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.476 ppm2      5.509 CV     1
 ASSI { 1158}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG12))
      2.500     0.800     0.800 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.690 ppm2      0.492 CV     1
 ASSI { 1159}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 25   and name HG2%)
      2.600     0.900     0.900 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.707 ppm2      0.863 CV     1
 ASSI { 1161}
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 94   and name HG2%)
      2.600     0.900     0.900 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.112 ppm2      1.184 CV     1
 ASSI { 1162}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.600     0.800     0.800 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.520 ppm2      7.711 CV     1
 ASSI { 1168}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.800     0.800 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.754 ppm2      8.680 CV     1
 ASSI { 1170}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.800     0.800 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.228 ppm2      9.137 CV     1
 ASSI { 1171}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.300     0.700     0.700 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.229 ppm2      8.491 CV     1
 ASSI { 1173}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD% )
      2.600     0.900     0.900 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.481 ppm2      6.729 CV     1
 ASSI { 1175}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.513 ppm2      1.316 CV     1
 OR { 1175}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 1176}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.700     0.900     0.900 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.820 ppm2      2.560 CV     1
 ASSI { 1178}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.300     0.600     0.600 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.548 ppm2      9.682 CV     1
 ASSI { 1179}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HD1%)
      2.800     1.000     1.000 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.134 ppm2      0.030 CV     1
 OR { 1179}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HD2%)
 ASSI { 1181}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     2.700     3.300 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.431 ppm2      4.374 CV     1
 ASSI { 1186}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 51   and name HG1%)
      2.900     2.900     3.100 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.228 ppm2      0.836 CV     1
 ASSI { 1187}
   (( segid "    " and resid 79   and name HA1 ))
   (( segid "    " and resid 82   and name HG11))
      3.400     1.500     1.500 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.586 ppm2      1.897 CV     1
 OR { 1187}
   (( segid "    " and resid 79   and name HA1 ))
   (( segid "    " and resid 82   and name HB  ))
 ASSI { 1189}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.000     3.000     3.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.311 ppm2      9.496 CV     1
 OR { 1189}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1190}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     2.900     3.100 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.651 ppm2      9.225 CV     1
 ASSI { 1192}
   (( segid "    " and resid 34   and name HA1 ))
   (  segid "    " and resid 35   and name HD1%)
      3.000     1.100     1.100 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.650 ppm2      0.777 CV     1
 ASSI { 1196}
   (( segid "    " and resid 14   and name HA1 ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.220 ppm2      8.682 CV     1
 ASSI { 1197}
   (( segid "    " and resid 14   and name HA1 ))
   (  segid "    " and resid 61   and name HG2%)
      2.600     2.600     3.400 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.217 ppm2      1.033 CV     1
 ASSI { 1200}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.586 ppm2      9.264 CV     1
 ASSI { 1205}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.676 ppm2      5.477 CV     1
 ASSI { 1206}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.774 ppm2      5.472 CV     1
 ASSI { 1207}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 81   and name HN  ))
      3.100     1.200     1.200 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.169 ppm2      8.042 CV     1
 ASSI { 1212}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 48   and name HD2%)
      2.600     2.600     3.400 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.154 ppm2      0.668 CV     1
 OR { 1212}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 48   and name HD1%)
 ASSI { 1213}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.181 ppm2      9.071 CV     1
 OR { 1213}
   (( segid "    " and resid 78   and name HD1 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1217}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.100     1.100 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.308 ppm2      8.475 CV     1
 ASSI { 1218}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 45   and name HG2%)
      2.600     0.800     0.800 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.739 ppm2      1.002 CV     1
 ASSI { 1219}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      3.000     1.200     1.200 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.744 ppm2      7.866 CV     1
 ASSI { 1224}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD% )
      2.500     0.800     0.800 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.505 ppm2      7.107 CV     1
 ASSI { 1227}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
      2.400     0.700     0.700 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.885 ppm2      4.673 CV     1
 ASSI { 1233}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.602 ppm2      6.944 CV     1
 ASSI { 1235}
   (( segid "    " and resid 94   and name HB  ))
   (( segid "    " and resid 94   and name HN  ))
      2.600     2.600     3.400 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.853 ppm2      8.200 CV     1
 ASSI { 1239}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
      2.700     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.524 ppm2      4.328 CV     1
 ASSI { 1240}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.400     1.400     1.400 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.316 ppm2      4.030 CV     1
 ASSI { 1242}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      2.400     0.700     0.700 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.672 ppm2      5.001 CV     1
 ASSI { 1243}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HD2 ))
      2.500     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.661 ppm2      3.032 CV     1
 OR { 1243}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HD1 ))
 ASSI { 1244}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HD2 ))
      2.900     1.000     1.000 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.592 ppm2      3.027 CV     1
 OR { 1244}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HD1 ))
 ASSI { 1245}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.667 ppm2      9.136 CV     1
 ASSI { 1246}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.583 ppm2      9.125 CV     1
 ASSI { 1247}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      3.300     1.400     1.400 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.119 ppm2      7.709 CV     1
 ASSI { 1250}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HD2 ))
      2.700     0.900     0.900 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.579 ppm2      3.157 CV     1
 OR { 1250}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HD1 ))
 ASSI { 1253}
   (( segid "    " and resid 27   and name HD1 ))
   (  segid "    " and resid 25   and name HG2%)
      3.100     3.100     2.900 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.516 ppm2      0.864 CV     1
 ASSI { 1255}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      2.500     0.800     0.800 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.086 ppm2      7.926 CV     1
 OR { 1255}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 1258}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HN  ))
      2.600     0.900     0.900 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.910 ppm2      8.740 CV     1
 ASSI { 1259}
   (( segid "    " and resid 75   and name HG12))
   (  segid "    " and resid 75   and name HG2%)
      2.700     0.900     0.900 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.099 ppm2     -0.166 CV     1
 OR { 1259}
   (( segid "    " and resid 75   and name HG11))
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 1263}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HA  ))
      2.700     0.900     0.900 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.054 ppm2      5.139 CV     1
 ASSI { 1266}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 37   and name HD% )
      2.800     1.000     1.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.267 ppm2      7.096 CV     1
 ASSI { 1268}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 38   and name HN  ))
      2.400     0.700     0.700 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.363 ppm2      7.652 CV     1
 ASSI { 1269}
   (  segid "    " and resid 47   and name HB% )
   (  segid "    " and resid 37   and name HD% )
      2.600     0.900     0.900 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.363 ppm2      7.082 CV     1
 ASSI { 1272}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 56   and name HN  ))
      3.000     3.000     3.000 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.177 ppm2      7.899 CV     1
 ASSI { 1273}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.012 ppm2      8.151 CV     1
 ASSI { 1274}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
      2.700     2.700     3.300 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.011 ppm2      8.338 CV     1
 ASSI { 1276}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 89   and name HG1 ))
      2.900     2.900     3.100 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.831 ppm2      2.334 CV     1
 OR { 1276}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 89   and name HG2 ))
 ASSI { 1277}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 79   and name HA1 ))
      2.900     1.100     1.100 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.015 ppm2      3.598 CV     1
 ASSI { 1279}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 46   and name HB  ))
      2.900     2.900     3.100 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.728 ppm2      1.849 CV     1
 ASSI { 1282}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.353 ppm2      5.430 CV     1
 ASSI { 1283}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 78   and name HA  ))
      2.800     2.800     3.200 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.195 ppm2      4.637 CV     1
 ASSI { 1284}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD% )
      2.700     0.900     0.900 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.354 ppm2      7.137 CV     1
 ASSI { 1285}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.900     0.900 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.359 ppm2      7.530 CV     1
 ASSI { 1287}
   (( segid "    " and resid 55   and name HA1 ))
   (  segid "    " and resid 54   and name HD% )
      2.200     2.200     3.800 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.058 ppm2      7.094 CV     1
 ASSI { 1288}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      2.900     1.100     1.100 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.383 ppm2      9.378 CV     1
 ASSI { 1292}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.934 ppm2      5.140 CV     1
 ASSI { 1295}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 29   and name HA  ))
      2.700     2.700     3.300 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.697 ppm2      4.172 CV     1
 ASSI { 1298}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.919 ppm2      9.078 CV     1
 ASSI { 1299}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.300     0.700     0.700 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.686 ppm2      9.333 CV     1
 ASSI { 1300}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.800     2.800     3.200 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.351 ppm2      3.570 CV     1
 ASSI { 1301}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      2.900     2.900     3.100 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.401 ppm2      0.721 CV     1
 OR { 1301}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 1303}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.300     1.400     1.400 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.520 ppm2      2.718 CV     1
 OR { 1303}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1305}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     2.600     3.400 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.309 ppm2      7.779 CV     1
 ASSI { 1306}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      2.800     1.000     1.000 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.309 ppm2      3.810 CV     1
 OR { 1306}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 1308}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.900     1.100     1.100 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.481 ppm2      9.319 CV     1
 ASSI { 1309}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.900     2.900     3.100 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.913 ppm2      1.668 CV     1
 ASSI { 1310}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB  ))
      2.300     0.700     0.700 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.933 ppm2      2.023 CV     1
 ASSI { 1311}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 48   and name HD2%)
      2.700     2.700     3.300 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.917 ppm2      0.678 CV     1
 OR { 1311}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 48   and name HD1%)


UNAMBIGOUS NOE TABLE
 ASSI {    1}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.700     1.700     1.700 peak     1 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.244 ppm2      9.091 CV     1
 ASSI {    2}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.100     1.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.244 ppm2      4.833 CV     1
 ASSI {    4}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak     4 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.242 ppm2      2.889 CV     1
 ASSI {    5}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.600     1.600     1.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.241 ppm2      1.375 CV     1
 ASSI {    6}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      3.300     3.300     2.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.245 ppm2      0.980 CV     1
 ASSI {    9}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak     9 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.237 ppm2      9.513 CV     1
 ASSI {   10}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak    10 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.241 ppm2      7.659 CV     1
 ASSI {   11}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HD% )
      3.900     1.900     1.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.239 ppm2      7.094 CV     1
 ASSI {   12}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.900     1.000     1.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.239 ppm2      5.442 CV     1
 ASSI {   13}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.700     0.900     0.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.240 ppm2      3.041 CV     1
 ASSI {   17}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 16   and name HD2 ))
      2.500     2.500     3.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.632 ppm2      3.652 CV     1
 ASSI {   18}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB  ))
      3.200     1.300     1.300 peak    18 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.630 ppm2      1.719 CV     1
 ASSI {   19}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      2.500     2.500     3.500 peak    19 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.631 ppm2      0.783 CV     1
 ASSI {   21}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      3.600     1.600     1.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.628 ppm2      8.475 CV     1
 ASSI {   23}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.900     1.100     1.100 peak    23 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.629 ppm2      4.675 CV     1
 ASSI {   25}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
      2.500     2.500     3.500 peak    25 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.627 ppm2      4.227 CV     1
 ASSI {   27}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HB% )
      2.900     1.100     1.100 peak    27 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.630 ppm2      1.442 CV     1
 ASSI {   32}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.800     1.000     1.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.432 ppm2      9.696 CV     1
 ASSI {   35}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.400     1.400     1.400 peak    35 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.433 ppm2      5.914 CV     1
 ASSI {   37}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.800     1.000     1.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.435 ppm2      5.134 CV     1
 ASSI {   38}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.400     1.500     1.500 peak    38 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.433 ppm2      3.626 CV     1
 ASSI {   39}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.500     1.500     1.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.431 ppm2      3.477 CV     1
 ASSI {   40}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.900     1.000     1.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.432 ppm2      2.562 CV     1
 ASSI {   41}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.900     1.000     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.432 ppm2      1.334 CV     1
 OR {   41}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI {   43}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HD2%)
      3.700     1.700     1.700 peak    43 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.435 ppm2      0.039 CV     1
 OR {   43}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
 ASSI {   48}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
      3.100     1.200     1.200 peak    48 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.892 ppm2      2.071 CV     1
 ASSI {   49}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      3.200     1.300     1.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.893 ppm2      1.904 CV     1
 ASSI {   50}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
      2.500     2.500     3.500 peak    50 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.894 ppm2      0.905 CV     1
 ASSI {   52}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.200     1.300     1.300 peak    52 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.163 ppm2      8.520 CV     1
 ASSI {   53}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      3.500     1.600     1.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.163 ppm2      7.402 CV     1
 ASSI {   55}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.700     0.900     0.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.162 ppm2      7.925 CV     1
 ASSI {   58}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.000     1.100     1.100 peak    58 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.162 ppm2      4.032 CV     1
 ASSI {   61}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.400     1.400     1.400 peak    61 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.161 ppm2      1.311 CV     1
 OR {   61}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HG1 ))
 ASSI {   63}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      3.500     1.500     1.500 peak    63 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.160 ppm2      0.033 CV     1
 ASSI {   64}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.900     1.000     1.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.158 ppm2      4.324 CV     1
 ASSI {   65}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
      2.900     1.100     1.100 peak    65 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.158 ppm2      1.881 CV     1
 ASSI {   69}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak    69 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.063 ppm2      4.682 CV     1
 ASSI {   70}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.800     1.000     1.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.062 ppm2      4.366 CV     1
 ASSI {   71}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.600     0.800     0.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.062 ppm2      1.369 CV     1
 ASSI {   73}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.300     1.300     1.300 peak    73 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.061 ppm2      2.221 CV     1
 ASSI {   74}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.300     1.300     1.300 peak    74 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.061 ppm2      1.903 CV     1
 ASSI {   75}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.400     1.400 peak    75 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.860 ppm2      9.251 CV     1
 ASSI {   76}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak    76 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.861 ppm2      7.664 CV     1
 ASSI {   77}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.861 ppm2      5.478 CV     1
 ASSI {   78}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      3.100     1.200     1.200 peak    78 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.857 ppm2      0.993 CV     1
 ASSI {   82}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.858 ppm2      4.526 CV     1
 ASSI {   83}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      3.200     1.300     1.300 peak    83 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.858 ppm2      0.727 CV     1
 OR {   83}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {   84}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      3.400     1.500     1.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.856 ppm2      1.819 CV     1
 ASSI {   85}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 47   and name HB% )
      2.800     1.000     1.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.857 ppm2      1.368 CV     1
 ASSI {   86}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      2.500     2.500     3.500 peak    86 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.856 ppm2      0.829 CV     1
 ASSI {   88}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.000     1.100     1.100 peak    88 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.485 ppm2      8.204 CV     1
 ASSI {   89}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.900     1.100     1.100 peak    89 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.487 ppm2      4.981 CV     1
 ASSI {   90}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.700     0.900     0.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.484 ppm2      4.523 CV     1
 ASSI {   93}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.800     1.000     1.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.485 ppm2      2.376 CV     1
 ASSI {   94}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      3.500     1.500     1.500 peak    94 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.484 ppm2      1.714 CV     1
 ASSI {   95}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      2.500     2.500     3.500 peak    95 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.484 ppm2      0.833 CV     1
 ASSI {   98}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG12))
      3.800     1.800     1.800 peak    98 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.575 ppm2      0.481 CV     1
 ASSI {  101}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak   101 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.567 ppm2      5.550 CV     1
 ASSI {  102}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.900     1.000     1.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.565 ppm2      1.829 CV     1
 ASSI {  103}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.000     1.100     1.100 peak   103 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.566 ppm2      1.465 CV     1
 ASSI {  107}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      3.000     1.100     1.100 peak   107 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.564 ppm2      0.873 CV     1
 ASSI {  110}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      2.900     1.100     1.100 peak   110 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.753 ppm2      8.120 CV     1
 ASSI {  111}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.100     1.100 peak   111 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.754 ppm2      4.987 CV     1
 ASSI {  112}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.700     0.900     0.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.755 ppm2      4.177 CV     1
 ASSI {  114}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB  ))
      3.500     1.500     1.500 peak   114 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.756 ppm2      1.861 CV     1
 ASSI {  115}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 87   and name HG2%)
      3.200     1.200     1.200 peak   115 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.753 ppm2      0.825 CV     1
 ASSI {  116}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 87   and name HG1%)
      3.300     1.400     1.400 peak   116 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.756 ppm2      0.634 CV     1
 ASSI {  117}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.000     1.100     1.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.752 ppm2      4.406 CV     1
 ASSI {  118}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      3.100     1.200     1.200 peak   118 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.752 ppm2      2.547 CV     1
 ASSI {  129}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.500     1.600     1.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.324 ppm2      8.018 CV     1
 ASSI {  130}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD% )
      3.000     1.200     1.200 peak   130 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.323 ppm2      6.937 CV     1
 ASSI {  133}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      3.500     1.500     1.500 peak   133 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.324 ppm2      1.564 CV     1
 ASSI {  134}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      3.500     1.500     1.500 peak   134 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.323 ppm2      0.994 CV     1
 ASSI {  138}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.900     1.000     1.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.322 ppm2      2.686 CV     1
 OR {  138}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  139}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      2.900     1.100     1.100 peak   139 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.321 ppm2      1.818 CV     1
 ASSI {  140}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
      3.800     1.800     1.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.321 ppm2      1.383 CV     1
 ASSI {  145}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.600     1.600     1.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.501 ppm2      9.670 CV     1
 ASSI {  148}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
      4.400     2.400     1.600 peak   148 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.500 ppm2      0.748 CV     1
 ASSI {  150}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.000     1.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.247 ppm2      8.616 CV     1
 ASSI {  151}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.900     1.000     1.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.245 ppm2      4.968 CV     1
 ASSI {  152}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.100     1.200     1.200 peak   152 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.246 ppm2      4.690 CV     1
 ASSI {  153}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      3.200     1.300     1.300 peak   153 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.245 ppm2      1.889 CV     1
 ASSI {  154}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.600     1.600     1.600 peak   154 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.244 ppm2      1.760 CV     1
 OR {  154}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  156}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG11))
      3.200     1.300     1.300 peak   156 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.245 ppm2      1.193 CV     1
 ASSI {  159}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.500     1.600     1.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.375 ppm2      9.112 CV     1
 ASSI {  163}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.500     1.500     1.500 peak   163 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.372 ppm2      7.907 CV     1
 ASSI {  164}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.900     1.000     1.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.375 ppm2      4.891 CV     1
 ASSI {  165}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.900     1.100     1.100 peak   165 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.374 ppm2      4.760 CV     1
 ASSI {  166}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.200     1.300     1.300 peak   166 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.371 ppm2      2.465 CV     1
 OR {  166}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
 ASSI {  167}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 25   and name HB  ))
      2.500     2.500     3.500 peak   167 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.374 ppm2      1.584 CV     1
 ASSI {  169}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 85   and name HD2%)
      3.300     1.400     1.400 peak   169 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.376 ppm2      0.710 CV     1
 OR {  169}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
 ASSI {  173}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.014 ppm2      4.512 CV     1
 ASSI {  175}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      2.800     1.000     1.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.012 ppm2      1.563 CV     1
 ASSI {  176}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
      3.100     1.200     1.200 peak   176 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.014 ppm2      1.399 CV     1
 OR {  176}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI {  178}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      3.500     1.500     1.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.010 ppm2      1.145 CV     1
 ASSI {  180}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.300     1.300     1.300 peak   180 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.011 ppm2      0.756 CV     1
 OR {  180}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  181}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.400     1.400 peak   181 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.503 ppm2      8.891 CV     1
 ASSI {  182}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 24   and name HD2%)
      3.100     1.200     1.200 peak   182 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.502 ppm2      0.029 CV     1
 OR {  182}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
 ASSI {  183}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.501 ppm2      6.918 CV     1
 ASSI {  184}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.600     1.700     1.700 peak   184 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.499 ppm2      5.554 CV     1
 ASSI {  187}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.600     1.600     1.600 peak   187 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.495 ppm2      4.177 CV     1
 ASSI {  188}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.700     0.900     0.900 peak   188 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.500 ppm2      4.023 CV     1
 ASSI {  189}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG11))
      4.100     2.100     1.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.497 ppm2      0.630 CV     1
 ASSI {  190}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak   190 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.241 ppm2      9.094 CV     1
 ASSI {  192}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.600     1.600     1.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.111 ppm2      8.717 CV     1
 ASSI {  194}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.500     1.500 peak   194 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.105 ppm2      9.807 CV     1
 ASSI {  199}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.900     1.100     1.100 peak   199 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.106 ppm2      1.629 CV     1
 OR {  199}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 OR {  199}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI {  200}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      3.700     1.700     1.700 peak   200 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.107 ppm2      1.313 CV     1
 ASSI {  202}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 51   and name HG1%)
      3.300     1.400     1.400 peak   202 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.106 ppm2      0.832 CV     1
 ASSI {  206}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.800     1.000     1.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.729 ppm2      4.176 CV     1
 ASSI {  210}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB  ))
      2.900     1.100     1.100 peak   210 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.727 ppm2      1.855 CV     1
 ASSI {  211}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 87   and name HG2%)
      3.300     1.400     1.400 peak   211 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.726 ppm2      0.835 CV     1
 ASSI {  212}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 87   and name HG1%)
      3.000     1.100     1.100 peak   212 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.727 ppm2      0.620 CV     1
 ASSI {  213}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 25   and name HG11))
      3.700     1.700     1.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.689 ppm2      0.662 CV     1
 ASSI {  216}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      3.100     1.200     1.200 peak   216 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.686 ppm2      6.964 CV     1
 ASSI {  219}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.900     1.000     1.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.685 ppm2      5.832 CV     1
 ASSI {  221}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   221 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.684 ppm2      5.143 CV     1
 ASSI {  222}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.500     1.500 peak   222 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.687 ppm2      2.812 CV     1
 ASSI {  223}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.686 ppm2      2.565 CV     1
 ASSI {  224}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.500     1.500     1.500 peak   224 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.683 ppm2      1.832 CV     1
 ASSI {  225}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG1 ))
      3.400     1.400     1.400 peak   225 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.686 ppm2      1.332 CV     1
 OR {  225}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG2 ))
 ASSI {  226}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      3.500     3.500     2.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.685 ppm2      1.152 CV     1
 ASSI {  228}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 24   and name HD2%)
      3.100     3.100     2.900 peak   228 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.687 ppm2      0.040 CV     1
 ASSI {  229}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.900     1.000     1.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.137 ppm2      7.548 CV     1
 ASSI {  230}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      3.200     1.300     1.300 peak   230 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.132 ppm2      2.255 CV     1
 OR {  230}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
 ASSI {  232}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.120 ppm2      4.662 CV     1
 ASSI {  233}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.900     1.000     1.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.125 ppm2      2.979 CV     1
 ASSI {  234}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak   234 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.116 ppm2      3.809 CV     1
 ASSI {  237}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.100     1.200     1.200 peak   237 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.407 ppm2      7.529 CV     1
 ASSI {  238}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      3.200     1.300     1.300 peak   238 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.404 ppm2      7.127 CV     1
 ASSI {  243}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.000     1.100     1.100 peak   243 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.408 ppm2      4.359 CV     1
 ASSI {  244}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.400     1.400     1.400 peak   244 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.408 ppm2      3.634 CV     1
 ASSI {  246}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.900     1.100     1.100 peak   246 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.407 ppm2      2.508 CV     1
 ASSI {  248}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.400     1.500     1.500 peak   248 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.403 ppm2      3.815 CV     1
 ASSI {  250}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.800     1.800     1.800 peak   250 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.891 ppm2      9.068 CV     1
 ASSI {  252}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.800     1.000     1.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.894 ppm2      7.927 CV     1
 ASSI {  255}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.200     1.300     1.300 peak   255 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.891 ppm2      4.898 CV     1
 ASSI {  256}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.300     1.400     1.400 peak   256 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.897 ppm2      4.757 CV     1
 ASSI {  257}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.100     1.200     1.200 peak   257 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.892 ppm2      2.450 CV     1
 OR {  257}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
 ASSI {  258}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG  ))
      2.800     1.000     1.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.895 ppm2      1.706 CV     1
 ASSI {  259}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB  ))
      2.700     0.900     0.900 peak   259 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.894 ppm2      1.561 CV     1
 ASSI {  260}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.600     1.600     1.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.893 ppm2      1.349 CV     1
 OR {  260}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  261}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      3.600     1.700     1.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.893 ppm2      0.883 CV     1
 ASSI {  262}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
      3.700     1.700     1.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.895 ppm2      0.742 CV     1
 ASSI {  263}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG11))
      2.600     0.900     0.900 peak   263 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.896 ppm2      0.627 CV     1
 ASSI {  264}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HD2%)
      3.500     1.500     1.500 peak   264 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.893 ppm2      0.036 CV     1
 ASSI {  265}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      3.300     1.400     1.400 peak   265 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.889 ppm2      9.155 CV     1
 ASSI {  266}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      3.000     1.100     1.100 peak   266 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.484 ppm2      0.975 CV     1
 ASSI {  268}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.482 ppm2      8.319 CV     1
 ASSI {  269}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.200     1.300     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.482 ppm2      7.744 CV     1
 ASSI {  271}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.500     2.500     3.500 peak   271 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.483 ppm2      4.782 CV     1
 ASSI {  272}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.000     1.100     1.100 peak   272 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.483 ppm2      4.537 CV     1
 ASSI {  273}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB  ))
      3.200     1.200     1.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.482 ppm2      4.307 CV     1
 ASSI {  277}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.500     1.500 peak   277 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.700 ppm2      9.253 CV     1
 ASSI {  279}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.600     1.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.701 ppm2      8.315 CV     1
 ASSI {  280}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      3.100     3.100     2.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.695 ppm2      8.118 CV     1
 ASSI {  281}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     1.000     1.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.700 ppm2      4.692 CV     1
 ASSI {  283}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.600     1.600     1.600 peak   283 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.700 ppm2      3.827 CV     1
 OR {  283}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI {  285}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
      3.000     1.100     1.100 peak   285 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.697 ppm2      1.407 CV     1
 OR {  285}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  288}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.100     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.439 ppm2      8.642 CV     1
 ASSI {  290}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.000     1.100     1.100 peak   290 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.437 ppm2      7.726 CV     1
 ASSI {  291}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.200     1.300     1.300 peak   291 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.438 ppm2      4.761 CV     1
 ASSI {  292}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.900     1.100     1.100 peak   292 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.439 ppm2      4.366 CV     1
 ASSI {  293}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HD1 ))
      3.700     1.700     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.439 ppm2      3.869 CV     1
 ASSI {  296}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
      3.000     1.200     1.200 peak   296 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.439 ppm2      2.887 CV     1
 ASSI {  297}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      3.400     1.400     1.400 peak   297 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.438 ppm2      2.599 CV     1
 ASSI {  298}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.900     1.000     1.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.439 ppm2      2.326 CV     1
 ASSI {  299}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HG1 ))
      2.900     1.100     1.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.438 ppm2      1.805 CV     1
 ASSI {  300}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.500     1.500     1.500 peak   300 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.439 ppm2      1.620 CV     1
 ASSI {  302}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.900     1.000     1.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.412 ppm2      8.730 CV     1
 ASSI {  304}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.900     1.000     1.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.412 ppm2      7.898 CV     1
 ASSI {  305}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.200     1.200     1.200 peak   305 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.410 ppm2      7.729 CV     1
 ASSI {  306}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.300     1.400     1.400 peak   306 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.410 ppm2      4.972 CV     1
 ASSI {  308}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG1 ))
      3.300     1.300     1.300 peak   308 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.413 ppm2      2.236 CV     1
 OR {  308}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI {  317}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.600     1.700     1.700 peak   317 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.463 ppm2      2.142 CV     1
 ASSI {  318}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      3.500     3.500     2.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.463 ppm2      1.972 CV     1
 ASSI {  320}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG12))
      2.900     1.100     1.100 peak   320 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.463 ppm2      1.489 CV     1
 OR {  320}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG11))
 ASSI {  322}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      3.200     1.300     1.300 peak   322 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.462 ppm2      0.989 CV     1
 ASSI {  323}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      3.600     1.600     1.600 peak   323 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.462 ppm2      0.797 CV     1
 ASSI {  324}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.400     1.400     1.400 peak   324 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.393 ppm2      0.813 CV     1
 ASSI {  327}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      3.500     1.500     1.500 peak   327 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.395 ppm2      0.973 CV     1
 ASSI {  328}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.400     1.400     1.400 peak   328 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.393 ppm2      3.961 CV     1
 ASSI {  333}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.000     1.100     1.100 peak   333 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.292 ppm2      4.352 CV     1
 ASSI {  334}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HD1 ))
      2.900     1.100     1.100 peak   334 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.290 ppm2      3.809 CV     1
 ASSI {  335}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HD2 ))
      3.700     1.700     1.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.293 ppm2      3.616 CV     1
 ASSI {  336}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      2.900     1.100     1.100 peak   336 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.292 ppm2      2.231 CV     1
 ASSI {  339}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      3.400     1.400     1.400 peak   339 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.291 ppm2      1.704 CV     1
 OR {  339}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HD1 ))
 ASSI {  341}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HD1%)
      3.200     1.300     1.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.519 ppm2      0.682 CV     1
 ASSI {  343}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     2.900     3.100 peak   343 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.510 ppm2      9.294 CV     1
 ASSI {  344}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     0.900     0.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.513 ppm2      5.431 CV     1
 ASSI {  345}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     0.900     0.900 peak   345 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.511 ppm2      5.225 CV     1
 ASSI {  346}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.200     1.300     1.300 peak   346 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.517 ppm2      3.035 CV     1
 ASSI {  348}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 51   and name HG1%)
      3.400     1.500     1.500 peak   348 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.512 ppm2      0.838 CV     1
 ASSI {  350}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG  ))
      3.200     1.300     1.300 peak   350 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.510 ppm2      1.665 CV     1
 OR {  350}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
 ASSI {  353}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   353 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.886 ppm2      8.663 CV     1
 ASSI {  355}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      2.900     1.100     1.100 peak   355 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.886 ppm2      1.660 CV     1
 OR {  355}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG  ))
 ASSI {  359}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.600     1.600     1.600 peak   359 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.878 ppm2      9.502 CV     1
 ASSI {  361}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 75   and name HG11))
      3.200     3.200     2.800 peak   361 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.880 ppm2      1.134 CV     1
 OR {  361}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 75   and name HG12))
 OR {  361}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
 ASSI {  362}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   362 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.647 ppm2      4.762 CV     1
 ASSI {  363}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
      3.200     1.300     1.300 peak   363 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.647 ppm2      2.888 CV     1
 ASSI {  364}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HG1 ))
      3.600     1.600     1.600 peak   364 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.647 ppm2      1.805 CV     1
 ASSI {  365}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.000     1.100     1.100 peak   365 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.645 ppm2      9.092 CV     1
 ASSI {  368}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      3.200     1.300     1.300 peak   368 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.643 ppm2      2.599 CV     1
 ASSI {  369}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
      3.500     1.500     1.500 peak   369 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.645 ppm2      2.198 CV     1
 ASSI {  372}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.300     1.300     1.300 peak   372 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.309 ppm2      3.075 CV     1
 OR {  372}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
 ASSI {  375}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.886 ppm2      4.513 CV     1
 ASSI {  376}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.600     1.600     1.600 peak   376 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.880 ppm2      9.329 CV     1
 ASSI {  377}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HD1%)
      3.300     1.300     1.300 peak   377 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.308 ppm2      0.708 CV     1
 OR {  377}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HD2%)
 ASSI {  378}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      2.700     0.900     0.900 peak   378 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.660 ppm2      1.662 CV     1
 ASSI {  379}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.800     1.000     1.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.045 ppm2      8.887 CV     1
 ASSI {  380}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.500     1.500     1.500 peak   380 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.040 ppm2      9.327 CV     1
 ASSI {  383}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      3.400     1.500     1.500 peak   383 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.044 ppm2      8.030 CV     1
 ASSI {  384}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HD% )
      3.300     1.400     1.400 peak   384 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.043 ppm2      6.930 CV     1
 ASSI {  387}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      3.200     1.300     1.300 peak   387 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.043 ppm2      2.920 CV     1
 ASSI {  388}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.000     1.200     1.200 peak   388 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.043 ppm2      2.705 CV     1
 OR {  388}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  389}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      3.600     1.600     1.600 peak   389 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.044 ppm2      1.989 CV     1
 ASSI {  390}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.500     0.800     0.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.044 ppm2      1.756 CV     1
 ASSI {  391}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      3.800     1.800     1.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.043 ppm2      1.015 CV     1
 ASSI {  392}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      2.500     2.500     3.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.042 ppm2      0.730 CV     1
 ASSI {  393}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.400     1.500     1.500 peak   393 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.664 ppm2      8.038 CV     1
 ASSI {  394}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.800     1.000     1.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.663 ppm2      2.753 CV     1
 ASSI {  395}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.000     3.000     3.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.663 ppm2      2.721 CV     1
 ASSI {  397}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 48   and name HD2%)
      3.000     1.100     1.100 peak   397 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.665 ppm2      0.665 CV     1
 OR {  397}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 48   and name HD1%)
 ASSI {  398}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.000     1.100     1.100 peak   398 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.664 ppm2     -0.176 CV     1
 ASSI {  401}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.400     1.500     1.500 peak   401 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.661 ppm2      7.542 CV     1
 ASSI {  402}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD% )
      3.200     1.300     1.300 peak   402 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.660 ppm2      6.737 CV     1
 ASSI {  404}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.200     1.300     1.300 peak   404 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.662 ppm2      5.220 CV     1
 ASSI {  405}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.900     1.000     1.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.661 ppm2      3.928 CV     1
 ASSI {  406}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      3.200     1.300     1.300 peak   406 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.662 ppm2      1.145 CV     1
 ASSI {  407}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 51   and name HG1%)
      2.500     2.500     3.500 peak   407 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.662 ppm2      0.827 CV     1
 ASSI {  414}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.900     1.000     1.000 peak   414 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.313 ppm2      1.760 CV     1
 ASSI {  415}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.100     1.200     1.200 peak   415 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.313 ppm2      1.562 CV     1
 ASSI {  416}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      3.200     1.300     1.300 peak   416 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.313 ppm2      0.968 CV     1
 ASSI {  419}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.300     3.300     2.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.312 ppm2      4.563 CV     1
 ASSI {  420}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB  ))
      3.400     3.400     2.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.311 ppm2      4.304 CV     1
 ASSI {  421}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HD2 ))
      2.300     0.600     0.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.310 ppm2      3.602 CV     1
 ASSI {  422}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      4.100     2.100     1.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.304 ppm2      1.905 CV     1
 ASSI {  424}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.300     1.300     1.300 peak   424 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.234 ppm2      4.580 CV     1
 ASSI {  426}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.400     1.500     1.500 peak   426 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.235 ppm2      4.264 CV     1
 ASSI {  428}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB1 ))
      3.700     1.700     1.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.233 ppm2      2.271 CV     1
 ASSI {  429}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HG1 ))
      3.800     1.800     1.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.232 ppm2      2.007 CV     1
 ASSI {  431}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HG11))
      3.000     1.100     1.100 peak   431 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.234 ppm2      1.507 CV     1
 ASSI {  432}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 94   and name HG2%)
      3.400     1.500     1.500 peak   432 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.234 ppm2      1.197 CV     1
 ASSI {  433}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
      3.800     1.800     1.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.234 ppm2      0.911 CV     1
 ASSI {  434}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.700     3.700     2.300 peak   434 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.125 ppm2      4.216 CV     1
 ASSI {  436}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      2.900     1.100     1.100 peak   436 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.111 ppm2      4.687 CV     1
 ASSI {  438}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 91   and name HD2 ))
      3.300     1.400     1.400 peak   438 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.113 ppm2      3.783 CV     1
 ASSI {  439}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
      3.100     1.200     1.200 peak   439 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.111 ppm2      2.921 CV     1
 ASSI {  440}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      3.300     1.400     1.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.114 ppm2      2.545 CV     1
 ASSI {  441}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HG1 ))
      3.100     1.200     1.200 peak   441 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.113 ppm2      2.299 CV     1
 OR {  441}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HG2 ))
 ASSI {  442}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      3.400     1.400     1.400 peak   442 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.113 ppm2      2.082 CV     1
 ASSI {  443}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      3.000     1.100     1.100 peak   443 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.111 ppm2      1.892 CV     1
 ASSI {  444}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 87   and name HG2%)
      3.200     1.300     1.300 peak   444 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.113 ppm2      0.830 CV     1
 ASSI {  448}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.748 ppm2      8.518 CV     1
 ASSI {  449}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.749 ppm2      8.186 CV     1
 ASSI {  451}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.000     1.100     1.100 peak   451 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.746 ppm2      6.913 CV     1
 ASSI {  453}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.000     1.100     1.100 peak   453 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.749 ppm2      4.484 CV     1
 ASSI {  454}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.800     1.800     1.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.742 ppm2      4.192 CV     1
 ASSI {  455}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak   455 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.749 ppm2      1.986 CV     1
 OR {  455}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {  456}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HD1 ))
      2.700     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.746 ppm2      1.528 CV     1
 OR {  456}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  459}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.000     1.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      6.904 ppm2      4.192 CV     1
 ASSI {  460}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      6.905 ppm2      3.701 CV     1
 ASSI {  461}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HG2%)
      3.800     1.800     1.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      6.905 ppm2      0.228 CV     1
 ASSI {  462}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.000     1.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      6.902 ppm2      8.192 CV     1
 ASSI {  468}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 83   and name HG2 ))
      2.500     2.500     3.500 peak   468 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      6.903 ppm2      1.222 CV     1
 ASSI {  469}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      2.900     1.000     1.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      6.901 ppm2      0.875 CV     1
 ASSI {  470}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG12))
      2.800     1.000     1.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      6.901 ppm2      0.488 CV     1
 ASSI {  474}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.400     1.400 peak   474 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.302 ppm2      9.136 CV     1
 ASSI {  475}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.400     1.400     1.400 peak   475 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.306 ppm2      8.609 CV     1
 ASSI {  476}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.200     3.200     2.800 peak   476 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.299 ppm2      5.440 CV     1
 ASSI {  477}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.600     0.900     0.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.303 ppm2      4.922 CV     1
 ASSI {  480}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 51   and name HB  ))
      3.600     3.600     2.400 peak   480 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.299 ppm2      2.090 CV     1
 ASSI {  482}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.600     3.600     2.400 peak   482 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.299 ppm2      1.580 CV     1
 OR {  482}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI {  483}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
      3.400     3.400     2.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.299 ppm2      1.414 CV     1
 ASSI {  484}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      3.200     3.200     2.800 peak   484 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.301 ppm2      1.272 CV     1
 ASSI {  485}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HD1%)
      2.800     1.000     1.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.301 ppm2      0.827 CV     1
 OR {  485}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
 ASSI {  486}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 48   and name HD1%)
      3.200     1.300     1.300 peak   486 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.299 ppm2      0.683 CV     1
 OR {  486}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 48   and name HD2%)
 ASSI {  489}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.000     1.100     1.100 peak   489 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.928 ppm2      2.714 CV     1
 OR {  489}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  490}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      3.800     1.800     1.800 peak   490 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.929 ppm2      1.012 CV     1
 ASSI {  492}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.800     1.000     1.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.933 ppm2      4.524 CV     1
 ASSI {  493}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.800     1.000     1.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.931 ppm2      9.329 CV     1
 ASSI {  496}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      2.800     1.000     1.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.929 ppm2      1.818 CV     1
 ASSI {  497}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      3.100     1.200     1.200 peak   497 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.930 ppm2      0.732 CV     1
 OR {  497}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
 ASSI {  503}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   503 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.096 ppm2      5.136 CV     1
 ASSI {  504}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.800     1.000     1.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.097 ppm2      4.916 CV     1
 ASSI {  505}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.900     1.100     1.100 peak   505 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.097 ppm2      4.669 CV     1
 ASSI {  511}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 85   and name HD2%)
      2.500     2.500     3.500 peak   511 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.097 ppm2      0.709 CV     1
 ASSI {  516}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak   516 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.027 ppm2      7.406 CV     1
 ASSI {  519}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      3.900     1.900     1.900 peak   519 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.029 ppm2      0.629 CV     1
 ASSI {  521}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak   521 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.298 ppm2      8.449 CV     1
 ASSI {  523}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.000     1.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.298 ppm2      8.052 CV     1
 ASSI {  526}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
      3.200     1.300     1.300 peak   526 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.297 ppm2      2.203 CV     1
 OR {  526}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {  527}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.800     1.800     1.800 peak   527 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.297 ppm2      2.010 CV     1
 ASSI {  528}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.400     3.400     2.600 peak   528 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.298 ppm2      1.887 CV     1
 ASSI {  529}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.500     1.500     1.500 peak   529 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.301 ppm2      1.458 CV     1
 OR {  529}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  530}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 8    and name HD2%)
      2.500     2.500     3.500 peak   530 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.295 ppm2      0.710 CV     1
 ASSI {  537}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.500     3.500     2.500 peak   537 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.072 ppm2      4.650 CV     1
 ASSI {  539}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.000     1.100     1.100 peak   539 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.073 ppm2      4.123 CV     1
 ASSI {  540}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.200     1.300     1.300 peak   540 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.068 ppm2      2.667 CV     1
 ASSI {  541}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.300     1.400     1.400 peak   541 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.073 ppm2      2.508 CV     1
 ASSI {  542}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
      3.000     3.000     3.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.074 ppm2      2.111 CV     1
 ASSI {  544}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.073 ppm2      1.639 CV     1
 OR {  544}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
 ASSI {  545}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.400     3.400     2.600 peak   545 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.041 ppm2      2.685 CV     1
 OR {  545}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  547}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HD1 ))
      2.900     1.000     1.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.027 ppm2      3.816 CV     1
 OR {  547}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  548}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.500     2.500     3.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.027 ppm2      4.642 CV     1
 ASSI {  555}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA2 ))
      3.000     1.100     1.100 peak   555 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.403 ppm2      3.967 CV     1
 ASSI {  556}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      3.500     1.500     1.500 peak   556 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.402 ppm2      3.182 CV     1
 ASSI {  557}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      3.200     1.300     1.300 peak   557 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.400 ppm2      2.917 CV     1
 ASSI {  562}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak   562 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.397 ppm2      4.935 CV     1
 ASSI {  563}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak   563 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.396 ppm2      4.217 CV     1
 ASSI {  564}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.700     0.900     0.900 peak   564 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.397 ppm2      3.764 CV     1
 ASSI {  565}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA1 ))
      3.600     1.600     1.600 peak   565 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.397 ppm2      3.605 CV     1
 ASSI {  566}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG11))
      3.000     1.100     1.100 peak   566 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.398 ppm2      1.875 CV     1
 OR {  566}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
 ASSI {  567}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HG2%)
      3.100     1.200     1.200 peak   567 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.399 ppm2      0.607 CV     1
 OR {  567}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  572}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.200     1.300     1.300 peak   572 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.404 ppm2      8.877 CV     1
 ASSI {  573}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.000     1.100     1.100 peak   573 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.716 ppm2      9.491 CV     1
 ASSI {  576}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.400     1.500     1.500 peak   576 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.717 ppm2      2.695 CV     1
 ASSI {  577}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB  ))
      2.800     1.000     1.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.716 ppm2      2.058 CV     1
 ASSI {  579}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      3.500     1.600     1.600 peak   579 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.713 ppm2      1.141 CV     1
 ASSI {  580}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HG1%)
      3.000     1.100     1.100 peak   580 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.714 ppm2      0.828 CV     1
 ASSI {  581}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.710 ppm2      8.067 CV     1
 ASSI {  582}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.600     1.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.517 ppm2      9.508 CV     1
 ASSI {  584}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.600     3.600     2.400 peak   584 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.517 ppm2      4.180 CV     1
 ASSI {  585}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      3.000     1.100     1.100 peak   585 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.517 ppm2      3.185 CV     1
 ASSI {  593}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.800     1.000     1.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.515 ppm2      3.763 CV     1
 ASSI {  597}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HD1 ))
      3.100     1.200     1.200 peak   597 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.515 ppm2      1.499 CV     1
 OR {  597}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  598}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
      3.300     1.300     1.300 peak   598 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.514 ppm2      1.305 CV     1
 ASSI {  599}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 24   and name HD2%)
      3.700     1.700     1.700 peak   599 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.513 ppm2      0.036 CV     1
 OR {  599}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
 ASSI {  602}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.900     2.900     3.100 peak   602 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.552 ppm2      2.264 CV     1
 ASSI {  606}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.800     1.800     1.800 peak   606 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.544 ppm2      2.111 CV     1
 ASSI {  607}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HB  ))
      2.500     2.500     3.500 peak   607 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.541 ppm2      1.722 CV     1
 ASSI {  608}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.900     1.100     1.100 peak   608 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.537 ppm2      4.666 CV     1
 ASSI {  613}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.100     1.200     1.200 peak   613 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.094 ppm2      8.465 CV     1
 ASSI {  614}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.900     1.000     1.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.088 ppm2      4.800 CV     1
 ASSI {  615}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      3.100     1.200     1.200 peak   615 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.087 ppm2      4.380 CV     1
 ASSI {  617}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
      3.000     1.100     1.100 peak   617 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.087 ppm2      2.196 CV     1
 ASSI {  618}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      3.400     1.400     1.400 peak   618 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.083 ppm2      1.214 CV     1
 ASSI {  620}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 14   and name HA2 ))
      3.100     1.200     1.200 peak   620 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.091 ppm2      3.321 CV     1
 ASSI {  622}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
      3.100     1.200     1.200 peak   622 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.086 ppm2      4.214 CV     1
 ASSI {  624}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     3.300     2.700 peak   624 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.033 ppm2      9.420 CV     1
 ASSI {  627}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      3.400     1.500     1.500 peak   627 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.035 ppm2      6.972 CV     1
 ASSI {  629}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.400     3.400     2.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.031 ppm2      4.919 CV     1
 ASSI {  630}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.300     1.300     1.300 peak   630 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.033 ppm2      2.810 CV     1
 ASSI {  631}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.700     1.700     1.700 peak   631 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.034 ppm2      2.553 CV     1
 ASSI {  632}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.100     1.200     1.200 peak   632 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.034 ppm2      2.149 CV     1
 OR {  632}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  634}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      3.000     1.100     1.100 peak   634 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.035 ppm2      1.144 CV     1
 ASSI {  639}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 71   and name HB  ))
      3.200     1.300     1.300 peak   639 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.062 ppm2      3.811 CV     1
 ASSI {  641}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
      3.200     1.300     1.300 peak   641 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.063 ppm2      2.081 CV     1
 ASSI {  642}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.100     1.200     1.200 peak   642 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.062 ppm2      1.663 CV     1
 ASSI {  643}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
      3.100     1.200     1.200 peak   643 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.061 ppm2      1.401 CV     1
 ASSI {  645}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 51   and name HG1%)
      3.600     1.600     1.600 peak   645 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.061 ppm2      0.834 CV     1
 ASSI {  646}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.400     1.400 peak   646 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.053 ppm2      9.509 CV     1
 ASSI {  647}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.200     1.300     1.300 peak   647 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.056 ppm2      5.484 CV     1
 ASSI {  649}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.300     1.300     1.300 peak   649 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.219 ppm2      8.075 CV     1
 ASSI {  651}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.000     1.100     1.100 peak   651 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.220 ppm2      4.595 CV     1
 ASSI {  653}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB  ))
      3.000     1.200     1.200 peak   653 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.222 ppm2      3.846 CV     1
 ASSI {  654}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HG1 ))
      3.400     1.400     1.400 peak   654 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.221 ppm2      1.902 CV     1
 OR {  654}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HG2 ))
 ASSI {  655}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      3.200     1.300     1.300 peak   655 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.221 ppm2      1.623 CV     1
 OR {  655}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
 ASSI {  656}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 71   and name HG2%)
      3.300     1.400     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.221 ppm2      0.928 CV     1
 ASSI {  662}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.731 ppm2      4.978 CV     1
 ASSI {  664}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.000     1.100     1.100 peak   664 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.733 ppm2      4.299 CV     1
 ASSI {  665}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      3.000     1.100     1.100 peak   665 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.731 ppm2      4.122 CV     1
 ASSI {  666}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.700     1.700     1.700 peak   666 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.729 ppm2      3.317 CV     1
 ASSI {  667}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.900     1.900     1.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.732 ppm2      2.373 CV     1
 ASSI {  668}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.900     1.900     1.900 peak   668 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.734 ppm2      2.086 CV     1
 OR {  668}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  669}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.100     1.200     1.200 peak   669 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.731 ppm2      1.229 CV     1
 ASSI {  670}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      2.500     2.500     3.500 peak   670 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.730 ppm2      0.834 CV     1
 ASSI {  671}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.500     1.500 peak   671 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.727 ppm2      7.893 CV     1
 ASSI {  672}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.400     1.400     1.400 peak   672 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.642 ppm2      9.244 CV     1
 ASSI {  673}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      2.900     1.100     1.100 peak   673 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.638 ppm2      9.110 CV     1
 ASSI {  675}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.200     1.300     1.300 peak   675 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.641 ppm2      4.172 CV     1
 ASSI {  677}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.636 ppm2      5.517 CV     1
 ASSI {  678}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.100     1.200     1.200 peak   678 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.636 ppm2      3.619 CV     1
 ASSI {  679}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.900     1.100     1.100 peak   679 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.636 ppm2      3.477 CV     1
 ASSI {  680}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      2.900     1.000     1.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.637 ppm2      1.887 CV     1
 ASSI {  681}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HG12))
      3.200     1.300     1.300 peak   681 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.635 ppm2      1.393 CV     1
 ASSI {  682}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HG11))
      2.800     1.000     1.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.631 ppm2      1.210 CV     1
 ASSI {  685}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.304 ppm2      9.056 CV     1
 ASSI {  687}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.900     1.100     1.100 peak   687 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.305 ppm2      3.854 CV     1
 OR {  687}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  688}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.800     1.000     1.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.305 ppm2      3.574 CV     1
 ASSI {  690}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
      3.500     3.500     2.500 peak   690 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.309 ppm2      1.379 CV     1
 OR {  690}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  692}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.600     1.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.303 ppm2      9.304 CV     1
 ASSI {  693}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      3.100     1.200     1.200 peak   693 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.301 ppm2      4.575 CV     1
 ASSI {  694}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.000     1.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.303 ppm2      4.440 CV     1
 ASSI {  695}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.000     1.100     1.100 peak   695 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.303 ppm2      2.226 CV     1
 ASSI {  696}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.200     1.300     1.300 peak   696 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.286 ppm2      1.882 CV     1
 ASSI {  697}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.100     1.200     1.200 peak   697 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.803 ppm2      3.837 CV     1
 ASSI {  707}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
      2.900     1.000     1.000 peak   707 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.801 ppm2      1.604 CV     1
 OR {  707}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  722}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.900     1.000     1.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.918 ppm2      4.761 CV     1
 ASSI {  723}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      3.100     1.200     1.200 peak   723 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.917 ppm2      4.324 CV     1
 ASSI {  724}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.800     1.800     1.800 peak   724 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.916 ppm2      3.771 CV     1
 ASSI {  725}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.000     1.100     1.100 peak   725 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.918 ppm2      2.452 CV     1
 OR {  725}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
 ASSI {  726}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
      2.900     1.100     1.100 peak   726 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.916 ppm2      1.880 CV     1
 ASSI {  728}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.500     1.500     1.500 peak   728 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.918 ppm2      1.315 CV     1
 OR {  728}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HG1 ))
 ASSI {  729}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      3.500     1.500     1.500 peak   729 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.921 ppm2      0.888 CV     1
 ASSI {  731}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 82   and name HG2%)
      3.400     1.500     1.500 peak   731 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.918 ppm2      0.590 CV     1
 ASSI {  732}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      3.200     1.300     1.300 peak   732 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.917 ppm2      0.025 CV     1
 ASSI {  733}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.600     1.600     1.600 peak   733 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.911 ppm2      5.165 CV     1
 ASSI {  755}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.800     1.000     1.000 peak   755 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.744 ppm2      2.298 CV     1
 ASSI {  758}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.300     3.300     2.700 peak   758 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.734 ppm2      7.897 CV     1
 ASSI {  763}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
      3.200     3.200     2.800 peak   763 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.735 ppm2      4.205 CV     1
 ASSI {  765}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.400     1.500     1.500 peak   765 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.736 ppm2      1.892 CV     1
 ASSI {  766}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      3.100     1.200     1.200 peak   766 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.738 ppm2      1.234 CV     1
 ASSI {  768}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
      3.300     3.300     2.700 peak   768 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.306 ppm2      1.377 CV     1
 OR {  768}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  771}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      3.000     1.100     1.100 peak   771 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.299 ppm2      4.570 CV     1
 ASSI {  776}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.800     1.000     1.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.894 ppm2      4.777 CV     1
 ASSI {  778}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA1 ))
      3.000     1.100     1.100 peak   778 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.889 ppm2      4.077 CV     1
 ASSI {  779}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      3.100     1.200     1.200 peak   779 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.890 ppm2      1.179 CV     1
 ASSI {  780}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak   780 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.888 ppm2      8.210 CV     1
 ASSI {  783}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA2 ))
      2.900     1.000     1.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.888 ppm2      3.774 CV     1
 ASSI {  785}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      3.300     3.300     2.700 peak   785 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.888 ppm2      0.816 CV     1
 ASSI {  788}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.000     1.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.730 ppm2      8.202 CV     1
 ASSI {  789}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak   789 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.728 ppm2      7.897 CV     1
 ASSI {  791}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak   791 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.731 ppm2      4.790 CV     1
 ASSI {  793}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.300     1.400     1.400 peak   793 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.728 ppm2      2.479 CV     1
 ASSI {  794}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.700     1.700     1.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.730 ppm2      2.083 CV     1
 ASSI {  795}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.500     1.600     1.600 peak   795 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.719 ppm2      2.737 CV     1
 ASSI {  800}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak   800 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.891 ppm2      4.789 CV     1
 ASSI {  801}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   801 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.891 ppm2      4.155 CV     1
 ASSI {  803}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.700     0.900     0.900 peak   803 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.890 ppm2      2.464 CV     1
 ASSI {  804}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HG2 ))
      3.500     1.500     1.500 peak   804 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.892 ppm2      2.228 CV     1
 OR {  804}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HG1 ))
 ASSI {  807}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.100     1.200     1.200 peak   807 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.888 ppm2      8.188 CV     1
 ASSI {  808}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.500     1.500 peak   808 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.887 ppm2      4.311 CV     1
 ASSI {  813}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.900     1.100     1.100 peak   813 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.452 ppm2      8.201 CV     1
 ASSI {  817}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.100     3.100     2.900 peak   817 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.451 ppm2      1.943 CV     1
 ASSI {  818}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.400     3.400     2.600 peak   818 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.451 ppm2      4.783 CV     1
 ASSI {  826}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA1 ))
      2.700     0.900     0.900 peak   826 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.287 ppm2      3.606 CV     1
 ASSI {  829}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.900     1.000     1.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.542 ppm2      5.473 CV     1
 ASSI {  830}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   830 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.540 ppm2      3.817 CV     1
 ASSI {  831}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.600     1.600     1.600 peak   831 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.540 ppm2      2.976 CV     1
 ASSI {  833}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
      3.600     1.600     1.600 peak   833 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.539 ppm2      2.281 CV     1
 OR {  833}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
 ASSI {  834}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.100     1.200     1.200 peak   834 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.541 ppm2      2.011 CV     1
 OR {  834}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  835}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.100     1.200     1.200 peak   835 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.285 ppm2      8.877 CV     1
 ASSI {  837}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.800     1.000     1.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.286 ppm2      8.033 CV     1
 ASSI {  839}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.000     1.100     1.100 peak   839 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.285 ppm2      4.220 CV     1
 ASSI {  840}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      2.500     2.500     3.500 peak   840 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.285 ppm2      4.009 CV     1
 ASSI {  842}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      2.800     1.000     1.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.288 ppm2      1.993 CV     1
 ASSI {  843}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.200     1.300     1.300 peak   843 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.283 ppm2      1.769 CV     1
 ASSI {  848}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.000     1.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.869 ppm2      8.028 CV     1
 ASSI {  849}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.300     1.300 peak   849 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.871 ppm2      5.196 CV     1
 ASSI {  850}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.900     1.100     1.100 peak   850 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.869 ppm2      4.639 CV     1
 ASSI {  854}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      3.200     1.300     1.300 peak   854 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.869 ppm2      1.990 CV     1
 ASSI {  855}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.800     1.000     1.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.869 ppm2      1.754 CV     1
 ASSI {  856}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      3.300     1.400     1.400 peak   856 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.869 ppm2      1.010 CV     1
 ASSI {  857}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      3.400     1.500     1.500 peak   857 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.869 ppm2      0.690 CV     1
 ASSI {  865}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.100     1.200     1.200 peak   865 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.685 ppm2      7.537 CV     1
 ASSI {  867}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.600     1.700     1.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.685 ppm2      4.804 CV     1
 ASSI {  872}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA2 ))
      2.900     1.100     1.100 peak   872 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.684 ppm2      3.309 CV     1
 ASSI {  874}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
      3.300     1.400     1.400 peak   874 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.686 ppm2      2.155 CV     1
 OR {  874}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 57   and name HB1 ))
 OR {  874}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI {  878}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 65   and name HG2%)
      3.000     1.100     1.100 peak   878 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.686 ppm2      1.038 CV     1
 ASSI {  881}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.600     1.600     1.600 peak   881 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.192 ppm2      8.916 CV     1
 ASSI {  885}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.191 ppm2      5.198 CV     1
 ASSI {  888}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.200     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.191 ppm2      3.316 CV     1
 ASSI {  889}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.800     1.000     1.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.192 ppm2      2.379 CV     1
 ASSI {  891}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      3.400     1.400     1.400 peak   891 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.193 ppm2      0.730 CV     1
 OR {  891}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
 ASSI {  893}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.300     3.300     2.700 peak   893 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.180 ppm2      4.977 CV     1
 ASSI {  900}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     2.500     3.500 peak   900 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.202 ppm2      8.052 CV     1
 ASSI {  901}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.100     1.200     1.200 peak   901 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.204 ppm2      4.780 CV     1
 ASSI {  902}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA2 ))
      3.000     1.100     1.100 peak   902 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.206 ppm2      4.035 CV     1
 OR {  902}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA1 ))
 ASSI {  903}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   903 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.204 ppm2      4.316 CV     1
 ASSI {  912}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.900     1.100     1.100 peak   912 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.187 ppm2      4.473 CV     1
 ASSI {  917}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG1 ))
      3.400     1.400     1.400 peak   917 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.186 ppm2      2.003 CV     1
 OR {  917}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {  918}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HB  ))
      3.700     1.700     1.700 peak   918 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.183 ppm2      1.578 CV     1
 ASSI {  919}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HB% )
      3.400     1.400     1.400 peak   919 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.187 ppm2      1.413 CV     1
 ASSI {  920}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 83   and name HG1 ))
      3.100     1.200     1.200 peak   920 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.186 ppm2      1.260 CV     1
 OR {  920}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
 ASSI {  921}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      3.400     1.500     1.500 peak   921 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.186 ppm2      0.886 CV     1
 ASSI {  922}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.200     1.300     1.300 peak   922 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.180 ppm2      8.484 CV     1
 ASSI {  924}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.400     1.400     1.400 peak   924 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.654 ppm2      8.394 CV     1
 ASSI {  928}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 37   and name HD% )
      3.300     1.400     1.400 peak   928 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.656 ppm2      7.096 CV     1
 ASSI {  930}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.654 ppm2      4.417 CV     1
 ASSI {  931}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.900     1.900     1.900 peak   931 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.653 ppm2      2.889 CV     1
 ASSI {  934}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      3.300     1.300     1.300 peak   934 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.653 ppm2      0.966 CV     1
 OR {  934}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
 ASSI {  936}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak   936 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.652 ppm2      4.822 CV     1
 ASSI {  937}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      2.900     1.100     1.100 peak   937 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.650 ppm2      3.959 CV     1
 ASSI {  938}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.600     0.900     0.900 peak   938 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.652 ppm2      3.043 CV     1
 ASSI {  939}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.300     3.300     2.700 peak   939 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.652 ppm2      0.841 CV     1
 ASSI {  943}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak   943 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.592 ppm2      9.072 CV     1
 ASSI {  948}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.600     1.600     1.600 peak   948 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.593 ppm2      5.510 CV     1
 ASSI {  949}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA1 ))
      2.800     1.000     1.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.597 ppm2      4.663 CV     1
 ASSI {  950}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA2 ))
      2.900     1.000     1.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.595 ppm2      3.794 CV     1
 ASSI {  951}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG2 ))
      3.400     1.500     1.500 peak   951 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.596 ppm2      2.350 CV     1
 OR {  951}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG1 ))
 ASSI {  952}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.500     1.500     1.500 peak   952 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.593 ppm2      2.137 CV     1
 OR {  952}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  954}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.300     3.300     2.700 peak   954 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.595 ppm2      1.371 CV     1
 OR {  954}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
 ASSI {  955}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      3.200     1.300     1.300 peak   955 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.596 ppm2      1.183 CV     1
 ASSI {  959}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.700     1.700     1.700 peak   959 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.210 ppm2      8.479 CV     1
 ASSI {  962}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     2.500     3.500 peak   962 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.209 ppm2      8.059 CV     1
 ASSI {  964}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.100     1.200     1.200 peak   964 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.211 ppm2      4.782 CV     1
 ASSI {  966}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA1 ))
      3.100     1.200     1.200 peak   966 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.212 ppm2      4.053 CV     1
 OR {  966}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA2 ))
 ASSI {  972}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.500     2.500     3.500 peak   972 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.515 ppm2      4.930 CV     1
 ASSI {  973}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
      3.300     1.300     1.300 peak   973 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.516 ppm2      4.219 CV     1
 ASSI {  974}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 14   and name HA2 ))
      3.300     1.300     1.300 peak   974 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.517 ppm2      3.311 CV     1
 ASSI {  977}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA1 ))
      3.000     1.200     1.200 peak   977 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.516 ppm2      4.011 CV     1
 ASSI {  978}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     2.500     3.500 peak   978 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.513 ppm2      3.643 CV     1
 ASSI {  979}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 65   and name HG2%)
      3.100     3.100     2.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.512 ppm2      1.038 CV     1
 ASSI {  980}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.400     1.400     1.400 peak   980 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.026 ppm2      5.518 CV     1
 ASSI {  981}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.600     1.600     1.600 peak   981 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.552 ppm2      9.699 CV     1
 ASSI {  982}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      3.000     1.100     1.100 peak   982 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.295 ppm2      1.883 CV     1
 ASSI {  984}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.300     1.400     1.400 peak   984 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.744 ppm2      5.228 CV     1
 ASSI {  985}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     2.500     3.500 peak   985 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      6.906 ppm2      4.035 CV     1
 ASSI {  986}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.400     1.500     1.500 peak   986 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      6.906 ppm2      4.476 CV     1
 ASSI {  988}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.400     1.500     1.500 peak   988 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.024 ppm2      9.686 CV     1
 ASSI {  989}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.500     3.500     2.500 peak   989 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.071 ppm2      4.915 CV     1
 ASSI {  991}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.500     1.500     1.500 peak   991 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.190 ppm2      4.784 CV     1
 ASSI {  992}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.200     1.300     1.300 peak   992 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.867 ppm2      3.963 CV     1
 ASSI {  994}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   994 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.702 ppm2      5.221 CV     1
 ASSI {  995}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak   995 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.715 ppm2      4.920 CV     1
 ASSI {  996}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.400     3.400     2.600 peak   996 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.301 ppm2      3.638 CV     1
 ASSI {  998}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.600     1.600     1.600 peak   998 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.910 ppm2      5.225 CV     1
 ASSI {  999}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak   999 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.500 ppm2      4.386 CV     1
 ASSI { 1000}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 34   and name HA1 ))
      3.600     1.600     1.600 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.706 ppm2      4.637 CV     1
 ASSI {    4}
   (( segid "    " and resid 45   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
      2.600     0.800     0.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.992 ppm2      0.737 CV     1
 OR {    4}
   (( segid "    " and resid 45   and name HB  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {   89}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.700     2.700     3.300 peak    89 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.919 ppm2      4.252 CV     1
 OR {   89}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 14   and name HA1 ))
 OR {   89}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 14   and name HA1 ))
 ASSI {   99}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB1 ))
      2.400     0.700     0.700 peak    99 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.416 ppm2      2.262 CV     1
 OR {   99}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  100}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB2 ))
      2.800     1.000     1.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.415 ppm2      1.914 CV     1
 OR {  100}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  106}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB1 ))
      2.600     0.800     0.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.348 ppm2      1.872 CV     1
 OR {  106}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI {  107}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 22   and name HB  ))
      2.300     0.700     0.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.176 ppm2      1.863 CV     1
 OR {  107}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB  ))
 ASSI {  119}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      2.400     0.700     0.700 peak   119 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.173 ppm2      8.737 CV     1
 OR {  119}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI {  157}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.300     0.700     0.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.519 ppm2      8.879 CV     1
 OR {  157}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  159}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      2.500     0.800     0.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.519 ppm2      0.762 CV     1
 OR {  159}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  159}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
 ASSI {  171}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.400     0.700     0.700 peak   171 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.522 ppm2      8.477 CV     1
 OR {  171}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  197}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
      2.800     1.000     1.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.431 ppm2      0.803 CV     1
 OR {  197}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 87   and name HG2%)
 ASSI {  198}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 89   and name HB1 ))
      2.900     2.900     3.100 peak   198 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.414 ppm2      1.867 CV     1
 OR {  198}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 22   and name HB  ))
 OR {  198}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 89   and name HB1 ))
 ASSI {  202}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      3.000     1.100     1.100 peak   202 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.402 ppm2      4.694 CV     1
 OR {  202}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 89   and name HA  ))
 ASSI {  218}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG11))
      2.800     1.000     1.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.380 ppm2      1.471 CV     1
 OR {  218}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG12))
 OR {  218}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 66   and name HB% )
 ASSI {  224}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 83   and name HG1 ))
      2.700     0.900     0.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.037 ppm2      1.295 CV     1
 OR {  224}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 83   and name HB1 ))
 OR {  224}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI {  226}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
      2.900     1.000     1.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.034 ppm2      1.546 CV     1
 OR {  226}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 83   and name HD2 ))
 OR {  226}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HD1 ))
 OR {  226}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI {  260}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.600     0.900     0.900 peak   260 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.221 ppm2      4.014 CV     1
 OR {  260}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  274}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
      2.700     0.900     0.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.686 ppm2      0.799 CV     1
 OR {  274}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 22   and name HG2%)
 ASSI {  278}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      2.800     1.000     1.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.606 ppm2      0.733 CV     1
 OR {  278}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 8    and name HD2%)
 ASSI {  286}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG2 ))
      2.600     0.800     0.800 peak   286 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.212 ppm2      2.211 CV     1
 OR {  286}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
 OR {  286}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
 OR {  286}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG1 ))
 ASSI {  336}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.900     1.100     1.100 peak   336 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.935 ppm2      1.953 CV     1
 OR {  336}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
 OR {  336}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
 ASSI {  344}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak   344 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.268 ppm2      8.312 CV     1
 OR {  344}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  420}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.300     0.700     0.700 peak   420 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.482 ppm2      8.863 CV     1
 OR {  420}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  452}
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 76   and name HD1%)
      2.900     1.100     1.100 peak   452 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.697 ppm2      0.750 CV     1
 OR {  452}
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 46   and name HG1%)
 ASSI {  475}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.038 ppm2      8.196 CV     1
 OR {  475}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 13   and name HN  ))
 OR {  475}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 14   and name HN  ))
 OR {  475}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  476}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.900     1.100     1.100 peak   476 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.037 ppm2      4.325 CV     1
 OR {  476}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  476}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  497}
   (( segid "    " and resid 63   and name HD1 ))
   (( segid "    " and resid 63   and name HB2 ))
      2.600     0.800     0.800 peak   497 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.189 ppm2      1.733 CV     1
 OR {  497}
   (( segid "    " and resid 63   and name HD2 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  497}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  497}
   (( segid "    " and resid 78   and name HD1 ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI {  524}
   (( segid "    " and resid 50   and name HE1 ))
   (( segid "    " and resid 50   and name HG1 ))
      2.700     0.900     0.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.965 ppm2      1.429 CV     1
 OR {  524}
   (( segid "    " and resid 27   and name HE1 ))
   (  segid "    " and resid 28   and name HB% )
 ASSI {  579}
   (( segid "    " and resid 39   and name HB  ))
   (  segid "    " and resid 39   and name HD1%)
      2.700     0.900     0.900 peak   579 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.709 ppm2      0.823 CV     1
 OR {  579}
   (( segid "    " and resid 65   and name HB  ))
   (  segid "    " and resid 65   and name HD1%)
 ASSI {  654}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HA  ))
      2.500     0.800     0.800 peak   654 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.253 ppm2      4.390 CV     1
 OR {  654}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HA  ))
 OR {  654}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  656}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD1 ))
      2.900     1.100     1.100 peak   656 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.256 ppm2      3.815 CV     1
 OR {  656}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HD1 ))
 OR {  656}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD2 ))
 OR {  656}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HD1 ))
 ASSI {  657}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HD2 ))
      3.200     1.300     1.300 peak   657 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.257 ppm2      3.619 CV     1
 OR {  657}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HD1 ))
 OR {  657}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {  658}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.100     2.100     3.900 peak   658 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.256 ppm2      1.912 CV     1
 OR {  658}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HB2 ))
 OR {  658}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  658}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI {  660}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD1 ))
      3.200     1.300     1.300 peak   660 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.235 ppm2      3.803 CV     1
 OR {  660}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HD2 ))
 OR {  660}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  663}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak   663 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.873 ppm2      4.380 CV     1
 OR {  663}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  664}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HD2 ))
      3.000     1.200     1.200 peak   664 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.873 ppm2      3.614 CV     1
 OR {  664}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI {  668}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 91   and name HD1 ))
      3.000     1.100     1.100 peak   668 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.807 ppm2      3.617 CV     1
 OR {  668}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 93   and name HD2 ))
 ASSI {  690}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HD1 ))
      3.100     1.200     1.200 peak   690 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.876 ppm2      3.821 CV     1
 OR {  690}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HD1 ))
 OR {  690}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD2 ))
 OR {  690}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  737}
   (( segid "    " and resid 83   and name HD2 ))
   (( segid "    " and resid 83   and name HE1 ))
      2.500     0.800     0.800 peak   737 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.529 ppm2      2.920 CV     1
 OR {  737}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HE1 ))
 OR {  737}
   (( segid "    " and resid 83   and name HD2 ))
   (( segid "    " and resid 83   and name HE2 ))
 ASSI {  751}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 71   and name HB  ))
      2.800     2.800     3.200 peak   751 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.653 ppm2      3.813 CV     1
 OR {  751}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 34   and name HA2 ))
 ASSI {  752}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 83   and name HE2 ))
      2.500     0.800     0.800 peak   752 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.647 ppm2      2.947 CV     1
 OR {  752}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HE1 ))
 OR {  752}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 83   and name HE1 ))
 ASSI {  783}
   (( segid "    " and resid 39   and name HG12))
   (( segid "    " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak   783 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.986 ppm2      4.504 CV     1
 OR {  783}
   (( segid "    " and resid 39   and name HG12))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  802}
   (( segid "    " and resid 60   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
      3.200     1.300     1.300 peak   802 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.003 ppm2      4.355 CV     1
 OR {  802}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  802}
   (( segid "    " and resid 60   and name HG1 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI {  803}
   (( segid "    " and resid 93   and name HG1 ))
   (( segid "    " and resid 93   and name HD1 ))
      2.300     0.600     0.600 peak   803 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      2.000 ppm2      3.758 CV     1
 OR {  803}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HD1 ))
 ASSI {  805}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
      3.100     1.200     1.200 peak   805 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.926 ppm2      4.354 CV     1
 OR {  805}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HA  ))
 ASSI {  876}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HE1 ))
      2.700     0.900     0.900 peak   876 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.402 ppm2      2.961 CV     1
 OR {  876}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HE1 ))
 OR {  876}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HE1 ))
 ASSI {  924}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      3.100     1.200     1.200 peak   924 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.262 ppm2      5.463 CV     1
 OR {  924}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  935}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 60   and name HB1 ))
      3.000     1.200     1.200 peak   935 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.216 ppm2      2.138 CV     1
 OR {  935}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 57   and name HB1 ))
 OR {  935}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 57   and name HB2 ))
 ASSI {  944}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.367 ppm2      8.866 CV     1
 OR {  944}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  946}
   (  segid "    " and resid 47   and name HB% )
   (  segid "    " and resid 76   and name HD1%)
      2.800     1.000     1.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.366 ppm2      0.746 CV     1
 OR {  946}
   (  segid "    " and resid 47   and name HB% )
   (  segid "    " and resid 76   and name HG2%)
 OR {  946}
   (  segid "    " and resid 47   and name HB% )
   (  segid "    " and resid 46   and name HG1%)
 ASSI {  947}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.500     1.500 peak   947 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.363 ppm2      4.504 CV     1
 OR {  947}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  954}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      3.200     1.200     1.200 peak   954 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.012 ppm2      8.917 CV     1
 OR {  954}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI {  976}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 88   and name HN  ))
      2.800     1.000     1.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.829 ppm2      8.734 CV     1
 OR {  976}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 87   and name HN  ))
 ASSI {  982}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak   982 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.725 ppm2      8.898 CV     1
 OR {  982}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
 OR {  982}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1001}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 24   and name HB1 ))
      3.000     3.000     3.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.805 ppm2      1.356 CV     1
 OR { 1001}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 24   and name HB2 ))
 OR { 1001}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 21   and name HG2 ))
 ASSI { 1017}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 60   and name HB1 ))
      2.200     2.200     3.800 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.966 ppm2      2.101 CV     1
 OR { 1017}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 57   and name HB2 ))
 ASSI { 1041}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 65   and name HB  ))
      2.200     2.200     3.800 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.433 ppm2      1.732 CV     1
 OR { 1041}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 1118}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      2.600     2.600     3.400 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      0.796 ppm2      9.216 CV     1
 OR { 1118}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1145}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 35   and name HD1%)
      2.300     2.300     3.700 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.092 ppm2      0.808 CV     1
 OR { 1145}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI { 1167}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.100     3.100     2.900 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.978 ppm2      1.354 CV     1
 OR { 1167}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
 OR { 1167}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 1177}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG1 ))
      3.000     1.100     1.100 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.350 ppm2      1.838 CV     1
 OR { 1177}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1201}
   (( segid "    " and resid 31   and name HD1 ))
   (  segid "    " and resid 25   and name HD1%)
      2.300     2.300     3.700 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      3.172 ppm2      0.793 CV     1
 OR { 1201}
   (( segid "    " and resid 63   and name HD2 ))
   (  segid "    " and resid 65   and name HD1%)
 OR { 1201}
   (( segid "    " and resid 63   and name HD1 ))
   (  segid "    " and resid 65   and name HD1%)
 ASSI { 1237}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      1.818 ppm2      8.887 CV     1
 OR { 1237}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 1293}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 25   and name HB  ))
      2.900     2.900     3.100 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.192 ppm2      1.539 CV     1
 OR { 1293}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 1297}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 22   and name HG2%)
      3.100     3.100     2.900 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      5.912 ppm2      0.751 CV     1
 OR { 1297}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 35   and name HD1%)
 ASSI { 1302}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
      3.000     3.000     3.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.399 ppm2      4.514 CV     1
 OR { 1302}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1312}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.800     0.800 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.36084E-02 ppm1      4.637 ppm2      8.908 CV     1
 OR { 1312}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {    8}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      3.300     1.300     1.300 peak     8 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.243 ppm2      0.696 CV     1
 OR {    8}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 48   and name HD1%)
 ASSI {   34}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.500     1.600     1.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.431 ppm2      8.632 CV     1
 OR {   34}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {   42}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 85   and name HD2%)
      3.500     1.500     1.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.432 ppm2      0.737 CV     1
 OR {   42}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 OR {   42}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
 ASSI {   60}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.700     0.900     0.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.161 ppm2      1.528 CV     1
 OR {   60}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 25   and name HB  ))
 OR {   60}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HD2 ))
 ASSI {   66}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.400     1.400 peak    66 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.067 ppm2      9.259 CV     1
 OR {   66}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {   72}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      3.600     1.600     1.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.063 ppm2      0.832 CV     1
 OR {   72}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {   96}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      3.800     1.800     1.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.482 ppm2      0.991 CV     1
 OR {   96}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI {  100}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.400     1.500     1.500 peak   100 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.568 ppm2      6.920 CV     1
 OR {  100}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
 ASSI {  128}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.000     1.100     1.100 peak   128 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.322 ppm2      8.924 CV     1
 OR {  128}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  137}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      3.100     1.200     1.200 peak   137 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.321 ppm2      3.996 CV     1
 OR {  137}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HA2 ))
 ASSI {  143}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HB  ))
      3.000     1.100     1.100 peak   143 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.504 ppm2      1.575 CV     1
 OR {  143}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB  ))
 ASSI {  147}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.700     1.700     1.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.498 ppm2      1.360 CV     1
 OR {  147}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 31   and name HG2 ))
 OR {  147}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 31   and name HG1 ))
 ASSI {  155}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG12))
      3.200     1.300     1.300 peak   155 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.246 ppm2      1.404 CV     1
 OR {  155}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  170}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 25   and name HG11))
      3.100     3.100     2.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.369 ppm2      0.584 CV     1
 OR {  170}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 87   and name HG1%)
 ASSI {  231}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.000     1.100     1.100 peak   231 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.132 ppm2      2.021 CV     1
 OR {  231}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  231}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB  ))
 ASSI {  249}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.400     1.500     1.500 peak   249 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.892 ppm2      9.478 CV     1
 OR {  249}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  253}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak   253 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.894 ppm2      5.534 CV     1
 OR {  253}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  286}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      3.100     1.200     1.200 peak   286 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.698 ppm2      0.816 CV     1
 OR {  286}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 22   and name HG2%)
 ASSI {  307}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.413 ppm2      4.170 CV     1
 OR {  307}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
 ASSI {  316}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.900     1.000     1.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.464 ppm2      4.372 CV     1
 OR {  316}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  319}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB  ))
      3.100     1.200     1.200 peak   319 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.463 ppm2      1.732 CV     1
 OR {  319}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI {  337}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.700     1.700     1.700 peak   337 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.291 ppm2      1.971 CV     1
 OR {  337}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HG1 ))
 OR {  337}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  338}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB1 ))
      3.100     1.200     1.200 peak   338 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.291 ppm2      1.827 CV     1
 OR {  338}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
 ASSI {  347}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      3.100     1.200     1.200 peak   347 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.513 ppm2      1.263 CV     1
 OR {  347}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI {  351}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 47   and name HB% )
      3.400     1.400     1.400 peak   351 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.509 ppm2      1.400 CV     1
 OR {  351}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI {  354}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   354 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.885 ppm2      5.477 CV     1
 OR {  354}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  356}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HB% )
      3.500     1.600     1.600 peak   356 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.887 ppm2      1.364 CV     1
 OR {  356}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI {  358}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      3.700     1.700     1.700 peak   358 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.886 ppm2      0.698 CV     1
 OR {  358}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HD1%)
 OR {  358}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HD2%)
 ASSI {  373}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.900     1.100     1.100 peak   373 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.300 ppm2      4.596 CV     1
 OR {  373}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  374}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.100     1.200     1.200 peak   374 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.302 ppm2      1.505 CV     1
 OR {  374}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  374}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HG1 ))
 ASSI {  385}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak   385 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      9.044 ppm2      4.623 CV     1
 OR {  385}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  396}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
      3.400     1.500     1.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.663 ppm2      1.377 CV     1
 OR {  396}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 OR {  396}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 47   and name HB% )
 ASSI {  430}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB  ))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.233 ppm2      1.857 CV     1
 OR {  430}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
 ASSI {  447}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.100     1.100 peak   447 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.752 ppm2      4.027 CV     1
 OR {  447}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  514}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak   514 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.037 ppm2      4.224 CV     1
 OR {  514}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  515}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.800     1.000     1.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.035 ppm2      8.303 CV     1
 OR {  515}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {  517}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.100     1.100 peak   517 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.029 ppm2      4.924 CV     1
 OR {  517}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  525}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.000     1.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.299 ppm2      4.252 CV     1
 OR {  525}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  543}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HG2 ))
      3.400     1.400     1.400 peak   543 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.072 ppm2      1.904 CV     1
 OR {  543}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HG1 ))
 OR {  543}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  578}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.200     1.300     1.300 peak   578 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.719 ppm2      1.664 CV     1
 OR {  578}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI {  592}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.515 ppm2      4.031 CV     1
 OR {  592}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  594}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HE1 ))
      3.600     1.600     1.600 peak   594 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.514 ppm2      2.907 CV     1
 OR {  594}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 83   and name HE1 ))
 OR {  594}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 83   and name HE2 ))
 ASSI {  596}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.500     3.500     2.500 peak   596 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.513 ppm2      1.758 CV     1
 OR {  596}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HG  ))
 ASSI {  636}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.100     1.100 peak   636 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.061 ppm2      8.710 CV     1
 OR {  636}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  691}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      3.300     1.400     1.400 peak   691 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.305 ppm2      0.834 CV     1
 OR {  691}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 22   and name HG2%)
 ASSI {  727}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 25   and name HB  ))
      2.800     1.000     1.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.919 ppm2      1.541 CV     1
 OR {  727}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI {  730}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
      3.600     1.700     1.700 peak   730 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.918 ppm2      0.729 CV     1
 OR {  730}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 85   and name HD2%)
 ASSI {  814}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   814 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.452 ppm2      4.307 CV     1
 OR {  814}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  816}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
      2.800     2.800     3.200 peak   816 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.452 ppm2      2.198 CV     1
 OR {  816}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HG2 ))
 OR {  816}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
 ASSI {  832}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.100     1.200     1.200 peak   832 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.541 ppm2      2.699 CV     1
 OR {  832}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  838}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     2.600     3.400 peak   838 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.284 ppm2      4.775 CV     1
 OR {  838}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI {  869}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.300     3.300     2.700 peak   869 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.684 ppm2      4.384 CV     1
 OR {  869}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
 ASSI {  873}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 57   and name HG1 ))
      3.400     3.400     2.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.686 ppm2      2.273 CV     1
 OR {  873}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  886}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.400     1.400 peak   886 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.192 ppm2      4.517 CV     1
 OR {  886}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  897}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.400     1.400     1.400 peak   897 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.211 ppm2      3.768 CV     1
 OR {  897}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 55   and name HA2 ))
 ASSI {  914}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak   914 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.186 ppm2      4.040 CV     1
 OR {  914}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  929}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.600     1.700     1.700 peak   929 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.658 ppm2      5.452 CV     1
 OR {  929}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  935}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak   935 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.652 ppm2      8.863 CV     1
 OR {  935}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  940}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      3.200     1.300     1.300 peak   940 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.652 ppm2      0.726 CV     1
 OR {  940}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 48   and name HD1%)
 OR {  940}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  953}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      3.100     3.100     2.900 peak   953 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.593 ppm2      1.883 CV     1
 OR {  953}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
 ASSI {  956}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 51   and name HG1%)
      3.600     1.600     1.600 peak   956 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.595 ppm2      0.807 CV     1
 OR {  956}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 22   and name HG2%)
 OR {  956}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 35   and name HD1%)
 ASSI {  965}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     3.000     3.000 peak   965 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.211 ppm2      4.312 CV     1
 OR {  965}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  967}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 55   and name HA2 ))
      3.400     1.400     1.400 peak   967 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.212 ppm2      3.782 CV     1
 OR {  967}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI {  990}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.500     3.500     2.500 peak   990 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      7.729 ppm2      3.933 CV     1
 OR {  990}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
 OR {  990}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 79   and name HA2 ))
 ASSI {  993}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 34   and name HA2 ))
      3.800     1.800     1.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.17182E-02 ppm1      8.712 ppm2      3.802 CV     1
 OR {  993}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 71   and name HB  ))

DIHEDRAL TABLE
! phi residue     20
assign (resid   19 and name C)  (resid   20 and name N)
       (resid   20 and name CA) (resid   20 and name C) 1.0  -75.0   30.0 2
! psi residue     20
assign (resid   20 and name N)  (resid   20 and name CA)
       (resid   20 and name C)  (resid   21 and name N) 1.0  139.0   30.0 2
! phi residue     21
assign (resid   20 and name C)  (resid   21 and name N)
       (resid   21 and name CA) (resid   21 and name C) 1.0  -99.0   42.5 2
! psi residue     21
assign (resid   21 and name N)  (resid   21 and name CA)
       (resid   21 and name C)  (resid   22 and name N) 1.0  118.0   37.5 2
! phi residue     22
assign (resid   21 and name C)  (resid   22 and name N)
       (resid   22 and name CA) (resid   22 and name C) 1.0 -123.0   30.0 2
! psi residue     22
assign (resid   22 and name N)  (resid   22 and name CA)
       (resid   22 and name C)  (resid   23 and name N) 1.0  145.0   50.0 2
! phi residue     23
assign (resid   22 and name C)  (resid   23 and name N)
       (resid   23 and name CA) (resid   23 and name C) 1.0 -109.0   35.0 2
! psi residue     23
assign (resid   23 and name N)  (resid   23 and name CA)
       (resid   23 and name C)  (resid   24 and name N) 1.0  119.0   32.5 2
! phi residue     24
assign (resid   23 and name C)  (resid   24 and name N)
       (resid   24 and name CA) (resid   24 and name C) 1.0 -124.0   27.5 2
! psi residue     24
assign (resid   24 and name N)  (resid   24 and name CA)
       (resid   24 and name C)  (resid   25 and name N) 1.0  134.0   27.5 2
! phi residue     25
assign (resid   24 and name C)  (resid   25 and name N)
       (resid   25 and name CA) (resid   25 and name C) 1.0 -117.0   25.0 2
! psi residue     25
assign (resid   25 and name N)  (resid   25 and name CA)
       (resid   25 and name C)  (resid   26 and name N) 1.0  123.0   25.0 2
! phi residue     26
assign (resid   25 and name C)  (resid   26 and name N)
       (resid   26 and name CA) (resid   26 and name C) 1.0  -90.0   25.0 2
! psi residue     26
assign (resid   26 and name N)  (resid   26 and name CA)
       (resid   26 and name C)  (resid   27 and name N) 1.0  170.0   25.0 2
! phi residue     27
assign (resid   26 and name C)  (resid   27 and name N)
       (resid   27 and name CA) (resid   27 and name C) 1.0  -66.0   25.0 2
! psi residue     27
assign (resid   27 and name N)  (resid   27 and name CA)
       (resid   27 and name C)  (resid   28 and name N) 1.0  -20.0   25.0 2
! phi residue     28
assign (resid   27 and name C)  (resid   28 and name N)
       (resid   28 and name CA) (resid   28 and name C) 1.0  -92.0   27.5 2
! psi residue     28
assign (resid   28 and name N)  (resid   28 and name CA)
       (resid   28 and name C)  (resid   29 and name N) 1.0   12.0   35.0 2
! phi residue     30
assign (resid   29 and name C)  (resid   30 and name N)
       (resid   30 and name CA) (resid   30 and name C) 1.0  -86.0   35.0 2
! psi residue     30
assign (resid   30 and name N)  (resid   30 and name CA)
       (resid   30 and name C)  (resid   31 and name N) 1.0  129.0   45.0 2
! phi residue     31
assign (resid   30 and name C)  (resid   31 and name N)
       (resid   31 and name CA) (resid   31 and name C) 1.0 -124.0   52.5 2
! psi residue     31
assign (resid   31 and name N)  (resid   31 and name CA)
       (resid   31 and name C)  (resid   32 and name N) 1.0  144.0   47.5 2
! phi residue     32
assign (resid   31 and name C)  (resid   32 and name N)
       (resid   32 and name CA) (resid   32 and name C) 1.0 -116.0   47.5 2
! psi residue     32
assign (resid   32 and name N)  (resid   32 and name CA)
       (resid   32 and name C)  (resid   33 and name N) 1.0  135.0   35.0 2
! phi residue     33
assign (resid   32 and name C)  (resid   33 and name N)
       (resid   33 and name CA) (resid   33 and name C) 1.0 -133.0   27.5 2
! psi residue     33
assign (resid   33 and name N)  (resid   33 and name CA)
       (resid   33 and name C)  (resid   34 and name N) 1.0  155.0   27.5 2
! phi residue     35
assign (resid   34 and name C)  (resid   35 and name N)
       (resid   35 and name CA) (resid   35 and name C) 1.0 -100.0   50.0 2
! psi residue     35
assign (resid   35 and name N)  (resid   35 and name CA)
       (resid   35 and name C)  (resid   36 and name N) 1.0  130.0   35.0 2
! phi residue     36
assign (resid   35 and name C)  (resid   36 and name N)
       (resid   36 and name CA) (resid   36 and name C) 1.0  -71.0   27.5 2
! psi residue     36
assign (resid   36 and name N)  (resid   36 and name CA)
       (resid   36 and name C)  (resid   37 and name N) 1.0  126.0   30.0 2
! phi residue     38
assign (resid   37 and name C)  (resid   38 and name N)
       (resid   38 and name CA) (resid   38 and name C) 1.0 -155.0   45.0 2
! psi residue     38
assign (resid   38 and name N)  (resid   38 and name CA)
       (resid   38 and name C)  (resid   39 and name N) 1.0  158.0   45.0 2
! phi residue     39
assign (resid   38 and name C)  (resid   39 and name N)
       (resid   39 and name CA) (resid   39 and name C) 1.0 -116.0   47.5 2
! psi residue     39
assign (resid   39 and name N)  (resid   39 and name CA)
       (resid   39 and name C)  (resid   40 and name N) 1.0  131.0   25.0 2
! phi residue     40
assign (resid   39 and name C)  (resid   40 and name N)
       (resid   40 and name CA) (resid   40 and name C) 1.0  -94.0   30.0 2
! psi residue     40
assign (resid   40 and name N)  (resid   40 and name CA)
       (resid   40 and name C)  (resid   41 and name N) 1.0  116.0   35.0 2
! phi residue     41
assign (resid   40 and name C)  (resid   41 and name N)
       (resid   41 and name CA) (resid   41 and name C) 1.0  -62.0   25.0 2
! psi residue     41
assign (resid   41 and name N)  (resid   41 and name CA)
       (resid   41 and name C)  (resid   42 and name N) 1.0  -25.0   30.0 2
! phi residue     42
assign (resid   41 and name C)  (resid   42 and name N)
       (resid   42 and name CA) (resid   42 and name C) 1.0  -68.0   25.0 2
! psi residue     42
assign (resid   42 and name N)  (resid   42 and name CA)
       (resid   42 and name C)  (resid   43 and name N) 1.0  -31.0   25.0 2
! phi residue     43
assign (resid   42 and name C)  (resid   43 and name N)
       (resid   43 and name CA) (resid   43 and name C) 1.0  -98.0   30.0 2
! psi residue     43
assign (resid   43 and name N)  (resid   43 and name CA)
       (resid   43 and name C)  (resid   44 and name N) 1.0    1.0   25.0 2
! phi residue     45
assign (resid   44 and name C)  (resid   45 and name N)
       (resid   45 and name CA) (resid   45 and name C) 1.0 -114.0   67.5 2
! psi residue     45
assign (resid   45 and name N)  (resid   45 and name CA)
       (resid   45 and name C)  (resid   46 and name N) 1.0  151.0   32.5 2
! phi residue     46
assign (resid   45 and name C)  (resid   46 and name N)
       (resid   46 and name CA) (resid   46 and name C) 1.0 -131.0   32.5 2
! psi residue     46
assign (resid   46 and name N)  (resid   46 and name CA)
       (resid   46 and name C)  (resid   47 and name N) 1.0  132.0   40.0 2
! phi residue     47
assign (resid   46 and name C)  (resid   47 and name N)
       (resid   47 and name CA) (resid   47 and name C) 1.0 -116.0   37.5 2
! psi residue     47
assign (resid   47 and name N)  (resid   47 and name CA)
       (resid   47 and name C)  (resid   48 and name N) 1.0  132.0   32.5 2
! phi residue     48
assign (resid   47 and name C)  (resid   48 and name N)
       (resid   48 and name CA) (resid   48 and name C) 1.0 -130.0   30.0 2
! psi residue     48
assign (resid   48 and name N)  (resid   48 and name CA)
       (resid   48 and name C)  (resid   49 and name N) 1.0  144.0   30.0 2
! phi residue     49
assign (resid   48 and name C)  (resid   49 and name N)
       (resid   49 and name CA) (resid   49 and name C) 1.0 -123.0   50.0 2
! psi residue     49
assign (resid   49 and name N)  (resid   49 and name CA)
       (resid   49 and name C)  (resid   50 and name N) 1.0  145.0   42.5 2
! phi residue     51
assign (resid   50 and name C)  (resid   51 and name N)
       (resid   51 and name CA) (resid   51 and name C) 1.0 -110.0   40.0 2
! psi residue     51
assign (resid   51 and name N)  (resid   51 and name CA)
       (resid   51 and name C)  (resid   52 and name N) 1.0  146.0   27.5 2
! phi residue     52
assign (resid   51 and name C)  (resid   52 and name N)
       (resid   52 and name CA) (resid   52 and name C) 1.0 -122.0   45.0 2
! psi residue     52
assign (resid   52 and name N)  (resid   52 and name CA)
       (resid   52 and name C)  (resid   53 and name N) 1.0  138.0   45.0 2
! phi residue     53
assign (resid   52 and name C)  (resid   53 and name N)
       (resid   53 and name CA) (resid   53 and name C) 1.0 -109.0   55.0 2
! psi residue     53
assign (resid   53 and name N)  (resid   53 and name CA)
       (resid   53 and name C)  (resid   54 and name N) 1.0  133.0   52.5 2
! phi residue     64
assign (resid   63 and name C)  (resid   64 and name N)
       (resid   64 and name CA) (resid   64 and name C) 1.0  -69.0   57.5 2
! psi residue     64
assign (resid   64 and name N)  (resid   64 and name CA)
       (resid   64 and name C)  (resid   65 and name N) 1.0  143.0   55.0 2
! phi residue     65
assign (resid   64 and name C)  (resid   65 and name N)
       (resid   65 and name CA) (resid   65 and name C) 1.0 -114.0   25.0 2
! psi residue     65
assign (resid   65 and name N)  (resid   65 and name CA)
       (resid   65 and name C)  (resid   66 and name N) 1.0  125.0   25.0 2
! phi residue     66
assign (resid   65 and name C)  (resid   66 and name N)
       (resid   66 and name CA) (resid   66 and name C) 1.0  -75.0   25.0 2
! psi residue     66
assign (resid   66 and name N)  (resid   66 and name CA)
       (resid   66 and name C)  (resid   67 and name N) 1.0  136.0   47.5 2
! phi residue     73
assign (resid   72 and name C)  (resid   73 and name N)
       (resid   73 and name CA) (resid   73 and name C) 1.0  -62.0   30.0 2
! psi residue     73
assign (resid   73 and name N)  (resid   73 and name CA)
       (resid   73 and name C)  (resid   74 and name N) 1.0  -34.0   25.0 2
! phi residue     75
assign (resid   74 and name C)  (resid   75 and name N)
       (resid   75 and name CA) (resid   75 and name C) 1.0 -126.0   50.0 2
! psi residue     75
assign (resid   75 and name N)  (resid   75 and name CA)
       (resid   75 and name C)  (resid   76 and name N) 1.0  130.0   32.5 2
! phi residue     76
assign (resid   75 and name C)  (resid   76 and name N)
       (resid   76 and name CA) (resid   76 and name C) 1.0 -104.0   47.5 2
! psi residue     76
assign (resid   76 and name N)  (resid   76 and name CA)
       (resid   76 and name C)  (resid   77 and name N) 1.0  132.0   27.5 2
! phi residue     77
assign (resid   76 and name C)  (resid   77 and name N)
       (resid   77 and name CA) (resid   77 and name C) 1.0 -110.0   55.0 2
! psi residue     77
assign (resid   77 and name N)  (resid   77 and name CA)
       (resid   77 and name C)  (resid   78 and name N) 1.0  140.0   42.5 2
! phi residue     80
assign (resid   79 and name C)  (resid   80 and name N)
       (resid   80 and name CA) (resid   80 and name C) 1.0  -69.0   25.0 2
! psi residue     80
assign (resid   80 and name N)  (resid   80 and name CA)
       (resid   80 and name C)  (resid   81 and name N) 1.0  -28.0   32.5 2
! phi residue     81
assign (resid   80 and name C)  (resid   81 and name N)
       (resid   81 and name CA) (resid   81 and name C) 1.0  -96.0   35.0 2
! psi residue     81
assign (resid   81 and name N)  (resid   81 and name CA)
       (resid   81 and name C)  (resid   82 and name N) 1.0   -5.0   37.5 2
! phi residue     84
assign (resid   83 and name C)  (resid   84 and name N)
       (resid   84 and name CA) (resid   84 and name C) 1.0 -154.0   30.0 2
! psi residue     84
assign (resid   84 and name N)  (resid   84 and name CA)
       (resid   84 and name C)  (resid   85 and name N) 1.0  143.0   27.5 2
! phi residue     85
assign (resid   84 and name C)  (resid   85 and name N)
       (resid   85 and name CA) (resid   85 and name C) 1.0 -110.0   45.0 2
! psi residue     85
assign (resid   85 and name N)  (resid   85 and name CA)
       (resid   85 and name C)  (resid   86 and name N) 1.0  126.0   25.0 2
! phi residue     86
assign (resid   85 and name C)  (resid   86 and name N)
       (resid   86 and name CA) (resid   86 and name C) 1.0 -128.0   52.5 2
! psi residue     86
assign (resid   86 and name N)  (resid   86 and name CA)
       (resid   86 and name C)  (resid   87 and name N) 1.0  129.0   37.5 2
! phi residue     87
assign (resid   86 and name C)  (resid   87 and name N)
       (resid   87 and name CA) (resid   87 and name C) 1.0  -89.0   40.0 2
! psi residue     87
assign (resid   87 and name N)  (resid   87 and name CA)
       (resid   87 and name C)  (resid   88 and name N) 1.0  128.0   27.5 2
! phi residue     89
assign (resid   88 and name C)  (resid   89 and name N)
       (resid   89 and name CA) (resid   89 and name C) 1.0 -117.0   82.5 2
! psi residue     89
assign (resid   89 and name N)  (resid   89 and name CA)
       (resid   89 and name C)  (resid   90 and name N) 1.0  153.0   52.5 2

HYDROGEN BOND TABLE
! added more h-bonds to run11 on 9/16/05
! antiparallel beta b1-b2 sheet:
assign ( resid 36   and name O ) ( resid 20 and name HN ) 1.9 0.4 0.6
assign ( resid 36   and name O ) ( resid 20 and name N  ) 2.9 0.5 0.7
assign ( resid 20   and name O ) ( resid 36 and name HN ) 1.9 0.4 0.6
assign ( resid 20   and name O ) ( resid 36 and name N  ) 2.9 0.5 0.7

assign ( resid 34   and name O ) ( resid 22  and name HN ) 1.9 0.4 0.6
assign ( resid 34   and name O ) ( resid 22  and name N  ) 2.9 0.5 0.7
assign ( resid 22   and name O ) ( resid 34  and name HN ) 1.9 0.4 0.6
assign ( resid 22   and name O ) ( resid 34  and name N  ) 2.9 0.5 0.7

assign ( resid 32   and name O ) ( resid 24 and name HN ) 1.9 0.4 0.6
assign ( resid 32   and name O ) ( resid 24 and name N  ) 2.9 0.5 0.7
assign ( resid 24   and name O ) ( resid 32 and name HN ) 1.9 0.4 0.6
assign ( resid 24   and name O ) ( resid 32 and name N  ) 2.9 0.5 0.7

assign ( resid 30   and name O ) ( resid 26 and name HN ) 1.9 0.4 0.6
assign ( resid 30   and name O ) ( resid 26 and name N  ) 2.9 0.5 0.7
assign ( resid 26   and name O ) ( resid 30 and name HN ) 1.9 0.4 0.6
assign ( resid 26   and name O ) ( resid 30 and name N  ) 2.9 0.5 0.7

! antiparallel beta b2-b3 sheet:
assign ( resid 40   and name O ) ( resid 45 and name HN ) 1.9 0.4 0.6
assign ( resid 40   and name O ) ( resid 45 and name N  ) 2.9 0.5 0.7
assign ( resid 45   and name O ) ( resid 40 and name HN ) 1.9 0.4 0.6
assign ( resid 45   and name O ) ( resid 40 and name N  ) 2.9 0.5 0.7

assign ( resid 38   and name O ) ( resid 47 and name HN ) 1.9 0.4 0.6
assign ( resid 38   and name O ) ( resid 47 and name N  ) 2.9 0.5 0.7
assign ( resid 47   and name O ) ( resid 38 and name HN ) 1.9 0.4 0.6
assign ( resid 47   and name O ) ( resid 38 and name N  ) 2.9 0.5 0.7

!assign ( resid 31   and name O ) ( resid 54 and name HN ) 1.9 0.4 0.6                      
!assign ( resid 31   and name O ) ( resid 54 and name N  ) 2.9 0.5 0.7                      
!assign ( resid 54   and name O ) ( resid 31 and name HN ) 1.9 0.4 0.6                      
!assign ( resid 54   and name O ) ( resid 31 and name N  ) 2.9 0.5 0.7

! antiparallel beta b3-b4 sheet:
assign ( resid 77   and name O ) ( resid 46 and name HN ) 1.9 0.4 0.6
assign ( resid 77   and name O ) ( resid 46 and name N  ) 2.9 0.5 0.7
assign ( resid 46   and name O ) ( resid 77 and name HN ) 1.9 0.4 0.6
assign ( resid 46   and name O ) ( resid 77 and name N  ) 2.9 0.5 0.7

assign ( resid 75   and name O ) ( resid 48 and name HN ) 1.9 0.4 0.6
assign ( resid 75   and name O ) ( resid 48 and name N  ) 2.9 0.5 0.7
assign ( resid 48   and name O ) ( resid 75 and name HN ) 1.9 0.4 0.6
assign ( resid 48   and name O ) ( resid 75 and name N  ) 2.9 0.5 0.7

assign ( resid 86   and name O ) ( resid 23 and name HN ) 1.9 0.4 0.6
assign ( resid 86   and name O ) ( resid 23 and name N  ) 2.9 0.5 0.7                                  
assign ( resid 23   and name O ) ( resid 86 and name HN ) 1.9 0.4 0.6                                  
assign ( resid 23   and name O ) ( resid 86 and name N  ) 2.9 0.5 0.7

assign ( resid 84   and name O ) ( resid 25 and name HN ) 1.9 0.4 0.6
assign ( resid 84   and name O ) ( resid 25 and name N  ) 2.9 0.5 0.7
assign ( resid 25   and name O ) ( resid 84 and name HN ) 1.9 0.4 0.6
assign ( resid 25   and name O ) ( resid 84 and name N  ) 2.9 0.5 0.7


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   PRO  16           HA       PRO  16  -9.540  -0.098   1.752
    2   1HB   PRO  16          2HB       PRO  16 -11.322   0.821   3.883
    3   2HB   PRO  16          1HB       PRO  16 -11.513   1.128   2.119
    4   1HG   PRO  16          2HG       PRO  16 -13.118  -0.462   3.391
    5   2HG   PRO  16          1HG       PRO  16 -12.380  -1.089   1.905
    6   1HD   PRO  16          2HD       PRO  16 -11.541  -1.540   4.748
    7   2HD   PRO  16          1HD       PRO  16 -11.883  -2.729   3.451
    8    H    TYR  17           H        TYR  17  -8.644   1.944   2.301
    9    HA   TYR  17           HA       TYR  17  -7.534   3.606   3.395
   10   1HB   TYR  17          2HB       TYR  17  -9.100   2.578   5.780
   11   2HB   TYR  17          1HB       TYR  17  -8.258   4.121   5.747
   12    HD1  TYR  17           HD1      TYR  17  -9.023   5.831   3.939
   13    HD2  TYR  17           HD2      TYR  17 -11.307   2.440   5.074
   14    HE1  TYR  17           HE1      TYR  17 -11.047   6.893   3.015
   15    HE2  TYR  17           HE2      TYR  17 -13.341   3.491   4.162
   16    HH   TYR  17           HH       TYR  17 -14.171   5.727   3.650
   17    H    ILE  18           H        ILE  18  -6.751   3.564   6.252
   18    HA   ILE  18           HA       ILE  18  -5.281   2.837   7.727
   19    HB   ILE  18           HB       ILE  18  -4.355   0.735   5.751
   20   1HG1  ILE  18          2HG1      ILE  18  -6.585   0.282   6.667
   21   2HG1  ILE  18          1HG1      ILE  18  -5.414  -0.890   7.267
   22   1HG2  ILE  18          1HG2      ILE  18  -2.528   1.458   7.197
   23   2HG2  ILE  18          2HG2      ILE  18  -3.019  -0.196   7.572
   24   3HG2  ILE  18          3HG2      ILE  18  -3.500   1.127   8.634
   25   1HD1  ILE  18          1HD1      ILE  18  -5.317   0.352   9.386
   26   2HD1  ILE  18          2HD1      ILE  18  -6.941  -0.236   9.027
   27   3HD1  ILE  18          3HD1      ILE  18  -6.560   1.465   8.800
   28    H    GLY  19           H        GLY  19  -3.435   2.604   4.758
   29   1HA   GLY  19          2HA       GLY  19  -1.963   4.952   5.727
   30   2HA   GLY  19          1HA       GLY  19  -1.053   3.495   5.408
   31    H    SER  20           H        SER  20   0.189   4.753   3.865
   32    HA   SER  20           HA       SER  20  -1.215   5.648   1.475
   33   1HB   SER  20          2HB       SER  20   0.584   7.079   2.351
   34   2HB   SER  20          1HB       SER  20   1.738   5.758   2.176
   35    HG   SER  20           HG       SER  20   0.701   7.480   0.240
   36    H    LYS  21           H        LYS  21  -1.411   4.453  -0.277
   37    HA   LYS  21           HA       LYS  21  -0.384   1.739  -0.218
   38   1HB   LYS  21          2HB       LYS  21  -2.093   3.009  -2.383
   39   2HB   LYS  21          1HB       LYS  21  -1.776   1.307  -2.185
   40   1HG   LYS  21          2HG       LYS  21  -4.007   1.677  -1.464
   41   2HG   LYS  21          1HG       LYS  21  -3.075   1.410  -0.011
   42   1HD   LYS  21          2HD       LYS  21  -2.931   3.796   0.396
   43   2HD   LYS  21          1HD       LYS  21  -3.781   4.106  -1.127
   44   1HE   LYS  21          2HE       LYS  21  -5.746   2.986  -0.210
   45   2HE   LYS  21          1HE       LYS  21  -4.866   2.734   1.306
   46   1HZ   LYS  21          1HZ       LYS  21  -6.331   4.787   1.267
   47   2HZ   LYS  21          2HZ       LYS  21  -5.210   5.427   0.152
   48   3HZ   LYS  21          3HZ       LYS  21  -4.722   5.057   1.672
   49    H    ILE  22           H        ILE  22   1.426   1.161  -1.161
   50    HA   ILE  22           HA       ILE  22   2.344   2.618  -3.518
   51    HB   ILE  22           HB       ILE  22   4.583   2.975  -2.742
   52   1HG1  ILE  22          2HG1      ILE  22   5.009   0.916  -1.473
   53   2HG1  ILE  22          1HG1      ILE  22   5.449   2.306  -0.519
   54   1HG2  ILE  22          1HG2      ILE  22   4.360   4.453  -0.763
   55   2HG2  ILE  22          2HG2      ILE  22   2.734   3.799  -0.536
   56   3HG2  ILE  22          3HG2      ILE  22   3.109   4.715  -1.982
   57   1HD1  ILE  22          1HD1      ILE  22   4.366   0.656   0.865
   58   2HD1  ILE  22          2HD1      ILE  22   2.978   0.638  -0.212
   59   3HD1  ILE  22          3HD1      ILE  22   3.318   2.076   0.729
   60    H    SER  23           H        SER  23   4.178   1.422  -4.530
   61    HA   SER  23           HA       SER  23   4.093  -1.388  -3.822
   62   1HB   SER  23          2HB       SER  23   2.881  -0.924  -5.973
   63   2HB   SER  23          1HB       SER  23   4.391  -0.296  -6.641
   64    HG   SER  23           HG       SER  23   4.353  -2.814  -5.460
   65    H    LEU  24           H        LEU  24   5.966  -2.172  -3.337
   66    HA   LEU  24           HA       LEU  24   8.358  -0.584  -3.939
   67   1HB   LEU  24          2HB       LEU  24   7.764  -0.413  -1.594
   68   2HB   LEU  24          1HB       LEU  24   7.624  -2.141  -1.437
   69    HG   LEU  24           HG       LEU  24  10.304  -0.800  -1.985
   70   1HD1  LEU  24          1HD1      LEU  24   9.059  -1.572   0.643
   71   2HD1  LEU  24          2HD1      LEU  24   9.307   0.080   0.087
   72   3HD1  LEU  24          3HD1      LEU  24  10.695  -0.943   0.424
   73   1HD2  LEU  24          1HD2      LEU  24   9.547  -3.478  -0.801
   74   2HD2  LEU  24          2HD2      LEU  24  11.180  -2.854  -1.003
   75   3HD2  LEU  24          3HD2      LEU  24  10.188  -3.211  -2.418
   76    H    ILE  25           H        ILE  25   9.889  -1.590  -5.047
   77    HA   ILE  25           HA       ILE  25   9.701  -4.464  -5.217
   78    HB   ILE  25           HB       ILE  25  11.122  -2.498  -7.044
   79   1HG1  ILE  25          2HG1      ILE  25   9.438  -3.565  -8.757
   80   2HG1  ILE  25          1HG1      ILE  25   8.692  -4.183  -7.292
   81   1HG2  ILE  25          1HG2      ILE  25  10.896  -5.497  -7.213
   82   2HG2  ILE  25          2HG2      ILE  25  12.323  -4.610  -6.755
   83   3HG2  ILE  25          3HG2      ILE  25  11.707  -4.470  -8.410
   84   1HD1  ILE  25          1HD1      ILE  25   8.159  -1.996  -6.531
   85   2HD1  ILE  25          2HD1      ILE  25   7.525  -2.265  -8.160
   86   3HD1  ILE  25          3HD1      ILE  25   8.932  -1.248  -7.933
   87    H    SER  26           H        SER  26  11.092  -5.646  -4.109
   88    HA   SER  26           HA       SER  26  13.245  -4.422  -2.658
   89   1HB   SER  26          2HB       SER  26  13.560  -6.726  -1.733
   90   2HB   SER  26          1HB       SER  26  11.901  -6.147  -1.587
   91    HG   SER  26           HG       SER  26  11.651  -8.147  -2.430
   92    H    LYS  27           H        LYS  27  15.430  -5.609  -2.618
   93    HA   LYS  27           HA       LYS  27  16.821  -5.085  -4.888
   94   1HB   LYS  27          2HB       LYS  27  18.771  -6.025  -3.939
   95   2HB   LYS  27          1HB       LYS  27  17.791  -5.570  -2.567
   96   1HG   LYS  27          2HG       LYS  27  17.966  -8.380  -3.670
   97   2HG   LYS  27          1HG       LYS  27  18.972  -7.736  -2.376
   98   1HD   LYS  27          2HD       LYS  27  15.982  -7.774  -2.226
   99   2HD   LYS  27          1HD       LYS  27  16.952  -9.158  -1.718
  100   1HE   LYS  27          2HE       LYS  27  16.971  -6.371  -0.565
  101   2HE   LYS  27          1HE       LYS  27  16.410  -7.841   0.214
  102   1HZ   LYS  27          1HZ       LYS  27  19.191  -7.097  -0.463
  103   2HZ   LYS  27          2HZ       LYS  27  18.798  -8.670  -0.039
  104   3HZ   LYS  27          3HZ       LYS  27  18.622  -7.441   1.078
  105    H    ALA  28           H        ALA  28  15.055  -8.029  -4.364
  106    HA   ALA  28           HA       ALA  28  16.515  -9.500  -6.421
  107   1HB   ALA  28          1HB       ALA  28  14.114 -10.300  -4.783
  108   2HB   ALA  28          2HB       ALA  28  15.796 -10.667  -4.392
  109   3HB   ALA  28          3HB       ALA  28  15.059 -11.361  -5.832
  110    H    GLU  29           H        GLU  29  14.569  -7.069  -6.651
  111    HA   GLU  29           HA       GLU  29  13.165  -6.212  -8.049
  112   1HB   GLU  29          2HB       GLU  29  14.158  -8.422  -9.853
  113   2HB   GLU  29          1HB       GLU  29  13.082  -7.148 -10.437
  114   1HG   GLU  29          2HG       GLU  29  14.743  -5.450  -9.709
  115   2HG   GLU  29          1HG       GLU  29  15.834  -6.734  -9.215
  116    H    ILE  30           H        ILE  30  12.146  -7.596  -6.133
  117    HA   ILE  30           HA       ILE  30   9.790  -8.968  -7.264
  118    HB   ILE  30           HB       ILE  30  10.813  -8.994  -4.410
  119   1HG1  ILE  30          2HG1      ILE  30  12.265 -10.314  -5.887
  120   2HG1  ILE  30          1HG1      ILE  30  11.340 -11.368  -4.816
  121   1HG2  ILE  30          1HG2      ILE  30   9.099 -10.712  -3.998
  122   2HG2  ILE  30          2HG2      ILE  30   8.498 -10.472  -5.644
  123   3HG2  ILE  30          3HG2      ILE  30   8.419  -9.151  -4.471
  124   1HD1  ILE  30          1HD1      ILE  30  10.762 -10.808  -7.714
  125   2HD1  ILE  30          2HD1      ILE  30   9.826 -11.883  -6.667
  126   3HD1  ILE  30          3HD1      ILE  30  11.491 -12.278  -7.065
  127    H    ARG  31           H        ARG  31   7.886  -7.986  -7.197
  128    HA   ARG  31           HA       ARG  31   7.694  -5.350  -5.953
  129   1HB   ARG  31          2HB       ARG  31   5.596  -5.127  -7.205
  130   2HB   ARG  31          1HB       ARG  31   6.954  -5.518  -8.240
  131   1HG   ARG  31          2HG       ARG  31   6.250  -7.814  -8.403
  132   2HG   ARG  31          1HG       ARG  31   4.931  -7.530  -7.265
  133   1HD   ARG  31          2HD       ARG  31   5.221  -6.154  -9.941
  134   2HD   ARG  31          1HD       ARG  31   4.172  -7.533  -9.635
  135    HE   ARG  31           HE       ARG  31   3.528  -5.570  -7.791
  136   1HH1  ARG  31          1HH1      ARG  31   3.343  -6.057 -11.279
  137   2HH1  ARG  31          2HH1      ARG  31   1.981  -5.070 -11.518
  138   1HH2  ARG  31          1HH2      ARG  31   1.637  -4.188  -8.085
  139   2HH2  ARG  31          2HH2      ARG  31   0.981  -3.964  -9.626
  140    H    TYR  32           H        TYR  32   6.296  -4.776  -4.351
  141    HA   TYR  32           HA       TYR  32   4.363  -6.743  -3.299
  142   1HB   TYR  32          2HB       TYR  32   6.133  -4.957  -1.581
  143   2HB   TYR  32          1HB       TYR  32   4.952  -6.151  -1.030
  144    HD1  TYR  32           HD1      TYR  32   8.307  -5.567  -2.310
  145    HD2  TYR  32           HD2      TYR  32   5.540  -8.542  -1.055
  146    HE1  TYR  32           HE1      TYR  32  10.149  -7.201  -2.143
  147    HE2  TYR  32           HE2      TYR  32   7.383 -10.183  -0.896
  148    HH   TYR  32           HH       TYR  32   9.633 -10.512  -1.824
  149    H    GLU  33           H        GLU  33   2.392  -5.700  -2.668
  150    HA   GLU  33           HA       GLU  33   2.468  -2.790  -2.728
  151   1HB   GLU  33          2HB       GLU  33   0.062  -2.811  -3.291
  152   2HB   GLU  33          1HB       GLU  33   1.017  -3.578  -4.531
  153   1HG   GLU  33          2HG       GLU  33  -0.501  -5.084  -2.411
  154   2HG   GLU  33          1HG       GLU  33  -1.177  -4.661  -3.977
  155    H    GLY  34           H        GLY  34   1.739  -1.692  -1.005
  156   1HA   GLY  34          2HA       GLY  34   0.155  -2.881   1.148
  157   2HA   GLY  34          1HA       GLY  34   1.835  -2.668   1.546
  158    H    ILE  35           H        ILE  35   0.682  -1.398   3.155
  159    HA   ILE  35           HA       ILE  35   0.635   1.166   2.036
  160    HB   ILE  35           HB       ILE  35  -0.761   1.837   4.107
  161   1HG1  ILE  35          2HG1      ILE  35  -2.407   0.146   4.831
  162   2HG1  ILE  35          1HG1      ILE  35  -1.599  -1.061   3.862
  163   1HG2  ILE  35          1HG2      ILE  35  -1.891   0.309   1.759
  164   2HG2  ILE  35          2HG2      ILE  35  -1.559   2.052   1.854
  165   3HG2  ILE  35          3HG2      ILE  35  -2.842   1.346   2.827
  166   1HD1  ILE  35          1HD1      ILE  35   0.250  -1.029   5.160
  167   2HD1  ILE  35          2HD1      ILE  35  -1.132  -1.096   6.319
  168   3HD1  ILE  35          3HD1      ILE  35  -0.233   0.409   6.055
  169    H    LEU  36           H        LEU  36   2.162   2.149   2.322
  170    HA   LEU  36           HA       LEU  36   4.372   1.868   4.064
  171   1HB   LEU  36          2HB       LEU  36   4.480   3.131   1.919
  172   2HB   LEU  36          1HB       LEU  36   3.493   4.383   2.622
  173    HG   LEU  36           HG       LEU  36   5.945   4.903   2.325
  174   1HD1  LEU  36          1HD1      LEU  36   4.601   6.246   3.848
  175   2HD1  LEU  36          2HD1      LEU  36   6.235   6.038   4.471
  176   3HD1  LEU  36          3HD1      LEU  36   4.905   5.091   5.146
  177   1HD2  LEU  36          1HD2      LEU  36   6.850   2.741   2.956
  178   2HD2  LEU  36          2HD2      LEU  36   6.235   2.949   4.594
  179   3HD2  LEU  36          3HD2      LEU  36   7.505   4.009   3.988
  180    H    TYR  37           H        TYR  37   4.951   2.558   6.012
  181    HA   TYR  37           HA       TYR  37   2.932   4.045   7.538
  182   1HB   TYR  37          2HB       TYR  37   3.207   1.700   8.224
  183   2HB   TYR  37          1HB       TYR  37   4.910   1.976   8.501
  184    HD1  TYR  37           HD1      TYR  37   1.539   3.161   9.624
  185    HD2  TYR  37           HD2      TYR  37   5.634   2.575  10.622
  186    HE1  TYR  37           HE1      TYR  37   1.045   3.772  11.941
  187    HE2  TYR  37           HE2      TYR  37   5.147   3.205  12.956
  188    HH   TYR  37           HH       TYR  37   1.954   3.454  14.129
  189    H    THR  38           H        THR  38   6.510   3.563   7.256
  190    HA   THR  38           HA       THR  38   6.923   6.382   7.837
  191    HB   THR  38           HB       THR  38   8.115   4.209   9.603
  192    HG1  THR  38           HG1      THR  38   5.849   5.687   9.764
  193   1HG2  THR  38          1HG2      THR  38   9.644   6.103   9.294
  194   2HG2  THR  38          2HG2      THR  38   9.046   6.038  10.944
  195   3HG2  THR  38          3HG2      THR  38   8.389   7.231   9.819
  196    H    ILE  39           H        ILE  39   9.094   7.067   7.202
  197    HA   ILE  39           HA       ILE  39  10.806   5.013   5.978
  198    HB   ILE  39           HB       ILE  39  10.140   7.704   4.708
  199   1HG1  ILE  39          2HG1      ILE  39   9.504   4.897   3.776
  200   2HG1  ILE  39          1HG1      ILE  39   8.347   6.073   4.397
  201   1HG2  ILE  39          1HG2      ILE  39  12.464   7.130   4.363
  202   2HG2  ILE  39          2HG2      ILE  39  11.565   6.974   2.848
  203   3HG2  ILE  39          3HG2      ILE  39  12.004   5.531   3.771
  204   1HD1  ILE  39          1HD1      ILE  39   8.735   7.513   2.499
  205   2HD1  ILE  39          2HD1      ILE  39   8.255   5.908   1.955
  206   3HD1  ILE  39          3HD1      ILE  39   9.952   6.399   1.875
  207    H    ASP  40           H        ASP  40  12.816   5.176   6.740
  208    HA   ASP  40           HA       ASP  40  13.544   7.537   8.292
  209   1HB   ASP  40          2HB       ASP  40  15.206   5.042   7.800
  210   2HB   ASP  40          1HB       ASP  40  15.533   6.307   8.970
  211    H    THR  41           H        THR  41  13.925   9.099   6.827
  212    HA   THR  41           HA       THR  41  14.968   8.835   4.317
  213    HB   THR  41           HB       THR  41  15.187  11.268   6.103
  214    HG1  THR  41           HG1      THR  41  13.077  10.356   4.413
  215   1HG2  THR  41          1HG2      THR  41  16.401  11.455   3.929
  216   2HG2  THR  41          2HG2      THR  41  14.993  12.519   3.981
  217   3HG2  THR  41          3HG2      THR  41  14.914  10.986   3.102
  218    H    GLU  42           H        GLU  42  16.782   8.999   7.333
  219    HA   GLU  42           HA       GLU  42  19.237   9.900   6.227
  220   1HB   GLU  42          2HB       GLU  42  18.752   9.958   8.679
  221   2HB   GLU  42          1HB       GLU  42  18.922   8.216   8.740
  222   1HG   GLU  42          2HG       GLU  42  21.277   8.456   7.944
  223   2HG   GLU  42          1HG       GLU  42  21.074  10.197   8.020
  224    H    ASN  43           H        ASN  43  17.938   6.644   6.704
  225    HA   ASN  43           HA       ASN  43  20.342   5.543   5.314
  226   1HB   ASN  43          2HB       ASN  43  18.370   4.063   7.072
  227   2HB   ASN  43          1HB       ASN  43  19.762   3.360   6.277
  228   1HD2  ASN  43          1HD2      ASN  43  21.412   5.813   6.926
  229   2HD2  ASN  43          2HD2      ASN  43  21.765   5.656   8.598
  230    H    SER  44           H        SER  44  17.347   6.537   4.721
  231    HA   SER  44           HA       SER  44  15.904   6.318   3.017
  232   1HB   SER  44          2HB       SER  44  17.977   4.468   1.786
  233   2HB   SER  44          1HB       SER  44  16.653   5.268   0.939
  234    HG   SER  44           HG       SER  44  18.140   7.028   2.345
  235    H    THR  45           H        THR  45  16.155   4.287   5.321
  236    HA   THR  45           HA       THR  45  15.308   1.827   4.215
  237    HB   THR  45           HB       THR  45  15.029   1.187   6.582
  238    HG1  THR  45           HG1      THR  45  14.795   3.088   7.805
  239   1HG2  THR  45          1HG2      THR  45  17.094   0.726   5.456
  240   2HG2  THR  45          2HG2      THR  45  17.454   1.190   7.112
  241   3HG2  THR  45          3HG2      THR  45  17.688   2.347   5.785
  242    H    VAL  46           H        VAL  46  13.330   0.984   4.161
  243    HA   VAL  46           HA       VAL  46  11.119   2.866   4.575
  244    HB   VAL  46           HB       VAL  46  11.272   0.407   2.814
  245   1HG1  VAL  46          1HG1      VAL  46   9.006   0.809   3.594
  246   2HG1  VAL  46          2HG1      VAL  46   9.150   1.191   1.864
  247   3HG1  VAL  46          3HG1      VAL  46   9.116   2.488   3.054
  248   1HG2  VAL  46          1HG2      VAL  46  12.663   2.221   1.968
  249   2HG2  VAL  46          2HG2      VAL  46  11.291   3.341   2.047
  250   3HG2  VAL  46          3HG2      VAL  46  11.256   1.982   0.931
  251    H    ALA  47           H        ALA  47   9.678   2.442   6.192
  252    HA   ALA  47           HA       ALA  47   9.763  -0.200   7.409
  253   1HB   ALA  47          1HB       ALA  47  10.190   1.695   8.920
  254   2HB   ALA  47          2HB       ALA  47   8.674   0.870   9.327
  255   3HB   ALA  47          3HB       ALA  47   8.630   2.391   8.470
  256    H    LEU  48           H        LEU  48   8.345  -1.500   6.480
  257    HA   LEU  48           HA       LEU  48   5.771  -0.415   5.721
  258   1HB   LEU  48          2HB       LEU  48   7.281  -2.867   4.956
  259   2HB   LEU  48          1HB       LEU  48   5.560  -2.729   4.660
  260    HG   LEU  48           HG       LEU  48   7.648  -0.857   3.543
  261   1HD1  LEU  48          1HD1      LEU  48   6.064  -3.079   2.264
  262   2HD1  LEU  48          2HD1      LEU  48   7.808  -3.069   2.577
  263   3HD1  LEU  48          3HD1      LEU  48   7.105  -1.929   1.418
  264   1HD2  LEU  48          1HD2      LEU  48   5.517   0.223   3.897
  265   2HD2  LEU  48          2HD2      LEU  48   4.686  -1.125   3.178
  266   3HD2  LEU  48          3HD2      LEU  48   5.724  -0.096   2.169
  267    H    ALA  49           H        ALA  49   3.868  -1.466   6.249
  268    HA   ALA  49           HA       ALA  49   3.848  -3.354   8.371
  269   1HB   ALA  49          1HB       ALA  49   2.672  -0.561   8.555
  270   2HB   ALA  49          2HB       ALA  49   3.943  -1.224   9.580
  271   3HB   ALA  49          3HB       ALA  49   2.314  -1.881   9.672
  272    H    LYS  50           H        LYS  50   2.140  -4.569   7.994
  273    HA   LYS  50           HA       LYS  50   0.686  -5.570   6.722
  274   1HB   LYS  50          2HB       LYS  50  -1.203  -5.039   7.758
  275   2HB   LYS  50          1HB       LYS  50  -0.605  -3.473   8.189
  276   1HG   LYS  50          2HG       LYS  50  -2.608  -2.963   7.125
  277   2HG   LYS  50          1HG       LYS  50  -1.311  -2.883   5.896
  278   1HD   LYS  50          2HD       LYS  50  -1.938  -4.937   4.909
  279   2HD   LYS  50          1HD       LYS  50  -3.061  -5.312   6.214
  280   1HE   LYS  50          2HE       LYS  50  -4.404  -3.327   5.600
  281   2HE   LYS  50          1HE       LYS  50  -3.339  -3.060   4.220
  282   1HZ   LYS  50          1HZ       LYS  50  -4.058  -5.262   3.348
  283   2HZ   LYS  50          2HZ       LYS  50  -5.434  -4.281   3.669
  284   3HZ   LYS  50          3HZ       LYS  50  -4.986  -5.449   4.750
  285    H    VAL  51           H        VAL  51   2.344  -5.300   5.234
  286    HA   VAL  51           HA       VAL  51   1.703  -4.033   2.801
  287    HB   VAL  51           HB       VAL  51   3.409  -6.496   3.234
  288   1HG1  VAL  51          1HG1      VAL  51   4.625  -5.836   1.214
  289   2HG1  VAL  51          2HG1      VAL  51   3.482  -4.505   0.971
  290   3HG1  VAL  51          3HG1      VAL  51   2.929  -6.171   0.880
  291   1HG2  VAL  51          1HG2      VAL  51   4.188  -4.733   4.669
  292   2HG2  VAL  51          2HG2      VAL  51   4.225  -3.607   3.310
  293   3HG2  VAL  51          3HG2      VAL  51   5.336  -4.972   3.356
  294    H    ARG  52           H        ARG  52  -0.206  -4.807   1.682
  295    HA   ARG  52           HA       ARG  52  -0.433  -7.483   0.887
  296   1HB   ARG  52          2HB       ARG  52  -1.295  -7.517   3.302
  297   2HB   ARG  52          1HB       ARG  52  -2.626  -6.525   2.749
  298   1HG   ARG  52          2HG       ARG  52  -3.378  -8.826   2.815
  299   2HG   ARG  52          1HG       ARG  52  -3.250  -8.335   1.125
  300   1HD   ARG  52          2HD       ARG  52  -1.041  -9.408   0.992
  301   2HD   ARG  52          1HD       ARG  52  -1.170  -9.916   2.662
  302    HE   ARG  52           HE       ARG  52  -3.344 -10.833   1.058
  303   1HH1  ARG  52          1HH1      ARG  52  -0.106 -11.601   2.266
  304   2HH1  ARG  52          2HH1      ARG  52  -0.093 -13.184   1.711
  305   1HH2  ARG  52          1HH2      ARG  52  -3.396 -13.064   0.337
  306   2HH2  ARG  52          2HH2      ARG  52  -2.041 -14.080   0.548
  307    H    SER  53           H        SER  53  -2.233  -7.644  -0.684
  308    HA   SER  53           HA       SER  53  -2.698  -5.315  -2.136
  309   1HB   SER  53          2HB       SER  53  -4.269  -7.904  -2.129
  310   2HB   SER  53          1HB       SER  53  -4.245  -6.709  -3.425
  311    HG   SER  53           HG       SER  53  -1.893  -7.118  -3.532
  312    H    PHE  54           H        PHE  54  -4.847  -4.256  -2.550
  313    HA   PHE  54           HA       PHE  54  -6.496  -4.204  -0.157
  314   1HB   PHE  54          2HB       PHE  54  -6.457  -1.666  -0.295
  315   2HB   PHE  54          1HB       PHE  54  -4.975  -2.441   0.240
  316    HD1  PHE  54           HD1      PHE  54  -6.491  -0.302  -2.227
  317    HD2  PHE  54           HD2      PHE  54  -3.078  -2.653  -1.355
  318    HE1  PHE  54           HE1      PHE  54  -5.252   0.870  -4.008
  319    HE2  PHE  54           HE2      PHE  54  -1.807  -1.482  -3.146
  320    HZ   PHE  54           HZ       PHE  54  -2.899   0.264  -4.466
  321    H    GLY  55           H        GLY  55  -8.283  -5.091  -1.126
  322   1HA   GLY  55          2HA       GLY  55 -10.332  -3.707  -2.041
  323   2HA   GLY  55          1HA       GLY  55  -9.350  -3.698  -3.492
  324    H    THR  56           H        THR  56 -11.573  -5.387  -1.600
  325    HA   THR  56           HA       THR  56 -12.733  -7.337  -1.707
  326    HB   THR  56           HB       THR  56 -13.202  -8.421  -3.862
  327    HG1  THR  56           HG1      THR  56 -10.841  -7.162  -4.625
  328   1HG2  THR  56          1HG2      THR  56 -14.380  -6.317  -3.499
  329   2HG2  THR  56          2HG2      THR  56 -14.024  -6.508  -5.213
  330   3HG2  THR  56          3HG2      THR  56 -13.052  -5.426  -4.229
  331    H    GLU  57           H        GLU  57 -12.731  -9.193  -1.075
  332    HA   GLU  57           HA       GLU  57 -10.186 -10.389  -0.507
  333   1HB   GLU  57          2HB       GLU  57 -11.667 -11.789   0.931
  334   2HB   GLU  57          1HB       GLU  57 -11.855 -10.056   1.221
  335   1HG   GLU  57          2HG       GLU  57 -13.874  -9.980  -0.046
  336   2HG   GLU  57          1HG       GLU  57 -13.627 -11.656  -0.557
  337    H    ASP  58           H        ASP  58 -11.464 -13.053  -0.383
  338    HA   ASP  58           HA       ASP  58 -11.019 -14.076  -3.019
  339   1HB   ASP  58          2HB       ASP  58 -12.286 -15.365  -0.602
  340   2HB   ASP  58          1HB       ASP  58 -11.731 -16.244  -2.023
  341    H    ARG  59           H        ARG  59 -13.375 -12.344  -1.987
  342    HA   ARG  59           HA       ARG  59 -15.409 -13.398  -3.776
  343   1HB   ARG  59          2HB       ARG  59 -15.893 -12.045  -1.102
  344   2HB   ARG  59          1HB       ARG  59 -17.125 -12.517  -2.244
  345   1HG   ARG  59          2HG       ARG  59 -15.309 -14.418  -0.780
  346   2HG   ARG  59          1HG       ARG  59 -17.001 -14.080  -0.386
  347   1HD   ARG  59          2HD       ARG  59 -17.623 -14.904  -2.652
  348   2HD   ARG  59          1HD       ARG  59 -15.932 -15.322  -2.927
  349    HE   ARG  59           HE       ARG  59 -16.888 -16.463  -0.529
  350   1HH1  ARG  59          1HH1      ARG  59 -16.931 -16.988  -4.036
  351   2HH1  ARG  59          2HH1      ARG  59 -17.228 -18.662  -3.931
  352   1HH2  ARG  59          1HH2      ARG  59 -17.306 -18.815  -0.393
  353   2HH2  ARG  59          2HH2      ARG  59 -17.418 -19.714  -1.790
  354    HA   PRO  60           HA       PRO  60 -14.994  -9.175  -5.297
  355   1HB   PRO  60          2HB       PRO  60 -17.713  -9.198  -6.325
  356   2HB   PRO  60          1HB       PRO  60 -16.205  -9.389  -7.206
  357   1HG   PRO  60          2HG       PRO  60 -18.037 -11.403  -6.897
  358   2HG   PRO  60          1HG       PRO  60 -16.311 -11.656  -7.167
  359   1HD   PRO  60          2HD       PRO  60 -17.858 -11.781  -4.627
  360   2HD   PRO  60          1HD       PRO  60 -16.541 -12.803  -5.252
  361    H    THR  61           H        THR  61 -15.598  -9.247  -2.605
  362    HA   THR  61           HA       THR  61 -16.763  -8.604  -0.921
  363    HB   THR  61           HB       THR  61 -17.426  -6.173  -0.857
  364    HG1  THR  61           HG1      THR  61 -17.095  -6.384  -3.474
  365   1HG2  THR  61          1HG2      THR  61 -14.620  -6.943  -1.584
  366   2HG2  THR  61          2HG2      THR  61 -15.315  -6.957   0.033
  367   3HG2  THR  61          3HG2      THR  61 -15.051  -5.431  -0.806
  368    H    ASP  62           H        ASP  62 -18.231 -10.098  -1.207
  369    HA   ASP  62           HA       ASP  62 -20.950  -9.441  -2.073
  370   1HB   ASP  62          2HB       ASP  62 -19.945 -11.785  -0.429
  371   2HB   ASP  62          1HB       ASP  62 -21.605 -11.586  -0.983
  372    H    ARG  63           H        ARG  63 -19.116  -8.607   0.351
  373    HA   ARG  63           HA       ARG  63 -21.059  -7.524   2.002
  374   1HB   ARG  63          2HB       ARG  63 -20.296  -8.548   4.126
  375   2HB   ARG  63          1HB       ARG  63 -21.008  -9.761   3.107
  376   1HG   ARG  63          2HG       ARG  63 -18.027  -9.343   3.523
  377   2HG   ARG  63          1HG       ARG  63 -19.003 -10.572   4.324
  378   1HD   ARG  63          2HD       ARG  63 -19.507 -11.521   2.075
  379   2HD   ARG  63          1HD       ARG  63 -18.457 -10.273   1.402
  380    HE   ARG  63           HE       ARG  63 -16.573 -11.303   2.359
  381   1HH1  ARG  63          1HH1      ARG  63 -19.517 -13.217   2.841
  382   2HH1  ARG  63          2HH1      ARG  63 -18.727 -14.684   3.116
  383   1HH2  ARG  63          1HH2      ARG  63 -15.455 -13.275   2.667
  384   2HH2  ARG  63          2HH2      ARG  63 -16.262 -14.725   3.055
  385    HA   PRO  64           HA       PRO  64 -17.567  -4.872   0.906
  386   1HB   PRO  64          2HB       PRO  64 -19.456  -3.260   2.591
  387   2HB   PRO  64          1HB       PRO  64 -18.534  -2.764   1.149
  388   1HG   PRO  64          2HG       PRO  64 -21.050  -3.387   0.736
  389   2HG   PRO  64          1HG       PRO  64 -19.786  -4.185  -0.256
  390   1HD   PRO  64          2HD       PRO  64 -21.245  -5.346   2.078
  391   2HD   PRO  64          1HD       PRO  64 -20.859  -6.090   0.508
  392    H    ILE  65           H        ILE  65 -15.738  -4.694   1.898
  393    HA   ILE  65           HA       ILE  65 -15.606  -5.466   4.673
  394    HB   ILE  65           HB       ILE  65 -13.341  -5.052   2.693
  395   1HG1  ILE  65          2HG1      ILE  65 -14.813  -6.918   2.026
  396   2HG1  ILE  65          1HG1      ILE  65 -13.249  -7.501   2.567
  397   1HG2  ILE  65          1HG2      ILE  65 -11.979  -6.294   4.250
  398   2HG2  ILE  65          2HG2      ILE  65 -13.306  -6.307   5.422
  399   3HG2  ILE  65          3HG2      ILE  65 -12.554  -4.778   4.942
  400   1HD1  ILE  65          1HD1      ILE  65 -15.816  -7.542   4.146
  401   2HD1  ILE  65          2HD1      ILE  65 -14.240  -8.096   4.722
  402   3HD1  ILE  65          3HD1      ILE  65 -15.012  -8.917   3.378
  403    H    ALA  66           H        ALA  66 -14.892  -4.340   6.117
  404    HA   ALA  66           HA       ALA  66 -14.484  -1.427   5.778
  405   1HB   ALA  66          1HB       ALA  66 -15.366  -2.968   8.249
  406   2HB   ALA  66          2HB       ALA  66 -16.391  -1.971   7.220
  407   3HB   ALA  66          3HB       ALA  66 -15.121  -1.219   8.178
  408    HA   PRO  67           HA       PRO  67 -10.230  -1.827   7.033
  409   1HB   PRO  67          2HB       PRO  67 -10.776   0.430   8.918
  410   2HB   PRO  67          1HB       PRO  67  -9.452   0.239   7.742
  411   1HG   PRO  67          2HG       PRO  67 -11.359   1.822   7.045
  412   2HG   PRO  67          1HG       PRO  67 -10.827   0.445   5.984
  413   1HD   PRO  67          2HD       PRO  67 -13.239   0.476   7.821
  414   2HD   PRO  67          1HD       PRO  67 -13.203   0.183   6.065
  415    H    ARG  68           H        ARG  68 -10.739  -3.705   8.011
  416    HA   ARG  68           HA       ARG  68  -9.829  -3.665  10.790
  417   1HB   ARG  68          2HB       ARG  68 -11.242  -5.636  11.419
  418   2HB   ARG  68          1HB       ARG  68 -12.218  -4.240  11.068
  419   1HG   ARG  68          2HG       ARG  68 -12.808  -5.153   8.877
  420   2HG   ARG  68          1HG       ARG  68 -11.732  -6.523   9.155
  421   1HD   ARG  68          2HD       ARG  68 -14.169  -5.851  10.808
  422   2HD   ARG  68          1HD       ARG  68 -14.072  -7.107   9.574
  423    HE   ARG  68           HE       ARG  68 -12.038  -7.431  11.507
  424   1HH1  ARG  68          1HH1      ARG  68 -15.508  -7.993  11.005
  425   2HH1  ARG  68          2HH1      ARG  68 -15.607  -9.227  12.171
  426   1HH2  ARG  68          1HH2      ARG  68 -12.184  -9.160  13.106
  427   2HH2  ARG  68          2HH2      ARG  68 -13.675  -9.915  13.370
  428    H    ASP  69           H        ASP  69  -7.843  -4.050  10.330
  429    HA   ASP  69           HA       ASP  69  -7.215  -6.550   8.988
  430   1HB   ASP  69          2HB       ASP  69  -7.402  -4.482   7.358
  431   2HB   ASP  69          1HB       ASP  69  -5.976  -3.944   8.210
  432    H    GLU  70           H        GLU  70  -5.105  -7.236   9.646
  433    HA   GLU  70           HA       GLU  70  -3.875  -5.616  11.731
  434   1HB   GLU  70          2HB       GLU  70  -3.410  -7.648  13.072
  435   2HB   GLU  70          1HB       GLU  70  -5.127  -7.314  12.899
  436   1HG   GLU  70          2HG       GLU  70  -5.263  -9.058  11.196
  437   2HG   GLU  70          1HG       GLU  70  -3.538  -9.383  11.413
  438    H    THR  71           H        THR  71  -1.620  -6.198  12.217
  439    HA   THR  71           HA       THR  71  -0.358  -6.462   9.608
  440    HB   THR  71           HB       THR  71   0.670  -5.179  12.134
  441    HG1  THR  71           HG1      THR  71  -1.272  -4.430  10.506
  442   1HG2  THR  71          1HG2      THR  71   2.439  -5.778  10.591
  443   2HG2  THR  71          2HG2      THR  71   2.148  -4.025  10.397
  444   3HG2  THR  71          3HG2      THR  71   1.483  -5.183   9.262
  445    H    PHE  72           H        PHE  72   0.262  -8.529   9.304
  446    HA   PHE  72           HA       PHE  72   1.997  -9.756  11.364
  447   1HB   PHE  72          2HB       PHE  72  -0.062 -11.049  11.084
  448   2HB   PHE  72          1HB       PHE  72   0.191 -11.162   9.361
  449    HD1  PHE  72           HD1      PHE  72   1.555 -12.897   8.432
  450    HD2  PHE  72           HD2      PHE  72   1.482 -12.254  12.647
  451    HE1  PHE  72           HE1      PHE  72   2.752 -15.006   8.767
  452    HE2  PHE  72           HE2      PHE  72   2.699 -14.387  12.985
  453    HZ   PHE  72           HZ       PHE  72   3.327 -15.752  11.048
  454    H    GLU  73           H        GLU  73   1.555  -9.221   7.907
  455    HA   GLU  73           HA       GLU  73   3.973 -10.547   7.171
  456   1HB   GLU  73          2HB       GLU  73   2.008  -8.973   5.521
  457   2HB   GLU  73          1HB       GLU  73   3.383  -9.859   4.851
  458   1HG   GLU  73          2HG       GLU  73   2.463 -11.949   5.803
  459   2HG   GLU  73          1HG       GLU  73   1.080 -11.023   6.394
  460    H    TYR  74           H        TYR  74   3.577  -7.649   8.490
  461    HA   TYR  74           HA       TYR  74   4.896  -5.718   7.023
  462   1HB   TYR  74          2HB       TYR  74   5.407  -4.565   9.077
  463   2HB   TYR  74          1HB       TYR  74   3.783  -5.249   9.106
  464    HD1  TYR  74           HD1      TYR  74   3.580  -7.513  10.282
  465    HD2  TYR  74           HD2      TYR  74   6.796  -4.886  10.810
  466    HE1  TYR  74           HE1      TYR  74   4.056  -8.606  12.473
  467    HE2  TYR  74           HE2      TYR  74   7.333  -5.940  13.004
  468    HH   TYR  74           HH       TYR  74   5.998  -8.880  14.010
  469    H    ILE  75           H        ILE  75   7.057  -4.839   6.993
  470    HA   ILE  75           HA       ILE  75   9.224  -6.251   8.128
  471    HB   ILE  75           HB       ILE  75   8.778  -7.826   6.367
  472   1HG1  ILE  75          2HG1      ILE  75  11.134  -6.107   5.570
  473   2HG1  ILE  75          1HG1      ILE  75  11.168  -7.357   6.801
  474   1HG2  ILE  75          1HG2      ILE  75   7.447  -6.493   4.887
  475   2HG2  ILE  75          2HG2      ILE  75   8.767  -7.227   3.981
  476   3HG2  ILE  75          3HG2      ILE  75   8.846  -5.529   4.412
  477   1HD1  ILE  75          1HD1      ILE  75  10.717  -7.759   3.844
  478   2HD1  ILE  75          2HD1      ILE  75  10.686  -9.035   5.062
  479   3HD1  ILE  75          3HD1      ILE  75  12.179  -8.149   4.750
  480    H    ILE  76           H        ILE  76  11.169  -5.064   7.938
  481    HA   ILE  76           HA       ILE  76  10.893  -2.395   6.804
  482    HB   ILE  76           HB       ILE  76  12.679  -3.363   9.084
  483   1HG1  ILE  76          2HG1      ILE  76  11.571  -1.615  10.440
  484   2HG1  ILE  76          1HG1      ILE  76  10.505  -1.225   9.096
  485   1HG2  ILE  76          1HG2      ILE  76  13.527  -1.038   9.258
  486   2HG2  ILE  76          2HG2      ILE  76  12.705  -0.659   7.734
  487   3HG2  ILE  76          3HG2      ILE  76  13.993  -1.852   7.772
  488   1HD1  ILE  76          1HD1      ILE  76   9.614  -3.494   9.218
  489   2HD1  ILE  76          2HD1      ILE  76   9.372  -2.584  10.727
  490   3HD1  ILE  76          3HD1      ILE  76  10.636  -3.818  10.616
  491    H    PHE  77           H        PHE  77  12.231  -1.818   5.240
  492    HA   PHE  77           HA       PHE  77  14.139  -3.853   4.386
  493   1HB   PHE  77          2HB       PHE  77  12.606  -1.785   2.930
  494   2HB   PHE  77          1HB       PHE  77  14.005  -2.569   2.158
  495    HD1  PHE  77           HD1      PHE  77  13.879  -5.050   1.825
  496    HD2  PHE  77           HD2      PHE  77  10.501  -2.764   2.991
  497    HE1  PHE  77           HE1      PHE  77  12.395  -6.893   1.095
  498    HE2  PHE  77           HE2      PHE  77   9.016  -4.613   2.256
  499    HZ   PHE  77           HZ       PHE  77   9.966  -6.657   1.318
  500    H    ARG  78           H        ARG  78  16.203  -3.319   3.744
  501    HA   ARG  78           HA       ARG  78  17.601  -1.411   5.195
  502   1HB   ARG  78          2HB       ARG  78  18.393  -2.921   2.718
  503   2HB   ARG  78          1HB       ARG  78  19.510  -1.947   3.669
  504   1HG   ARG  78          2HG       ARG  78  18.008  -4.390   4.630
  505   2HG   ARG  78          1HG       ARG  78  19.711  -4.324   4.190
  506   1HD   ARG  78          2HD       ARG  78  18.379  -2.837   6.433
  507   2HD   ARG  78          1HD       ARG  78  19.375  -4.264   6.626
  508    HE   ARG  78           HE       ARG  78  20.871  -2.314   5.257
  509   1HH1  ARG  78          1HH1      ARG  78  19.658  -2.941   8.585
  510   2HH1  ARG  78          2HH1      ARG  78  20.898  -2.053   9.325
  511   1HH2  ARG  78          1HH2      ARG  78  22.633  -1.077   6.409
  512   2HH2  ARG  78          2HH2      ARG  78  22.565  -1.012   8.087
  513    H    GLY  79           H        GLY  79  15.813  -0.907   2.316
  514   1HA   GLY  79          2HA       GLY  79  15.336   1.157   1.355
  515   2HA   GLY  79          1HA       GLY  79  16.612   1.873   2.338
  516    H    SER  80           H        SER  80  18.762   0.888   1.728
  517    HA   SER  80           HA       SER  80  19.384   1.659  -0.950
  518   1HB   SER  80          2HB       SER  80  21.050   1.779   0.875
  519   2HB   SER  80          1HB       SER  80  21.108   0.020   0.939
  520    HG   SER  80           HG       SER  80  21.573   0.457  -1.510
  521    H    ASP  81           H        ASP  81  18.116  -1.162   0.243
  522    HA   ASP  81           HA       ASP  81  18.919  -2.859  -2.018
  523   1HB   ASP  81          2HB       ASP  81  17.499  -3.455   0.564
  524   2HB   ASP  81          1HB       ASP  81  17.414  -4.549  -0.804
  525    H    ILE  82           H        ILE  82  16.902  -0.490  -2.068
  526    HA   ILE  82           HA       ILE  82  14.626  -2.088  -3.007
  527    HB   ILE  82           HB       ILE  82  14.705   0.932  -2.678
  528   1HG1  ILE  82          2HG1      ILE  82  14.908  -0.050  -0.455
  529   2HG1  ILE  82          1HG1      ILE  82  13.268   0.547  -0.679
  530   1HG2  ILE  82          1HG2      ILE  82  13.092   0.291  -4.268
  531   2HG2  ILE  82          2HG2      ILE  82  12.242   0.745  -2.779
  532   3HG2  ILE  82          3HG2      ILE  82  12.450  -0.951  -3.198
  533   1HD1  ILE  82          1HD1      ILE  82  14.111  -2.318  -0.871
  534   2HD1  ILE  82          2HD1      ILE  82  12.530  -1.646  -1.222
  535   3HD1  ILE  82          3HD1      ILE  82  13.163  -1.540   0.421
  536    H    LYS  83           H        LYS  83  14.098  -2.252  -5.051
  537    HA   LYS  83           HA       LYS  83  15.904  -1.155  -7.030
  538   1HB   LYS  83          2HB       LYS  83  13.674  -3.154  -7.163
  539   2HB   LYS  83          1HB       LYS  83  14.482  -2.572  -8.604
  540   1HG   LYS  83          2HG       LYS  83  15.862  -3.965  -6.311
  541   2HG   LYS  83          1HG       LYS  83  15.303  -4.785  -7.763
  542   1HD   LYS  83          2HD       LYS  83  16.748  -3.325  -9.118
  543   2HD   LYS  83          1HD       LYS  83  17.332  -2.535  -7.659
  544   1HE   LYS  83          2HE       LYS  83  18.258  -4.664  -6.893
  545   2HE   LYS  83          1HE       LYS  83  17.621  -5.459  -8.337
  546   1HZ   LYS  83          1HZ       LYS  83  19.088  -4.122  -9.683
  547   2HZ   LYS  83          2HZ       LYS  83  19.971  -4.919  -8.482
  548   3HZ   LYS  83          3HZ       LYS  83  19.634  -3.291  -8.303
  549    H    ASP  84           H        ASP  84  12.672  -0.671  -5.863
  550    HA   ASP  84           HA       ASP  84  12.366   1.730  -7.384
  551   1HB   ASP  84          2HB       ASP  84  11.916   0.224  -9.238
  552   2HB   ASP  84          1HB       ASP  84  10.702  -0.627  -8.295
  553    H    LEU  85           H        LEU  85  10.996   3.094  -6.495
  554    HA   LEU  85           HA       LEU  85   9.000   2.051  -4.595
  555   1HB   LEU  85          2HB       LEU  85  10.658   4.560  -4.430
  556   2HB   LEU  85          1HB       LEU  85   9.278   4.266  -3.407
  557    HG   LEU  85           HG       LEU  85  11.808   2.618  -3.457
  558   1HD1  LEU  85          1HD1      LEU  85  10.777   4.644  -1.471
  559   2HD1  LEU  85          2HD1      LEU  85  12.222   4.829  -2.482
  560   3HD1  LEU  85          3HD1      LEU  85  12.182   3.617  -1.215
  561   1HD2  LEU  85          1HD2      LEU  85   9.874   1.284  -2.838
  562   2HD2  LEU  85          2HD2      LEU  85   9.386   2.509  -1.663
  563   3HD2  LEU  85          3HD2      LEU  85  10.866   1.600  -1.415
  564    H    THR  86           H        THR  86   7.207   2.158  -5.848
  565    HA   THR  86           HA       THR  86   6.630   4.756  -7.059
  566    HB   THR  86           HB       THR  86   5.497   2.028  -7.790
  567    HG1  THR  86           HG1      THR  86   7.568   2.174  -8.708
  568   1HG2  THR  86          1HG2      THR  86   5.062   4.741  -9.053
  569   2HG2  THR  86          2HG2      THR  86   3.843   3.823  -8.159
  570   3HG2  THR  86          3HG2      THR  86   4.455   3.220  -9.699
  571    H    VAL  87           H        VAL  87   5.268   5.979  -6.020
  572    HA   VAL  87           HA       VAL  87   3.495   4.838  -3.990
  573    HB   VAL  87           HB       VAL  87   3.223   7.144  -3.173
  574   1HG1  VAL  87          1HG1      VAL  87   5.521   7.528  -2.383
  575   2HG1  VAL  87          2HG1      VAL  87   6.098   6.349  -3.573
  576   3HG1  VAL  87          3HG1      VAL  87   5.044   5.835  -2.263
  577   1HG2  VAL  87          1HG2      VAL  87   3.443   8.352  -5.295
  578   2HG2  VAL  87          2HG2      VAL  87   5.163   7.922  -5.355
  579   3HG2  VAL  87          3HG2      VAL  87   4.562   8.980  -4.080
  580    H    CYS  88           H        CYS  88   1.254   5.443  -3.838
  581    HA   CYS  88           HA       CYS  88   0.136   6.240  -6.429
  582   1HB   CYS  88          2HB       CYS  88  -0.533   4.011  -5.706
  583   2HB   CYS  88          1HB       CYS  88  -1.125   4.655  -4.183
  584    HG   CYS  88           HG       CYS  88  -2.850   6.389  -6.026
  585    H    GLU  89           H        GLU  89   0.125   7.048  -2.945
  586    HA   GLU  89           HA       GLU  89  -1.267   9.451  -3.688
  587   1HB   GLU  89          2HB       GLU  89  -2.662   9.318  -1.611
  588   2HB   GLU  89          1HB       GLU  89  -3.076   8.178  -2.877
  589   1HG   GLU  89          2HG       GLU  89  -1.917   6.403  -1.715
  590   2HG   GLU  89          1HG       GLU  89  -1.443   7.502  -0.419
  591    HA   PRO  90           HA       PRO  90   2.136  10.967  -1.176
  592   1HB   PRO  90          2HB       PRO  90   1.357  13.617  -2.025
  593   2HB   PRO  90          1HB       PRO  90   2.777  12.692  -2.514
  594   1HG   PRO  90          2HG       PRO  90   0.737  13.302  -4.210
  595   2HG   PRO  90          1HG       PRO  90   1.779  11.888  -4.383
  596   1HD   PRO  90          2HD       PRO  90  -0.992  12.046  -3.269
  597   2HD   PRO  90          1HD       PRO  90  -0.220  10.818  -4.312
  598    HA   PRO  91           HA       PRO  91  -0.715  11.979   2.270
  599   1HB   PRO  91          2HB       PRO  91   1.798  11.943   3.810
  600   2HB   PRO  91          1HB       PRO  91   0.322  11.008   4.062
  601   1HG   PRO  91          2HG       PRO  91   2.569   9.890   3.109
  602   2HG   PRO  91          1HG       PRO  91   0.968   9.348   2.588
  603   1HD   PRO  91          2HD       PRO  91   2.957  11.059   1.155
  604   2HD   PRO  91          1HD       PRO  91   1.834   9.831   0.522
  605    H    LYS  92           H        LYS  92   2.444  13.504   1.742
  606    HA   LYS  92           HA       LYS  92   1.294  16.069   2.572
  607   1HB   LYS  92          2HB       LYS  92   4.057  15.064   3.312
  608   2HB   LYS  92          1HB       LYS  92   3.460  16.687   3.606
  609   1HG   LYS  92          2HG       LYS  92   1.755  15.816   5.134
  610   2HG   LYS  92          1HG       LYS  92   2.299  14.168   4.833
  611   1HD   LYS  92          2HD       LYS  92   4.500  14.757   5.738
  612   2HD   LYS  92          1HD       LYS  92   3.915  16.398   6.067
  613   1HE   LYS  92          2HE       LYS  92   2.789  13.848   7.256
  614   2HE   LYS  92          1HE       LYS  92   3.875  14.948   8.092
  615   1HZ   LYS  92          1HZ       LYS  92   2.182  16.673   7.961
  616   2HZ   LYS  92          2HZ       LYS  92   1.559  15.330   8.729
  617   3HZ   LYS  92          3HZ       LYS  92   1.122  15.648   7.151
  618    HA   PRO  93           HA       PRO  93   2.830  16.760  -1.626
  619   1HB   PRO  93          2HB       PRO  93   1.164  19.199  -1.300
  620   2HB   PRO  93          1HB       PRO  93   1.081  17.983  -2.575
  621   1HG   PRO  93          2HG       PRO  93  -0.818  18.136  -0.719
  622   2HG   PRO  93          1HG       PRO  93  -0.253  16.562  -1.312
  623   1HD   PRO  93          2HD       PRO  93   0.450  17.987   1.232
  624   2HD   PRO  93          1HD       PRO  93   0.047  16.264   0.960
  625    H    ILE  94           H        ILE  94   2.675  18.857   1.136
  626    HA   ILE  94           HA       ILE  94   4.962  20.431   0.168
  627    HB   ILE  94           HB       ILE  94   2.897  21.157   2.288
  628   1HG1  ILE  94          2HG1      ILE  94   3.335  22.319  -0.484
  629   2HG1  ILE  94          1HG1      ILE  94   2.003  21.265  -0.015
  630   1HG2  ILE  94          1HG2      ILE  94   5.200  22.790   1.184
  631   2HG2  ILE  94          2HG2      ILE  94   5.117  22.088   2.805
  632   3HG2  ILE  94          3HG2      ILE  94   3.990  23.348   2.335
  633   1HD1  ILE  94          1HD1      ILE  94   1.193  22.993   1.523
  634   2HD1  ILE  94          2HD1      ILE  94   1.306  23.603  -0.126
  635   3HD1  ILE  94          3HD1      ILE  94   2.541  24.030   1.060
  636    H    MET  95           H        MET  95   6.823  20.006   1.158
  637    HA   MET  95           HA       MET  95   6.698  18.560   3.689
  638   1HB   MET  95          2HB       MET  95   8.857  18.401   1.581
  639   2HB   MET  95          1HB       MET  95   8.811  17.501   3.094
  640   1HG   MET  95          2HG       MET  95   6.782  16.359   2.357
  641   2HG   MET  95          1HG       MET  95   6.833  17.261   0.848
  642   1HE   MET  95          1HE       MET  95   9.858  15.628   2.869
  643   2HE   MET  95          2HE       MET  95   9.921  14.051   2.069
  644   3HE   MET  95          3HE       MET  95   8.510  14.497   3.027
  Start of MODEL    2
    1    HA   PRO  16           HA       PRO  16  -9.604   1.435   6.709
    2   1HB   PRO  16          2HB       PRO  16  -7.717   1.327   8.689
    3   2HB   PRO  16          1HB       PRO  16  -9.214   0.373   8.745
    4   1HG   PRO  16          2HG       PRO  16  -6.480  -0.471   7.868
    5   2HG   PRO  16          1HG       PRO  16  -7.617  -1.310   8.926
    6   1HD   PRO  16          2HD       PRO  16  -7.386  -1.977   6.328
    7   2HD   PRO  16          1HD       PRO  16  -8.948  -2.016   7.162
    8    H    TYR  17           H        TYR  17  -8.721   3.506   6.861
    9    HA   TYR  17           HA       TYR  17  -6.630   4.051   4.970
   10   1HB   TYR  17          2HB       TYR  17  -8.641   5.506   5.157
   11   2HB   TYR  17          1HB       TYR  17  -8.142   5.956   6.774
   12    HD1  TYR  17           HD1      TYR  17  -6.532   7.674   7.115
   13    HD2  TYR  17           HD2      TYR  17  -7.271   6.242   3.183
   14    HE1  TYR  17           HE1      TYR  17  -5.221   9.533   6.198
   15    HE2  TYR  17           HE2      TYR  17  -5.958   8.115   2.251
   16    HH   TYR  17           HH       TYR  17  -5.217  10.362   2.890
   17    H    ILE  18           H        ILE  18  -4.785   3.169   5.856
   18    HA   ILE  18           HA       ILE  18  -3.871   4.364   8.358
   19    HB   ILE  18           HB       ILE  18  -2.969   1.781   7.077
   20   1HG1  ILE  18          2HG1      ILE  18  -4.569   2.383   9.575
   21   2HG1  ILE  18          1HG1      ILE  18  -5.208   1.721   8.074
   22   1HG2  ILE  18          1HG2      ILE  18  -2.100   3.082   9.704
   23   2HG2  ILE  18          2HG2      ILE  18  -1.088   2.867   8.281
   24   3HG2  ILE  18          3HG2      ILE  18  -1.655   1.458   9.172
   25   1HD1  ILE  18          1HD1      ILE  18  -3.202   0.461   9.875
   26   2HD1  ILE  18          2HD1      ILE  18  -3.844  -0.244   8.376
   27   3HD1  ILE  18          3HD1      ILE  18  -4.918   0.013   9.765
   28    H    GLY  19           H        GLY  19  -2.092   2.948   5.706
   29   1HA   GLY  19          2HA       GLY  19  -0.251   5.253   5.847
   30   2HA   GLY  19          1HA       GLY  19   0.206   3.644   5.311
   31    H    SER  20           H        SER  20   1.162   4.842   3.587
   32    HA   SER  20           HA       SER  20  -0.578   6.040   1.591
   33   1HB   SER  20          2HB       SER  20   2.425   5.669   1.610
   34   2HB   SER  20          1HB       SER  20   1.501   6.695   0.501
   35    HG   SER  20           HG       SER  20   0.754   7.501   2.800
   36    H    LYS  21           H        LYS  21  -0.759   5.190  -0.556
   37    HA   LYS  21           HA       LYS  21  -0.440   2.311  -0.569
   38   1HB   LYS  21          2HB       LYS  21  -2.028   4.190  -2.340
   39   2HB   LYS  21          1HB       LYS  21  -1.948   2.437  -2.587
   40   1HG   LYS  21          2HG       LYS  21  -4.052   3.052  -1.492
   41   2HG   LYS  21          1HG       LYS  21  -3.020   2.135  -0.386
   42   1HD   LYS  21          2HD       LYS  21  -2.354   4.217   0.712
   43   2HD   LYS  21          1HD       LYS  21  -3.339   5.155  -0.398
   44   1HE   LYS  21          2HE       LYS  21  -5.334   4.029   0.468
   45   2HE   LYS  21          1HE       LYS  21  -4.320   3.095   1.560
   46   1HZ   LYS  21          1HZ       LYS  21  -4.519   6.044   1.553
   47   2HZ   LYS  21          2HZ       LYS  21  -3.557   5.128   2.587
   48   3HZ   LYS  21          3HZ       LYS  21  -5.249   5.034   2.695
   49    H    ILE  22           H        ILE  22   1.265   1.491  -1.501
   50    HA   ILE  22           HA       ILE  22   2.417   2.760  -3.823
   51    HB   ILE  22           HB       ILE  22   3.415   4.083  -2.079
   52   1HG1  ILE  22          2HG1      ILE  22   5.456   2.002  -2.850
   53   2HG1  ILE  22          1HG1      ILE  22   4.963   3.314  -3.900
   54   1HG2  ILE  22          1HG2      ILE  22   4.174   1.531  -0.717
   55   2HG2  ILE  22          2HG2      ILE  22   2.938   2.712  -0.243
   56   3HG2  ILE  22          3HG2      ILE  22   4.649   3.176  -0.254
   57   1HD1  ILE  22          1HD1      ILE  22   7.032   3.859  -2.849
   58   2HD1  ILE  22          2HD1      ILE  22   6.366   3.532  -1.256
   59   3HD1  ILE  22          3HD1      ILE  22   5.782   4.918  -2.190
   60    H    SER  23           H        SER  23   3.855   1.466  -4.920
   61    HA   SER  23           HA       SER  23   3.898  -1.362  -4.164
   62   1HB   SER  23          2HB       SER  23   4.483  -0.012  -6.811
   63   2HB   SER  23          1HB       SER  23   4.359  -1.746  -6.515
   64    HG   SER  23           HG       SER  23   2.174  -0.395  -5.650
   65    H    LEU  24           H        LEU  24   5.803  -2.144  -3.515
   66    HA   LEU  24           HA       LEU  24   8.217  -0.587  -4.097
   67   1HB   LEU  24          2HB       LEU  24   7.709  -0.238  -1.814
   68   2HB   LEU  24          1HB       LEU  24   7.386  -1.934  -1.534
   69    HG   LEU  24           HG       LEU  24   9.806  -2.394  -1.776
   70   1HD1  LEU  24          1HD1      LEU  24  11.373  -0.532  -1.905
   71   2HD1  LEU  24          2HD1      LEU  24  10.018   0.572  -2.173
   72   3HD1  LEU  24          3HD1      LEU  24  10.380  -0.692  -3.343
   73   1HD2  LEU  24          1HD2      LEU  24   8.894  -1.884   0.427
   74   2HD2  LEU  24          2HD2      LEU  24   9.157  -0.164   0.134
   75   3HD2  LEU  24          3HD2      LEU  24  10.535  -1.255   0.268
   76    H    ILE  25           H        ILE  25   9.728  -1.654  -5.110
   77    HA   ILE  25           HA       ILE  25   9.574  -4.579  -5.050
   78    HB   ILE  25           HB       ILE  25  11.182  -2.849  -6.961
   79   1HG1  ILE  25          2HG1      ILE  25   8.629  -4.417  -7.430
   80   2HG1  ILE  25          1HG1      ILE  25   8.762  -2.667  -7.336
   81   1HG2  ILE  25          1HG2      ILE  25  12.209  -5.046  -6.537
   82   2HG2  ILE  25          2HG2      ILE  25  11.539  -5.021  -8.172
   83   3HG2  ILE  25          3HG2      ILE  25  10.684  -5.843  -6.870
   84   1HD1  ILE  25          1HD1      ILE  25  10.139  -2.650  -9.363
   85   2HD1  ILE  25          2HD1      ILE  25   8.604  -3.464  -9.657
   86   3HD1  ILE  25          3HD1      ILE  25  10.070  -4.406  -9.427
   87    H    SER  26           H        SER  26  10.957  -5.618  -3.885
   88    HA   SER  26           HA       SER  26  13.091  -4.236  -2.535
   89   1HB   SER  26          2HB       SER  26  13.487  -6.477  -1.523
   90   2HB   SER  26          1HB       SER  26  11.812  -5.939  -1.334
   91    HG   SER  26           HG       SER  26  11.321  -7.744  -2.251
   92    H    LYS  27           H        LYS  27  15.344  -4.984  -2.705
   93    HA   LYS  27           HA       LYS  27  16.304  -5.132  -5.251
   94   1HB   LYS  27          2HB       LYS  27  18.504  -5.867  -4.217
   95   2HB   LYS  27          1HB       LYS  27  17.812  -4.411  -3.568
   96   1HG   LYS  27          2HG       LYS  27  18.730  -5.747  -1.764
   97   2HG   LYS  27          1HG       LYS  27  16.970  -5.638  -1.621
   98   1HD   LYS  27          2HD       LYS  27  17.530  -7.890  -1.074
   99   2HD   LYS  27          1HD       LYS  27  16.918  -7.917  -2.734
  100   1HE   LYS  27          2HE       LYS  27  19.846  -7.963  -1.938
  101   2HE   LYS  27          1HE       LYS  27  18.915  -9.392  -2.390
  102   1HZ   LYS  27          1HZ       LYS  27  20.229  -8.689  -4.203
  103   2HZ   LYS  27          2HZ       LYS  27  19.755  -7.116  -4.111
  104   3HZ   LYS  27          3HZ       LYS  27  18.652  -8.319  -4.634
  105    H    ALA  28           H        ALA  28  14.774  -7.677  -3.677
  106    HA   ALA  28           HA       ALA  28  16.187  -9.856  -4.961
  107   1HB   ALA  28          1HB       ALA  28  13.641  -9.831  -3.332
  108   2HB   ALA  28          2HB       ALA  28  15.252 -10.128  -2.700
  109   3HB   ALA  28          3HB       ALA  28  14.530 -11.266  -3.837
  110    H    GLU  29           H        GLU  29  14.293  -7.572  -6.031
  111    HA   GLU  29           HA       GLU  29  13.191  -7.126  -7.914
  112   1HB   GLU  29          2HB       GLU  29  14.774  -9.117  -8.736
  113   2HB   GLU  29          1HB       GLU  29  13.239  -9.966  -8.862
  114   1HG   GLU  29          2HG       GLU  29  13.769  -8.972 -10.986
  115   2HG   GLU  29          1HG       GLU  29  12.370  -8.138 -10.283
  116    H    ILE  30           H        ILE  30  11.982  -7.911  -5.500
  117    HA   ILE  30           HA       ILE  30   9.596  -9.365  -6.444
  118    HB   ILE  30           HB       ILE  30  10.578  -9.069  -3.594
  119   1HG1  ILE  30          2HG1      ILE  30  11.967 -10.644  -4.888
  120   2HG1  ILE  30          1HG1      ILE  30  11.008 -11.506  -3.705
  121   1HG2  ILE  30          1HG2      ILE  30   8.220 -10.585  -4.684
  122   2HG2  ILE  30          2HG2      ILE  30   8.178  -9.112  -3.716
  123   3HG2  ILE  30          3HG2      ILE  30   8.788 -10.618  -3.011
  124   1HD1  ILE  30          1HD1      ILE  30   9.428 -12.156  -5.443
  125   2HD1  ILE  30          2HD1      ILE  30  11.072 -12.685  -5.829
  126   3HD1  ILE  30          3HD1      ILE  30  10.384 -11.294  -6.650
  127    H    ARG  31           H        ARG  31   7.743  -8.413  -6.530
  128    HA   ARG  31           HA       ARG  31   7.454  -5.607  -5.851
  129   1HB   ARG  31          2HB       ARG  31   5.603  -7.563  -7.255
  130   2HB   ARG  31          1HB       ARG  31   5.236  -5.870  -6.992
  131   1HG   ARG  31          2HG       ARG  31   7.059  -5.218  -8.421
  132   2HG   ARG  31          1HG       ARG  31   7.559  -6.897  -8.657
  133   1HD   ARG  31          2HD       ARG  31   5.404  -7.400  -9.678
  134   2HD   ARG  31          1HD       ARG  31   4.856  -5.751  -9.410
  135    HE   ARG  31           HE       ARG  31   7.218  -5.748 -10.947
  136   1HH1  ARG  31          1HH1      ARG  31   3.776  -6.607 -11.247
  137   2HH1  ARG  31          2HH1      ARG  31   3.727  -6.275 -12.919
  138   1HH2  ARG  31          1HH2      ARG  31   7.067  -5.289 -13.294
  139   2HH2  ARG  31          2HH2      ARG  31   5.563  -5.517 -14.050
  140    H    TYR  32           H        TYR  32   6.597  -4.967  -3.936
  141    HA   TYR  32           HA       TYR  32   4.536  -6.651  -2.714
  142   1HB   TYR  32          2HB       TYR  32   6.604  -4.902  -1.342
  143   2HB   TYR  32          1HB       TYR  32   5.192  -5.547  -0.518
  144    HD1  TYR  32           HD1      TYR  32   8.553  -6.156  -1.606
  145    HD2  TYR  32           HD2      TYR  32   4.976  -8.102  -0.353
  146    HE1  TYR  32           HE1      TYR  32   9.845  -8.192  -1.133
  147    HE2  TYR  32           HE2      TYR  32   6.262 -10.159   0.130
  148    HH   TYR  32           HH       TYR  32   9.668 -10.220   0.244
  149    H    GLU  33           H        GLU  33   2.590  -5.717  -2.531
  150    HA   GLU  33           HA       GLU  33   2.409  -2.808  -2.787
  151   1HB   GLU  33          2HB       GLU  33   0.196  -3.198  -3.899
  152   2HB   GLU  33          1HB       GLU  33   1.554  -3.844  -4.815
  153   1HG   GLU  33          2HG       GLU  33   1.012  -6.091  -3.937
  154   2HG   GLU  33          1HG       GLU  33  -0.393  -5.417  -3.120
  155    H    GLY  34           H        GLY  34   1.437  -1.769  -1.164
  156   1HA   GLY  34          2HA       GLY  34  -0.587  -2.797   0.656
  157   2HA   GLY  34          1HA       GLY  34   1.028  -2.967   1.277
  158    H    ILE  35           H        ILE  35   0.491  -1.531   2.969
  159    HA   ILE  35           HA       ILE  35   0.609   1.069   1.905
  160    HB   ILE  35           HB       ILE  35  -0.596   1.721   4.187
  161   1HG1  ILE  35          2HG1      ILE  35  -2.437   0.201   4.756
  162   2HG1  ILE  35          1HG1      ILE  35  -1.900  -0.929   3.528
  163   1HG2  ILE  35          1HG2      ILE  35  -1.998   0.799   1.703
  164   2HG2  ILE  35          2HG2      ILE  35  -1.314   2.393   1.999
  165   3HG2  ILE  35          3HG2      ILE  35  -2.705   1.849   2.926
  166   1HD1  ILE  35          1HD1      ILE  35  -1.403  -1.594   5.791
  167   2HD1  ILE  35          2HD1      ILE  35  -0.318  -0.182   5.950
  168   3HD1  ILE  35          3HD1      ILE  35  -0.020  -1.443   4.725
  169    H    LEU  36           H        LEU  36   2.144   2.086   2.249
  170    HA   LEU  36           HA       LEU  36   4.450   1.292   3.697
  171   1HB   LEU  36          2HB       LEU  36   4.056   2.952   1.697
  172   2HB   LEU  36          1HB       LEU  36   3.896   4.152   2.965
  173    HG   LEU  36           HG       LEU  36   6.103   4.223   2.005
  174   1HD1  LEU  36          1HD1      LEU  36   7.513   3.924   3.978
  175   2HD1  LEU  36          2HD1      LEU  36   6.207   3.042   4.752
  176   3HD1  LEU  36          3HD1      LEU  36   5.992   4.743   4.335
  177   1HD2  LEU  36          1HD2      LEU  36   7.634   2.337   2.086
  178   2HD2  LEU  36          2HD2      LEU  36   6.183   1.933   1.168
  179   3HD2  LEU  36          3HD2      LEU  36   6.378   1.345   2.812
  180    H    TYR  37           H        TYR  37   5.075   1.701   5.817
  181    HA   TYR  37           HA       TYR  37   3.061   3.022   7.436
  182   1HB   TYR  37          2HB       TYR  37   3.752   0.724   8.075
  183   2HB   TYR  37          1HB       TYR  37   5.391   1.310   8.311
  184    HD1  TYR  37           HD1      TYR  37   1.909   1.881   9.553
  185    HD2  TYR  37           HD2      TYR  37   6.068   2.043  10.400
  186    HE1  TYR  37           HE1      TYR  37   1.399   2.410  11.897
  187    HE2  TYR  37           HE2      TYR  37   5.589   2.564  12.733
  188    HH   TYR  37           HH       TYR  37   3.743   3.545  14.072
  189    H    THR  38           H        THR  38   6.667   3.080   7.194
  190    HA   THR  38           HA       THR  38   6.628   5.929   7.700
  191    HB   THR  38           HB       THR  38   8.015   4.035   9.658
  192    HG1  THR  38           HG1      THR  38   5.546   5.114   9.597
  193   1HG2  THR  38          1HG2      THR  38   9.294   6.089   9.334
  194   2HG2  THR  38          2HG2      THR  38   8.521   6.108  10.928
  195   3HG2  THR  38          3HG2      THR  38   7.853   7.055   9.607
  196    H    ILE  39           H        ILE  39   8.719   6.926   7.209
  197    HA   ILE  39           HA       ILE  39  10.725   5.165   5.983
  198    HB   ILE  39           HB       ILE  39   9.782   7.847   4.933
  199   1HG1  ILE  39          2HG1      ILE  39   9.620   5.115   3.670
  200   2HG1  ILE  39          1HG1      ILE  39   8.266   5.998   4.365
  201   1HG2  ILE  39          1HG2      ILE  39  12.183   7.649   4.659
  202   2HG2  ILE  39          2HG2      ILE  39  11.369   7.488   3.089
  203   3HG2  ILE  39          3HG2      ILE  39  11.980   6.062   3.906
  204   1HD1  ILE  39          1HD1      ILE  39   8.277   6.213   1.923
  205   2HD1  ILE  39          2HD1      ILE  39   9.917   6.898   2.016
  206   3HD1  ILE  39          3HD1      ILE  39   8.561   7.770   2.715
  207    H    ASP  40           H        ASP  40  12.720   5.569   6.732
  208    HA   ASP  40           HA       ASP  40  13.142   8.000   8.268
  209   1HB   ASP  40          2HB       ASP  40  14.085   6.115   9.388
  210   2HB   ASP  40          1HB       ASP  40  14.818   5.535   7.896
  211    H    THR  41           H        THR  41  13.663   9.668   7.197
  212    HA   THR  41           HA       THR  41  14.599   9.566   4.523
  213    HB   THR  41           HB       THR  41  14.348  11.949   6.374
  214    HG1  THR  41           HG1      THR  41  12.547  10.271   5.192
  215   1HG2  THR  41          1HG2      THR  41  13.982  13.223   4.278
  216   2HG2  THR  41          2HG2      THR  41  14.205  11.746   3.343
  217   3HG2  THR  41          3HG2      THR  41  15.554  12.422   4.252
  218    H    GLU  42           H        GLU  42  16.349   9.317   7.507
  219    HA   GLU  42           HA       GLU  42  18.646  10.759   6.574
  220   1HB   GLU  42          2HB       GLU  42  18.220  10.623   8.977
  221   2HB   GLU  42          1HB       GLU  42  18.336   8.872   8.931
  222   1HG   GLU  42          2HG       GLU  42  20.709   9.074   8.222
  223   2HG   GLU  42          1HG       GLU  42  20.538  10.821   8.336
  224    H    ASN  43           H        ASN  43  17.963   7.338   7.204
  225    HA   ASN  43           HA       ASN  43  20.278   6.465   5.525
  226   1HB   ASN  43          2HB       ASN  43  18.452   4.881   7.372
  227   2HB   ASN  43          1HB       ASN  43  19.913   4.315   6.580
  228   1HD2  ASN  43          1HD2      ASN  43  18.618   6.348   9.076
  229   2HD2  ASN  43          2HD2      ASN  43  20.058   6.579   9.983
  230    H    SER  44           H        SER  44  17.220   7.288   5.177
  231    HA   SER  44           HA       SER  44  15.772   7.143   3.485
  232   1HB   SER  44          2HB       SER  44  18.008   5.669   2.067
  233   2HB   SER  44          1HB       SER  44  16.571   6.319   1.291
  234    HG   SER  44           HG       SER  44  18.060   8.017   2.898
  235    H    THR  45           H        THR  45  16.032   5.052   5.571
  236    HA   THR  45           HA       THR  45  15.485   2.554   4.347
  237    HB   THR  45           HB       THR  45  15.046   1.721   6.590
  238    HG1  THR  45           HG1      THR  45  15.926   3.877   8.004
  239   1HG2  THR  45          1HG2      THR  45  17.253   1.734   5.777
  240   2HG2  THR  45          2HG2      THR  45  17.307   2.096   7.504
  241   3HG2  THR  45          3HG2      THR  45  17.541   3.384   6.303
  242    H    VAL  46           H        VAL  46  13.561   1.320   4.700
  243    HA   VAL  46           HA       VAL  46  11.143   2.990   4.676
  244    HB   VAL  46           HB       VAL  46  11.786   0.673   2.841
  245   1HG1  VAL  46          1HG1      VAL  46   9.675   1.295   1.723
  246   2HG1  VAL  46          2HG1      VAL  46   9.397   2.480   3.007
  247   3HG1  VAL  46          3HG1      VAL  46   9.434   0.756   3.388
  248   1HG2  VAL  46          1HG2      VAL  46  11.552   3.625   2.230
  249   2HG2  VAL  46          2HG2      VAL  46  11.779   2.332   1.036
  250   3HG2  VAL  46          3HG2      VAL  46  13.029   2.665   2.229
  251    H    ALA  47           H        ALA  47   9.716   2.344   6.133
  252    HA   ALA  47           HA       ALA  47   9.908  -0.352   7.219
  253   1HB   ALA  47          1HB       ALA  47   8.554   0.508   9.060
  254   2HB   ALA  47          2HB       ALA  47   8.406   2.070   8.244
  255   3HB   ALA  47          3HB       ALA  47   9.971   1.531   8.821
  256    H    LEU  48           H        LEU  48   8.673  -1.769   6.191
  257    HA   LEU  48           HA       LEU  48   6.095  -0.860   5.131
  258   1HB   LEU  48          2HB       LEU  48   7.800  -1.514   3.453
  259   2HB   LEU  48          1HB       LEU  48   7.904  -3.095   4.193
  260    HG   LEU  48           HG       LEU  48   5.556  -3.468   3.628
  261   1HD1  LEU  48          1HD1      LEU  48   4.750  -1.202   3.527
  262   2HD1  LEU  48          2HD1      LEU  48   4.467  -1.998   1.973
  263   3HD1  LEU  48          3HD1      LEU  48   5.800  -0.855   2.155
  264   1HD2  LEU  48          1HD2      LEU  48   5.911  -3.791   1.228
  265   2HD2  LEU  48          2HD2      LEU  48   7.276  -4.334   2.189
  266   3HD2  LEU  48          3HD2      LEU  48   7.377  -2.817   1.313
  267    H    ALA  49           H        ALA  49   4.263  -1.871   5.897
  268    HA   ALA  49           HA       ALA  49   4.416  -4.381   7.228
  269   1HB   ALA  49          1HB       ALA  49   3.615  -3.464   9.375
  270   2HB   ALA  49          2HB       ALA  49   3.905  -1.833   8.772
  271   3HB   ALA  49          3HB       ALA  49   5.261  -2.959   8.985
  272    H    LYS  50           H        LYS  50   2.287  -5.079   7.752
  273    HA   LYS  50           HA       LYS  50   0.077  -5.408   7.347
  274   1HB   LYS  50          2HB       LYS  50  -0.232  -2.390   7.120
  275   2HB   LYS  50          1HB       LYS  50  -1.421  -3.594   7.623
  276   1HG   LYS  50          2HG       LYS  50  -0.096  -4.033   9.667
  277   2HG   LYS  50          1HG       LYS  50   1.025  -2.805   8.993
  278   1HD   LYS  50          2HD       LYS  50  -0.523  -1.062   9.244
  279   2HD   LYS  50          1HD       LYS  50  -1.859  -2.148   9.590
  280   1HE   LYS  50          2HE       LYS  50  -1.133  -1.029  11.620
  281   2HE   LYS  50          1HE       LYS  50  -0.846  -2.747  11.737
  282   1HZ   LYS  50          1HZ       LYS  50   1.483  -2.391  11.328
  283   2HZ   LYS  50          2HZ       LYS  50   1.015  -1.368  12.583
  284   3HZ   LYS  50          3HZ       LYS  50   1.246  -0.747  11.039
  285    H    VAL  51           H        VAL  51   1.949  -5.302   5.232
  286    HA   VAL  51           HA       VAL  51   1.102  -3.902   2.982
  287    HB   VAL  51           HB       VAL  51   2.531  -6.547   3.136
  288   1HG1  VAL  51          1HG1      VAL  51   2.633  -4.448   0.983
  289   2HG1  VAL  51          2HG1      VAL  51   1.826  -6.000   0.870
  290   3HG1  VAL  51          3HG1      VAL  51   3.594  -5.929   1.026
  291   1HG2  VAL  51          1HG2      VAL  51   4.598  -5.205   3.031
  292   2HG2  VAL  51          2HG2      VAL  51   3.691  -5.058   4.532
  293   3HG2  VAL  51          3HG2      VAL  51   3.607  -3.772   3.322
  294    H    ARG  52           H        ARG  52  -0.941  -4.313   2.005
  295    HA   ARG  52           HA       ARG  52  -1.659  -6.853   1.068
  296   1HB   ARG  52          2HB       ARG  52  -2.161  -7.022   3.519
  297   2HB   ARG  52          1HB       ARG  52  -3.290  -5.710   3.347
  298   1HG   ARG  52          2HG       ARG  52  -4.749  -7.010   2.014
  299   2HG   ARG  52          1HG       ARG  52  -3.553  -8.307   1.856
  300   1HD   ARG  52          2HD       ARG  52  -4.891  -7.384   4.382
  301   2HD   ARG  52          1HD       ARG  52  -5.257  -8.865   3.499
  302    HE   ARG  52           HE       ARG  52  -2.488  -8.766   4.177
  303   1HH1  ARG  52          1HH1      ARG  52  -5.641  -9.472   5.665
  304   2HH1  ARG  52          2HH1      ARG  52  -4.966 -10.557   6.804
  305   1HH2  ARG  52          1HH2      ARG  52  -1.597 -10.245   5.798
  306   2HH2  ARG  52          2HH2      ARG  52  -2.663 -10.990   6.862
  307    H    SER  53           H        SER  53  -3.858  -6.659  -0.083
  308    HA   SER  53           HA       SER  53  -3.972  -4.270  -1.585
  309   1HB   SER  53          2HB       SER  53  -6.114  -5.379  -2.430
  310   2HB   SER  53          1HB       SER  53  -4.591  -6.266  -2.650
  311    HG   SER  53           HG       SER  53  -6.561  -6.716  -0.615
  312    H    PHE  54           H        PHE  54  -5.671  -2.853  -1.904
  313    HA   PHE  54           HA       PHE  54  -7.088  -2.148   0.565
  314   1HB   PHE  54          2HB       PHE  54  -5.132  -0.691   0.224
  315   2HB   PHE  54          1HB       PHE  54  -5.669  -0.342  -1.410
  316    HD1  PHE  54           HD1      PHE  54  -7.496   1.208  -1.807
  317    HD2  PHE  54           HD2      PHE  54  -6.181   0.333   2.132
  318    HE1  PHE  54           HE1      PHE  54  -8.725   3.186  -0.964
  319    HE2  PHE  54           HE2      PHE  54  -7.410   2.307   2.983
  320    HZ   PHE  54           HZ       PHE  54  -8.672   3.719   1.432
  321    H    GLY  55           H        GLY  55  -9.288  -1.993   0.270
  322   1HA   GLY  55          2HA       GLY  55 -10.960  -0.690  -1.043
  323   2HA   GLY  55          1HA       GLY  55 -10.180  -1.368  -2.463
  324    H    THR  56           H        THR  56 -12.271  -2.060   0.273
  325    HA   THR  56           HA       THR  56 -13.280  -4.144  -1.336
  326    HB   THR  56           HB       THR  56 -12.456  -4.841   1.503
  327    HG1  THR  56           HG1      THR  56 -11.200  -4.872  -0.883
  328   1HG2  THR  56          1HG2      THR  56 -13.023  -7.159   0.896
  329   2HG2  THR  56          2HG2      THR  56 -13.615  -6.603  -0.678
  330   3HG2  THR  56          3HG2      THR  56 -14.453  -6.127   0.791
  331    H    GLU  57           H        GLU  57 -14.228  -4.119   2.101
  332    HA   GLU  57           HA       GLU  57 -16.149  -4.064   3.051
  333   1HB   GLU  57          2HB       GLU  57 -16.460  -1.587   1.384
  334   2HB   GLU  57          1HB       GLU  57 -17.627  -2.057   2.625
  335   1HG   GLU  57          2HG       GLU  57 -15.878  -1.930   4.318
  336   2HG   GLU  57          1HG       GLU  57 -14.699  -1.543   3.061
  337    H    ASP  58           H        ASP  58 -17.678  -2.826   0.218
  338    HA   ASP  58           HA       ASP  58 -19.249  -5.293   0.222
  339   1HB   ASP  58          2HB       ASP  58 -20.095  -2.516  -0.165
  340   2HB   ASP  58          1HB       ASP  58 -20.873  -3.663  -1.254
  341    H    ARG  59           H        ARG  59 -16.679  -4.504  -1.321
  342    HA   ARG  59           HA       ARG  59 -17.600  -5.823  -3.689
  343   1HB   ARG  59          2HB       ARG  59 -15.749  -3.488  -3.394
  344   2HB   ARG  59          1HB       ARG  59 -15.609  -4.616  -4.740
  345   1HG   ARG  59          2HG       ARG  59 -18.113  -3.011  -4.099
  346   2HG   ARG  59          1HG       ARG  59 -16.870  -2.478  -5.229
  347   1HD   ARG  59          2HD       ARG  59 -18.725  -3.493  -6.438
  348   2HD   ARG  59          1HD       ARG  59 -17.278  -4.479  -6.592
  349    HE   ARG  59           HE       ARG  59 -19.266  -5.184  -4.562
  350   1HH1  ARG  59          1HH1      ARG  59 -17.767  -5.891  -7.723
  351   2HH1  ARG  59          2HH1      ARG  59 -18.414  -7.449  -7.881
  352   1HH2  ARG  59          1HH2      ARG  59 -20.212  -7.339  -4.793
  353   2HH2  ARG  59          2HH2      ARG  59 -19.898  -8.316  -6.133
  354    HA   PRO  60           HA       PRO  60 -14.616  -8.333  -1.518
  355   1HB   PRO  60          2HB       PRO  60 -15.582 -10.386  -3.416
  356   2HB   PRO  60          1HB       PRO  60 -15.531 -10.428  -1.646
  357   1HG   PRO  60          2HG       PRO  60 -17.861 -10.182  -3.037
  358   2HG   PRO  60          1HG       PRO  60 -17.611  -9.455  -1.447
  359   1HD   PRO  60          2HD       PRO  60 -17.531  -8.178  -4.147
  360   2HD   PRO  60          1HD       PRO  60 -18.158  -7.546  -2.612
  361    H    THR  61           H        THR  61 -13.218  -6.880  -2.602
  362    HA   THR  61           HA       THR  61 -11.988  -6.861  -4.953
  363    HB   THR  61           HB       THR  61 -10.880  -5.774  -3.048
  364    HG1  THR  61           HG1      THR  61  -8.616  -6.893  -3.606
  365   1HG2  THR  61          1HG2      THR  61 -11.051  -7.592  -1.363
  366   2HG2  THR  61          2HG2      THR  61  -9.414  -7.011  -1.468
  367   3HG2  THR  61          3HG2      THR  61  -9.852  -8.521  -2.245
  368    H    ASP  62           H        ASP  62 -11.394  -9.663  -2.836
  369    HA   ASP  62           HA       ASP  62 -11.624 -11.659  -4.708
  370   1HB   ASP  62          2HB       ASP  62  -9.548 -10.886  -5.794
  371   2HB   ASP  62          1HB       ASP  62  -8.697 -10.878  -4.259
  372    H    ARG  63           H        ARG  63  -9.061 -11.187  -2.380
  373    HA   ARG  63           HA       ARG  63 -10.482 -12.750  -0.386
  374   1HB   ARG  63          2HB       ARG  63  -7.777 -13.511  -1.488
  375   2HB   ARG  63          1HB       ARG  63  -8.370 -14.101   0.050
  376   1HG   ARG  63          2HG       ARG  63 -10.160 -15.284  -1.084
  377   2HG   ARG  63          1HG       ARG  63  -9.672 -14.557  -2.618
  378   1HD   ARG  63          2HD       ARG  63  -7.593 -15.652  -2.595
  379   2HD   ARG  63          1HD       ARG  63  -7.833 -16.223  -0.941
  380    HE   ARG  63           HE       ARG  63  -9.878 -17.364  -2.102
  381   1HH1  ARG  63          1HH1      ARG  63  -6.554 -17.163  -3.381
  382   2HH1  ARG  63          2HH1      ARG  63  -6.597 -18.648  -4.173
  383   1HH2  ARG  63          1HH2      ARG  63  -9.940 -19.498  -3.194
  384   2HH2  ARG  63          2HH2      ARG  63  -8.585 -20.026  -4.045
  385    HA   PRO  64           HA       PRO  64  -6.683 -10.761   1.873
  386   1HB   PRO  64          2HB       PRO  64  -5.203  -8.909   0.466
  387   2HB   PRO  64          1HB       PRO  64  -4.758 -10.604   0.686
  388   1HG   PRO  64          2HG       PRO  64  -6.148  -9.304  -1.645
  389   2HG   PRO  64          1HG       PRO  64  -4.829 -10.518  -1.645
  390   1HD   PRO  64          2HD       PRO  64  -7.342 -11.167  -2.133
  391   2HD   PRO  64          1HD       PRO  64  -6.283 -12.221  -1.181
  392    H    ILE  65           H        ILE  65  -8.233  -9.721   3.019
  393    HA   ILE  65           HA       ILE  65  -8.548  -6.785   2.584
  394    HB   ILE  65           HB       ILE  65 -10.193  -8.414   4.543
  395   1HG1  ILE  65          2HG1      ILE  65 -11.009  -7.790   1.675
  396   2HG1  ILE  65          1HG1      ILE  65 -10.540  -9.393   2.212
  397   1HG2  ILE  65          1HG2      ILE  65 -11.780  -6.561   4.303
  398   2HG2  ILE  65          2HG2      ILE  65 -10.681  -5.767   3.177
  399   3HG2  ILE  65          3HG2      ILE  65 -10.197  -6.027   4.857
  400   1HD1  ILE  65          1HD1      ILE  65 -12.958  -9.154   2.090
  401   2HD1  ILE  65          2HD1      ILE  65 -12.894  -7.804   3.223
  402   3HD1  ILE  65          3HD1      ILE  65 -12.443  -9.427   3.756
  403    H    ALA  66           H        ALA  66  -7.908  -5.517   4.358
  404    HA   ALA  66           HA       ALA  66  -6.747  -6.974   6.604
  405   1HB   ALA  66          1HB       ALA  66  -6.450  -4.047   5.957
  406   2HB   ALA  66          2HB       ALA  66  -5.294  -5.275   5.470
  407   3HB   ALA  66          3HB       ALA  66  -5.556  -4.947   7.187
  408    HA   PRO  67           HA       PRO  67 -10.597  -5.505   8.482
  409   1HB   PRO  67          2HB       PRO  67 -10.881  -7.574  10.254
  410   2HB   PRO  67          1HB       PRO  67 -11.425  -7.653   8.580
  411   1HG   PRO  67          2HG       PRO  67  -9.117  -8.950   9.861
  412   2HG   PRO  67          1HG       PRO  67  -9.960  -9.396   8.364
  413   1HD   PRO  67          2HD       PRO  67  -7.459  -8.015   8.651
  414   2HD   PRO  67          1HD       PRO  67  -8.340  -8.395   7.156
  415    H    ARG  68           H        ARG  68  -7.710  -5.416   9.303
  416    HA   ARG  68           HA       ARG  68  -6.401  -4.264  10.799
  417   1HB   ARG  68          2HB       ARG  68  -8.121  -2.514  10.939
  418   2HB   ARG  68          1HB       ARG  68  -9.008  -3.452  12.113
  419   1HG   ARG  68          2HG       ARG  68  -7.185  -3.191  13.736
  420   2HG   ARG  68          1HG       ARG  68  -6.259  -2.294  12.543
  421   1HD   ARG  68          2HD       ARG  68  -7.959  -0.538  12.515
  422   2HD   ARG  68          1HD       ARG  68  -8.936  -1.449  13.660
  423    HE   ARG  68           HE       ARG  68  -6.637  -1.204  15.022
  424   1HH1  ARG  68          1HH1      ARG  68  -8.626   1.308  13.395
  425   2HH1  ARG  68          2HH1      ARG  68  -8.093   2.535  14.460
  426   1HH2  ARG  68          1HH2      ARG  68  -6.011   0.533  16.458
  427   2HH2  ARG  68          2HH2      ARG  68  -6.623   2.090  16.207
  428    H    ASP  69           H        ASP  69  -5.377  -6.032  11.470
  429    HA   ASP  69           HA       ASP  69  -5.997  -6.912  14.208
  430   1HB   ASP  69          2HB       ASP  69  -5.009  -8.654  11.919
  431   2HB   ASP  69          1HB       ASP  69  -5.086  -9.177  13.599
  432    H    GLU  70           H        GLU  70  -3.500  -7.551  11.765
  433    HA   GLU  70           HA       GLU  70  -1.444  -6.054  12.600
  434   1HB   GLU  70          2HB       GLU  70  -0.046  -7.684  13.878
  435   2HB   GLU  70          1HB       GLU  70  -1.496  -7.286  14.747
  436   1HG   GLU  70          2HG       GLU  70  -2.513  -9.394  14.077
  437   2HG   GLU  70          1HG       GLU  70  -1.059  -9.807  13.159
  438    H    THR  71           H        THR  71   0.656  -7.918  11.968
  439    HA   THR  71           HA       THR  71  -0.143  -9.199   9.522
  440    HB   THR  71           HB       THR  71   1.600  -6.706   9.524
  441    HG1  THR  71           HG1      THR  71  -1.034  -7.201   8.998
  442   1HG2  THR  71          1HG2      THR  71   0.784  -8.459   7.172
  443   2HG2  THR  71          2HG2      THR  71   2.406  -8.340   7.867
  444   3HG2  THR  71          3HG2      THR  71   1.694  -6.948   7.082
  445    H    PHE  72           H        PHE  72   1.519 -10.688   8.852
  446    HA   PHE  72           HA       PHE  72   3.812 -10.903  10.678
  447   1HB   PHE  72          2HB       PHE  72   2.606 -12.920   8.764
  448   2HB   PHE  72          1HB       PHE  72   3.939 -13.227   9.858
  449    HD1  PHE  72           HD1      PHE  72   0.354 -13.071   9.463
  450    HD2  PHE  72           HD2      PHE  72   3.512 -13.237  12.335
  451    HE1  PHE  72           HE1      PHE  72  -1.248 -13.764  11.188
  452    HE2  PHE  72           HE2      PHE  72   1.893 -13.929  14.069
  453    HZ   PHE  72           HZ       PHE  72  -0.491 -14.268  13.458
  454    H    GLU  73           H        GLU  73   2.696 -10.412   7.485
  455    HA   GLU  73           HA       GLU  73   4.945 -11.026   5.932
  456   1HB   GLU  73          2HB       GLU  73   2.814  -9.007   5.208
  457   2HB   GLU  73          1HB       GLU  73   3.817  -9.937   4.115
  458   1HG   GLU  73          2HG       GLU  73   1.738 -10.960   3.965
  459   2HG   GLU  73          1HG       GLU  73   2.573 -12.013   5.092
  460    H    TYR  74           H        TYR  74   4.680  -8.569   8.116
  461    HA   TYR  74           HA       TYR  74   5.638  -6.321   6.697
  462   1HB   TYR  74          2HB       TYR  74   5.955  -5.208   8.792
  463   2HB   TYR  74          1HB       TYR  74   4.446  -6.131   8.822
  464    HD1  TYR  74           HD1      TYR  74   4.492  -8.346   9.973
  465    HD2  TYR  74           HD2      TYR  74   7.494  -5.470  10.424
  466    HE1  TYR  74           HE1      TYR  74   5.202  -9.480  12.072
  467    HE2  TYR  74           HE2      TYR  74   8.262  -6.555  12.552
  468    HH   TYR  74           HH       TYR  74   7.327  -8.055  14.287
  469    H    ILE  75           H        ILE  75   7.695  -5.318   6.628
  470    HA   ILE  75           HA       ILE  75   9.972  -6.661   7.671
  471    HB   ILE  75           HB       ILE  75   9.611  -8.081   5.754
  472   1HG1  ILE  75          2HG1      ILE  75  11.877  -6.146   5.180
  473   2HG1  ILE  75          1HG1      ILE  75  11.959  -7.515   6.266
  474   1HG2  ILE  75          1HG2      ILE  75   8.202  -6.682   4.397
  475   2HG2  ILE  75          2HG2      ILE  75   9.556  -7.268   3.447
  476   3HG2  ILE  75          3HG2      ILE  75   9.553  -5.603   4.029
  477   1HD1  ILE  75          1HD1      ILE  75  13.048  -7.965   4.138
  478   2HD1  ILE  75          2HD1      ILE  75  11.525  -7.664   3.287
  479   3HD1  ILE  75          3HD1      ILE  75  11.666  -9.032   4.388
  480    H    ILE  76           H        ILE  76  11.750  -5.312   7.741
  481    HA   ILE  76           HA       ILE  76  11.275  -2.529   6.956
  482    HB   ILE  76           HB       ILE  76  13.294  -3.677   8.931
  483   1HG1  ILE  76          2HG1      ILE  76  11.016  -4.011   9.770
  484   2HG1  ILE  76          1HG1      ILE  76  11.849  -2.760  10.706
  485   1HG2  ILE  76          1HG2      ILE  76  12.495  -0.813   8.448
  486   2HG2  ILE  76          2HG2      ILE  76  14.024  -1.539   7.981
  487   3HG2  ILE  76          3HG2      ILE  76  13.624  -1.366   9.681
  488   1HD1  ILE  76          1HD1      ILE  76   9.513  -2.198  10.271
  489   2HD1  ILE  76          2HD1      ILE  76   9.807  -2.321   8.547
  490   3HD1  ILE  76          3HD1      ILE  76  10.600  -1.052   9.479
  491    H    PHE  77           H        PHE  77  12.704  -1.546   5.537
  492    HA   PHE  77           HA       PHE  77  14.766  -3.309   4.413
  493   1HB   PHE  77          2HB       PHE  77  13.286  -1.011   3.121
  494   2HB   PHE  77          1HB       PHE  77  14.569  -1.918   2.336
  495    HD1  PHE  77           HD1      PHE  77  14.215  -4.242   1.645
  496    HD2  PHE  77           HD2      PHE  77  11.085  -1.910   3.343
  497    HE1  PHE  77           HE1      PHE  77  12.557  -5.860   0.814
  498    HE2  PHE  77           HE2      PHE  77   9.430  -3.533   2.509
  499    HZ   PHE  77           HZ       PHE  77  10.187  -5.525   1.238
  500    H    ARG  78           H        ARG  78  16.851  -2.329   3.887
  501    HA   ARG  78           HA       ARG  78  17.480  -0.257   5.771
  502   1HB   ARG  78          2HB       ARG  78  19.217  -1.832   3.878
  503   2HB   ARG  78          1HB       ARG  78  19.868  -0.561   4.875
  504   1HG   ARG  78          2HG       ARG  78  20.347  -2.675   5.895
  505   2HG   ARG  78          1HG       ARG  78  19.159  -1.819   6.874
  506   1HD   ARG  78          2HD       ARG  78  18.611  -4.201   6.707
  507   2HD   ARG  78          1HD       ARG  78  17.379  -3.218   5.934
  508    HE   ARG  78           HE       ARG  78  18.768  -3.769   3.817
  509   1HH1  ARG  78          1HH1      ARG  78  17.991  -5.997   6.501
  510   2HH1  ARG  78          2HH1      ARG  78  18.092  -7.390   5.552
  511   1HH2  ARG  78          1HH2      ARG  78  18.838  -5.670   2.527
  512   2HH2  ARG  78          2HH2      ARG  78  18.567  -7.223   3.236
  513    H    GLY  79           H        GLY  79  16.028   0.016   3.002
  514   1HA   GLY  79          2HA       GLY  79  15.530   2.019   1.897
  515   2HA   GLY  79          1HA       GLY  79  16.957   2.747   2.632
  516    H    SER  80           H        SER  80  18.948   1.621   1.926
  517    HA   SER  80           HA       SER  80  19.303   2.046  -0.858
  518   1HB   SER  80          2HB       SER  80  21.126   2.192   0.849
  519   2HB   SER  80          1HB       SER  80  21.104   0.429   0.979
  520    HG   SER  80           HG       SER  80  22.753   1.225  -0.393
  521    H    ASP  81           H        ASP  81  17.946  -0.632   0.699
  522    HA   ASP  81           HA       ASP  81  18.619  -2.713  -1.193
  523   1HB   ASP  81          2HB       ASP  81  16.582  -2.601   1.020
  524   2HB   ASP  81          1HB       ASP  81  16.841  -4.023   0.026
  525    H    ILE  82           H        ILE  82  16.614  -0.099  -1.475
  526    HA   ILE  82           HA       ILE  82  14.432  -1.586  -2.605
  527    HB   ILE  82           HB       ILE  82  13.303   0.517  -3.125
  528   1HG1  ILE  82          2HG1      ILE  82  14.277   2.696  -2.120
  529   2HG1  ILE  82          1HG1      ILE  82  15.811   1.874  -2.054
  530   1HG2  ILE  82          1HG2      ILE  82  13.033  -0.491  -0.922
  531   2HG2  ILE  82          2HG2      ILE  82  12.891   1.250  -0.856
  532   3HG2  ILE  82          3HG2      ILE  82  14.389   0.466  -0.302
  533   1HD1  ILE  82          1HD1      ILE  82  15.702   3.330  -3.982
  534   2HD1  ILE  82          2HD1      ILE  82  14.233   2.529  -4.531
  535   3HD1  ILE  82          3HD1      ILE  82  15.761   1.657  -4.530
  536    H    LYS  83           H        LYS  83  13.796  -1.896  -4.655
  537    HA   LYS  83           HA       LYS  83  15.765  -1.284  -6.734
  538   1HB   LYS  83          2HB       LYS  83  14.913  -3.566  -6.556
  539   2HB   LYS  83          1HB       LYS  83  13.279  -2.977  -6.793
  540   1HG   LYS  83          2HG       LYS  83  14.162  -3.913  -8.778
  541   2HG   LYS  83          1HG       LYS  83  13.880  -2.181  -9.051
  542   1HD   LYS  83          2HD       LYS  83  15.983  -2.733 -10.070
  543   2HD   LYS  83          1HD       LYS  83  16.380  -1.888  -8.577
  544   1HE   LYS  83          2HE       LYS  83  17.819  -3.793  -8.806
  545   2HE   LYS  83          1HE       LYS  83  16.700  -4.101  -7.484
  546   1HZ   LYS  83          1HZ       LYS  83  16.896  -6.071  -8.895
  547   2HZ   LYS  83          2HZ       LYS  83  16.546  -5.181 -10.250
  548   3HZ   LYS  83          3HZ       LYS  83  15.343  -5.453  -9.165
  549    H    ASP  84           H        ASP  84  12.269  -1.107  -6.228
  550    HA   ASP  84           HA       ASP  84  12.226   1.466  -7.613
  551   1HB   ASP  84          2HB       ASP  84  11.460  -0.247  -9.262
  552   2HB   ASP  84          1HB       ASP  84  10.217  -0.758  -8.117
  553    H    LEU  85           H        LEU  85  10.825   2.887  -6.751
  554    HA   LEU  85           HA       LEU  85   9.105   2.042  -4.540
  555   1HB   LEU  85          2HB       LEU  85  11.321   2.861  -3.704
  556   2HB   LEU  85          1HB       LEU  85  11.040   4.377  -4.530
  557    HG   LEU  85           HG       LEU  85   9.049   4.721  -3.021
  558   1HD1  LEU  85          1HD1      LEU  85   8.701   2.364  -2.395
  559   2HD1  LEU  85          2HD1      LEU  85   8.887   3.418  -1.001
  560   3HD1  LEU  85          3HD1      LEU  85  10.235   2.399  -1.507
  561   1HD2  LEU  85          1HD2      LEU  85  11.721   4.399  -1.661
  562   2HD2  LEU  85          2HD2      LEU  85  10.390   5.384  -1.080
  563   3HD2  LEU  85          3HD2      LEU  85  11.215   5.818  -2.575
  564    H    THR  86           H        THR  86   7.198   2.501  -5.687
  565    HA   THR  86           HA       THR  86   6.954   5.256  -6.663
  566    HB   THR  86           HB       THR  86   5.904   2.809  -8.101
  567    HG1  THR  86           HG1      THR  86   8.015   2.828  -8.668
  568   1HG2  THR  86          1HG2      THR  86   5.338   4.414  -9.910
  569   2HG2  THR  86          2HG2      THR  86   5.927   5.724  -8.907
  570   3HG2  THR  86          3HG2      THR  86   4.500   4.814  -8.411
  571    H    VAL  87           H        VAL  87   5.501   6.184  -5.420
  572    HA   VAL  87           HA       VAL  87   3.383   4.756  -4.082
  573    HB   VAL  87           HB       VAL  87   4.554   6.562  -2.901
  574   1HG1  VAL  87          1HG1      VAL  87   5.114   8.040  -4.712
  575   2HG1  VAL  87          2HG1      VAL  87   4.227   8.930  -3.479
  576   3HG1  VAL  87          3HG1      VAL  87   3.415   8.434  -4.964
  577   1HG2  VAL  87          1HG2      VAL  87   2.644   7.827  -2.033
  578   2HG2  VAL  87          2HG2      VAL  87   2.246   6.120  -2.199
  579   3HG2  VAL  87          3HG2      VAL  87   1.659   7.292  -3.388
  580    H    CYS  88           H        CYS  88   1.202   4.817  -4.584
  581    HA   CYS  88           HA       CYS  88  -0.095   6.586  -6.298
  582   1HB   CYS  88          2HB       CYS  88   1.355   5.529  -8.048
  583   2HB   CYS  88          1HB       CYS  88   0.701   3.972  -7.607
  584    HG   CYS  88           HG       CYS  88  -1.836   4.411  -8.521
  585    H    GLU  89           H        GLU  89  -2.065   6.433  -5.385
  586    HA   GLU  89           HA       GLU  89  -3.024   4.063  -4.191
  587   1HB   GLU  89          2HB       GLU  89  -4.359   6.666  -4.986
  588   2HB   GLU  89          1HB       GLU  89  -5.243   5.342  -4.252
  589   1HG   GLU  89          2HG       GLU  89  -4.664   7.123  -2.671
  590   2HG   GLU  89          1HG       GLU  89  -4.004   5.557  -2.222
  591    HA   PRO  90           HA       PRO  90  -4.316   1.683  -7.677
  592   1HB   PRO  90          2HB       PRO  90  -6.775   0.835  -6.511
  593   2HB   PRO  90          1HB       PRO  90  -5.251  -0.048  -6.626
  594   1HG   PRO  90          2HG       PRO  90  -6.367   1.449  -4.327
  595   2HG   PRO  90          1HG       PRO  90  -5.174   0.145  -4.379
  596   1HD   PRO  90          2HD       PRO  90  -4.517   2.733  -3.847
  597   2HD   PRO  90          1HD       PRO  90  -3.411   1.578  -4.621
  598    HA   PRO  91           HA       PRO  91  -8.411   3.704  -8.910
  599   1HB   PRO  91          2HB       PRO  91  -9.463   5.738  -7.392
  600   2HB   PRO  91          1HB       PRO  91 -10.026   4.063  -7.374
  601   1HG   PRO  91          2HG       PRO  91  -8.613   5.506  -5.290
  602   2HG   PRO  91          1HG       PRO  91  -9.299   3.869  -5.244
  603   1HD   PRO  91          2HD       PRO  91  -6.507   4.681  -5.606
  604   2HD   PRO  91          1HD       PRO  91  -7.179   3.067  -5.295
  605    H    LYS  92           H        LYS  92  -7.002   4.493 -10.334
  606    HA   LYS  92           HA       LYS  92  -6.546   7.400 -10.209
  607   1HB   LYS  92          2HB       LYS  92  -4.458   5.936  -9.881
  608   2HB   LYS  92          1HB       LYS  92  -4.717   5.341 -11.497
  609   1HG   LYS  92          2HG       LYS  92  -2.960   6.988 -11.510
  610   2HG   LYS  92          1HG       LYS  92  -4.347   7.615 -12.382
  611   1HD   LYS  92          2HD       LYS  92  -4.919   9.070 -10.618
  612   2HD   LYS  92          1HD       LYS  92  -3.883   8.243  -9.467
  613   1HE   LYS  92          2HE       LYS  92  -2.877  10.373 -10.181
  614   2HE   LYS  92          1HE       LYS  92  -1.900   8.988 -10.651
  615   1HZ   LYS  92          1HZ       LYS  92  -2.006  10.616 -12.371
  616   2HZ   LYS  92          2HZ       LYS  92  -3.650  10.623 -12.449
  617   3HZ   LYS  92          3HZ       LYS  92  -2.760   9.245 -12.948
  618    HA   PRO  93           HA       PRO  93  -9.195   6.179 -13.803
  619   1HB   PRO  93          2HB       PRO  93 -10.360   8.863 -13.478
  620   2HB   PRO  93          1HB       PRO  93 -11.155   7.289 -13.400
  621   1HG   PRO  93          2HG       PRO  93 -10.810   8.795 -11.181
  622   2HG   PRO  93          1HG       PRO  93 -10.728   7.027 -11.159
  623   1HD   PRO  93          2HD       PRO  93  -8.497   9.022 -11.229
  624   2HD   PRO  93          1HD       PRO  93  -8.668   7.570 -10.190
  625    H    ILE  94           H        ILE  94  -7.396   9.077 -13.263
  626    HA   ILE  94           HA       ILE  94  -7.367   9.929 -16.025
  627    HB   ILE  94           HB       ILE  94  -5.515  10.732 -13.741
  628   1HG1  ILE  94          2HG1      ILE  94  -8.048  12.104 -14.673
  629   2HG1  ILE  94          1HG1      ILE  94  -7.877  11.161 -13.188
  630   1HG2  ILE  94          1HG2      ILE  94  -6.123  12.152 -16.352
  631   2HG2  ILE  94          2HG2      ILE  94  -4.602  11.360 -15.922
  632   3HG2  ILE  94          3HG2      ILE  94  -5.131  12.781 -15.041
  633   1HD1  ILE  94          1HD1      ILE  94  -7.790  13.541 -12.713
  634   2HD1  ILE  94          2HD1      ILE  94  -6.450  13.735 -13.837
  635   3HD1  ILE  94          3HD1      ILE  94  -6.239  12.786 -12.364
  636    H    MET  95           H        MET  95  -5.774   7.693 -14.080
  637    HA   MET  95           HA       MET  95  -3.955   6.422 -14.113
  638   1HB   MET  95          2HB       MET  95  -4.431   6.494 -17.108
  639   2HB   MET  95          1HB       MET  95  -3.324   5.395 -16.306
  640   1HG   MET  95          2HG       MET  95  -5.224   4.478 -15.025
  641   2HG   MET  95          1HG       MET  95  -6.299   5.531 -15.941
  642   1HE   MET  95          1HE       MET  95  -6.559   2.335 -15.741
  643   2HE   MET  95          2HE       MET  95  -7.034   1.993 -17.417
  644   3HE   MET  95          3HE       MET  95  -7.697   3.400 -16.573
  Start of MODEL    3
    1    HA   PRO  16           HA       PRO  16  -9.092  -1.902   4.827
    2   1HB   PRO  16          2HB       PRO  16  -8.384  -0.969   7.192
    3   2HB   PRO  16          1HB       PRO  16  -9.841  -1.968   7.040
    4   1HG   PRO  16          2HG       PRO  16  -7.114  -2.720   8.013
    5   2HG   PRO  16          1HG       PRO  16  -8.701  -3.185   8.656
    6   1HD   PRO  16          2HD       PRO  16  -7.170  -4.775   6.980
    7   2HD   PRO  16          1HD       PRO  16  -8.925  -4.906   7.186
    8    H    TYR  17           H        TYR  17  -7.745   0.180   5.614
    9    HA   TYR  17           HA       TYR  17  -4.925  -0.206   5.076
   10   1HB   TYR  17          2HB       TYR  17  -4.948   1.701   3.484
   11   2HB   TYR  17          1HB       TYR  17  -5.901   0.362   2.887
   12    HD1  TYR  17           HD1      TYR  17  -5.910   3.859   3.872
   13    HD2  TYR  17           HD2      TYR  17  -8.428   0.532   2.970
   14    HE1  TYR  17           HE1      TYR  17  -7.809   5.383   3.565
   15    HE2  TYR  17           HE2      TYR  17 -10.324   2.036   2.658
   16    HH   TYR  17           HH       TYR  17 -10.014   5.410   2.399
   17    H    ILE  18           H        ILE  18  -3.949   2.223   5.270
   18    HA   ILE  18           HA       ILE  18  -5.146   4.048   6.974
   19    HB   ILE  18           HB       ILE  18  -4.909   2.364   8.771
   20   1HG1  ILE  18          2HG1      ILE  18  -3.565   3.698  10.412
   21   2HG1  ILE  18          1HG1      ILE  18  -2.956   4.663   9.081
   22   1HG2  ILE  18          1HG2      ILE  18  -2.708   1.612   9.552
   23   2HG2  ILE  18          2HG2      ILE  18  -1.955   2.386   8.153
   24   3HG2  ILE  18          3HG2      ILE  18  -3.075   1.051   7.927
   25   1HD1  ILE  18          1HD1      ILE  18  -5.223   5.458   8.608
   26   2HD1  ILE  18          2HD1      ILE  18  -4.743   5.804  10.268
   27   3HD1  ILE  18          3HD1      ILE  18  -5.842   4.474   9.937
   28    H    GLY  19           H        GLY  19  -2.187   2.613   5.883
   29   1HA   GLY  19          2HA       GLY  19  -0.854   5.210   5.934
   30   2HA   GLY  19          1HA       GLY  19  -0.071   3.678   5.596
   31    H    SER  20           H        SER  20   0.861   4.767   3.734
   32    HA   SER  20           HA       SER  20  -1.032   5.460   1.642
   33   1HB   SER  20          2HB       SER  20   1.017   6.274   0.432
   34   2HB   SER  20          1HB       SER  20   0.712   7.060   1.986
   35    HG   SER  20           HG       SER  20   2.476   4.865   1.645
   36    H    LYS  21           H        LYS  21  -1.482   4.238  -0.070
   37    HA   LYS  21           HA       LYS  21  -0.389   1.610  -0.429
   38   1HB   LYS  21          2HB       LYS  21  -2.369   3.269  -1.939
   39   2HB   LYS  21          1HB       LYS  21  -1.757   1.772  -2.629
   40   1HG   LYS  21          2HG       LYS  21  -3.115   1.921   0.069
   41   2HG   LYS  21          1HG       LYS  21  -3.976   1.608  -1.451
   42   1HD   LYS  21          2HD       LYS  21  -2.494  -0.357  -1.806
   43   2HD   LYS  21          1HD       LYS  21  -1.756  -0.050  -0.237
   44   1HE   LYS  21          2HE       LYS  21  -3.927  -0.386   0.858
   45   2HE   LYS  21          1HE       LYS  21  -4.677  -0.605  -0.718
   46   1HZ   LYS  21          1HZ       LYS  21  -2.680  -2.405   0.559
   47   2HZ   LYS  21          2HZ       LYS  21  -3.171  -2.516  -1.031
   48   3HZ   LYS  21          3HZ       LYS  21  -4.294  -2.755   0.187
   49    H    ILE  22           H        ILE  22   1.515   1.277  -1.248
   50    HA   ILE  22           HA       ILE  22   2.296   2.652  -3.700
   51    HB   ILE  22           HB       ILE  22   4.550   3.110  -3.028
   52   1HG1  ILE  22          2HG1      ILE  22   5.063   1.266  -1.524
   53   2HG1  ILE  22          1HG1      ILE  22   5.444   2.772  -0.714
   54   1HG2  ILE  22          1HG2      ILE  22   3.093   4.880  -2.553
   55   2HG2  ILE  22          2HG2      ILE  22   4.324   4.829  -1.283
   56   3HG2  ILE  22          3HG2      ILE  22   2.704   4.247  -0.959
   57   1HD1  ILE  22          1HD1      ILE  22   4.436   1.184   0.807
   58   2HD1  ILE  22          2HD1      ILE  22   3.056   1.017  -0.262
   59   3HD1  ILE  22          3HD1      ILE  22   3.345   2.552   0.561
   60    H    SER  23           H        SER  23   4.157   1.542  -4.709
   61    HA   SER  23           HA       SER  23   4.248  -1.310  -4.058
   62   1HB   SER  23          2HB       SER  23   2.965  -0.952  -6.111
   63   2HB   SER  23          1HB       SER  23   4.225   0.094  -6.746
   64    HG   SER  23           HG       SER  23   5.341  -1.578  -7.295
   65    H    LEU  24           H        LEU  24   6.248  -1.768  -3.354
   66    HA   LEU  24           HA       LEU  24   8.484  -0.203  -4.472
   67   1HB   LEU  24          2HB       LEU  24   7.765   0.226  -1.982
   68   2HB   LEU  24          1HB       LEU  24   8.426  -1.359  -1.677
   69    HG   LEU  24           HG       LEU  24   9.992   1.039  -2.640
   70   1HD1  LEU  24          1HD1      LEU  24   9.271   1.249  -0.342
   71   2HD1  LEU  24          2HD1      LEU  24  11.016   0.930  -0.414
   72   3HD1  LEU  24          3HD1      LEU  24   9.899  -0.360   0.003
   73   1HD2  LEU  24          1HD2      LEU  24  11.966  -0.317  -2.220
   74   2HD2  LEU  24          2HD2      LEU  24  10.965  -1.075  -3.473
   75   3HD2  LEU  24          3HD2      LEU  24  10.948  -1.693  -1.818
   76    H    ILE  25           H        ILE  25   9.988  -1.460  -5.372
   77    HA   ILE  25           HA       ILE  25   9.663  -4.351  -5.059
   78    HB   ILE  25           HB       ILE  25  11.306  -2.917  -7.169
   79   1HG1  ILE  25          2HG1      ILE  25   8.532  -4.144  -7.396
   80   2HG1  ILE  25          1HG1      ILE  25   8.883  -2.425  -7.388
   81   1HG2  ILE  25          1HG2      ILE  25  11.282  -5.153  -8.283
   82   2HG2  ILE  25          2HG2      ILE  25  10.429  -5.815  -6.882
   83   3HG2  ILE  25          3HG2      ILE  25  12.049  -5.185  -6.700
   84   1HD1  ILE  25          1HD1      ILE  25   9.793  -4.405  -9.452
   85   2HD1  ILE  25          2HD1      ILE  25  10.160  -2.688  -9.479
   86   3HD1  ILE  25          3HD1      ILE  25   8.474  -3.246  -9.628
   87    H    SER  26           H        SER  26  10.990  -5.423  -3.885
   88    HA   SER  26           HA       SER  26  13.321  -4.252  -2.670
   89   1HB   SER  26          2HB       SER  26  13.536  -6.513  -1.607
   90   2HB   SER  26          1HB       SER  26  11.947  -5.809  -1.359
   91    HG   SER  26           HG       SER  26  11.072  -7.285  -2.612
   92    H    LYS  27           H        LYS  27  15.465  -5.335  -2.723
   93    HA   LYS  27           HA       LYS  27  16.620  -5.322  -5.188
   94   1HB   LYS  27          2HB       LYS  27  18.648  -6.008  -4.183
   95   2HB   LYS  27          1HB       LYS  27  17.763  -5.105  -2.973
   96   1HG   LYS  27          2HG       LYS  27  18.020  -8.122  -3.093
   97   2HG   LYS  27          1HG       LYS  27  18.942  -7.065  -2.041
   98   1HD   LYS  27          2HD       LYS  27  16.849  -6.442  -0.903
   99   2HD   LYS  27          1HD       LYS  27  15.951  -7.551  -1.951
  100   1HE   LYS  27          2HE       LYS  27  17.372  -9.408  -1.169
  101   2HE   LYS  27          1HE       LYS  27  18.217  -8.306  -0.095
  102   1HZ   LYS  27          1HZ       LYS  27  15.356  -9.094   0.074
  103   2HZ   LYS  27          2HZ       LYS  27  16.124  -8.029   1.161
  104   3HZ   LYS  27          3HZ       LYS  27  16.594  -9.620   1.037
  105    H    ALA  28           H        ALA  28  14.969  -7.964  -3.782
  106    HA   ALA  28           HA       ALA  28  16.234  -9.987  -5.453
  107   1HB   ALA  28          1HB       ALA  28  14.808 -11.555  -4.211
  108   2HB   ALA  28          2HB       ALA  28  14.019 -10.205  -3.406
  109   3HB   ALA  28          3HB       ALA  28  15.729 -10.529  -3.113
  110    H    GLU  29           H        GLU  29  14.537  -7.730  -6.432
  111    HA   GLU  29           HA       GLU  29  12.831  -7.202  -7.696
  112   1HB   GLU  29          2HB       GLU  29  12.483  -8.583  -9.778
  113   2HB   GLU  29          1HB       GLU  29  14.143  -8.091  -9.483
  114   1HG   GLU  29          2HG       GLU  29  14.633 -10.354  -8.675
  115   2HG   GLU  29          1HG       GLU  29  12.947 -10.797  -8.952
  116    H    ILE  30           H        ILE  30  11.822  -7.778  -5.571
  117    HA   ILE  30           HA       ILE  30   9.412  -9.323  -6.262
  118    HB   ILE  30           HB       ILE  30  10.517  -8.935  -3.453
  119   1HG1  ILE  30          2HG1      ILE  30  10.394 -11.422  -5.191
  120   2HG1  ILE  30          1HG1      ILE  30  11.858 -10.495  -4.846
  121   1HG2  ILE  30          1HG2      ILE  30   8.190 -10.567  -4.483
  122   2HG2  ILE  30          2HG2      ILE  30   8.084  -9.052  -3.570
  123   3HG2  ILE  30          3HG2      ILE  30   8.752 -10.502  -2.801
  124   1HD1  ILE  30          1HD1      ILE  30  10.176 -11.992  -2.835
  125   2HD1  ILE  30          2HD1      ILE  30  11.649 -11.076  -2.483
  126   3HD1  ILE  30          3HD1      ILE  30  11.737 -12.518  -3.485
  127    H    ARG  31           H        ARG  31   7.688  -8.164  -6.533
  128    HA   ARG  31           HA       ARG  31   7.601  -5.401  -5.761
  129   1HB   ARG  31          2HB       ARG  31   6.849  -6.139  -7.992
  130   2HB   ARG  31          1HB       ARG  31   5.600  -7.132  -7.243
  131   1HG   ARG  31          2HG       ARG  31   5.678  -4.103  -7.060
  132   2HG   ARG  31          1HG       ARG  31   4.873  -4.966  -8.354
  133   1HD   ARG  31          2HD       ARG  31   4.169  -5.143  -5.400
  134   2HD   ARG  31          1HD       ARG  31   3.287  -4.238  -6.636
  135    HE   ARG  31           HE       ARG  31   3.604  -7.125  -6.934
  136   1HH1  ARG  31          1HH1      ARG  31   1.346  -4.327  -6.373
  137   2HH1  ARG  31          2HH1      ARG  31  -0.020  -5.253  -6.520
  138   1HH2  ARG  31          1HH2      ARG  31   1.560  -8.384  -7.133
  139   2HH2  ARG  31          2HH2      ARG  31   0.074  -7.587  -6.958
  140    H    TYR  32           H        TYR  32   7.147  -4.990  -3.692
  141    HA   TYR  32           HA       TYR  32   4.876  -6.373  -2.521
  142   1HB   TYR  32          2HB       TYR  32   7.163  -4.907  -1.253
  143   2HB   TYR  32          1HB       TYR  32   5.678  -5.242  -0.360
  144    HD1  TYR  32           HD1      TYR  32   8.892  -6.509  -1.222
  145    HD2  TYR  32           HD2      TYR  32   4.907  -7.721  -0.355
  146    HE1  TYR  32           HE1      TYR  32   9.709  -8.761  -0.658
  147    HE2  TYR  32           HE2      TYR  32   5.698  -9.966   0.216
  148    HH   TYR  32           HH       TYR  32   8.949 -10.728   0.709
  149    H    GLU  33           H        GLU  33   3.052  -5.313  -1.990
  150    HA   GLU  33           HA       GLU  33   2.978  -2.411  -2.311
  151   1HB   GLU  33          2HB       GLU  33   2.233  -3.605  -4.365
  152   2HB   GLU  33          1HB       GLU  33   1.007  -4.386  -3.412
  153   1HG   GLU  33          2HG       GLU  33   0.056  -2.162  -2.866
  154   2HG   GLU  33          1HG       GLU  33   1.234  -1.440  -3.958
  155    H    GLY  34           H        GLY  34   1.914  -1.495  -0.695
  156   1HA   GLY  34          2HA       GLY  34  -0.287  -2.650   0.665
  157   2HA   GLY  34          1HA       GLY  34   1.189  -2.881   1.586
  158    H    ILE  35           H        ILE  35   0.453  -1.456   3.299
  159    HA   ILE  35           HA       ILE  35   0.459   1.224   2.334
  160    HB   ILE  35           HB       ILE  35  -0.707   1.843   4.467
  161   1HG1  ILE  35          2HG1      ILE  35  -0.459  -0.437   5.590
  162   2HG1  ILE  35          1HG1      ILE  35  -2.065   0.283   5.681
  163   1HG2  ILE  35          1HG2      ILE  35  -2.950   1.420   3.520
  164   2HG2  ILE  35          2HG2      ILE  35  -2.219   0.285   2.380
  165   3HG2  ILE  35          3HG2      ILE  35  -1.778   1.993   2.331
  166   1HD1  ILE  35          1HD1      ILE  35  -1.212  -1.925   3.809
  167   2HD1  ILE  35          2HD1      ILE  35  -2.809  -1.212   3.877
  168   3HD1  ILE  35          3HD1      ILE  35  -2.197  -2.105   5.267
  169    H    LEU  36           H        LEU  36   2.184   2.058   2.557
  170    HA   LEU  36           HA       LEU  36   4.309   1.473   4.304
  171   1HB   LEU  36          2HB       LEU  36   4.537   2.706   2.177
  172   2HB   LEU  36          1HB       LEU  36   3.733   4.073   2.881
  173    HG   LEU  36           HG       LEU  36   6.383   3.058   3.938
  174   1HD1  LEU  36          1HD1      LEU  36   6.560   3.537   1.582
  175   2HD1  LEU  36          2HD1      LEU  36   7.410   4.771   2.538
  176   3HD1  LEU  36          3HD1      LEU  36   5.826   5.124   1.828
  177   1HD2  LEU  36          1HD2      LEU  36   5.024   5.761   4.062
  178   2HD2  LEU  36          2HD2      LEU  36   6.580   5.350   4.788
  179   3HD2  LEU  36          3HD2      LEU  36   5.111   4.603   5.389
  180    H    TYR  37           H        TYR  37   4.959   2.142   6.243
  181    HA   TYR  37           HA       TYR  37   3.010   3.620   7.799
  182   1HB   TYR  37          2HB       TYR  37   3.518   1.407   8.666
  183   2HB   TYR  37          1HB       TYR  37   5.233   1.738   8.619
  184    HD1  TYR  37           HD1      TYR  37   2.135   3.223  10.147
  185    HD2  TYR  37           HD2      TYR  37   6.257   2.240  10.628
  186    HE1  TYR  37           HE1      TYR  37   2.062   4.014  12.477
  187    HE2  TYR  37           HE2      TYR  37   6.183   3.033  12.952
  188    HH   TYR  37           HH       TYR  37   3.287   3.693  14.570
  189    H    THR  38           H        THR  38   6.621   3.447   7.588
  190    HA   THR  38           HA       THR  38   6.742   6.339   7.833
  191    HB   THR  38           HB       THR  38   8.023   4.504   9.894
  192    HG1  THR  38           HG1      THR  38   5.613   5.772   9.760
  193   1HG2  THR  38          1HG2      THR  38   7.963   7.535   9.742
  194   2HG2  THR  38          2HG2      THR  38   9.373   6.538   9.429
  195   3HG2  THR  38          3HG2      THR  38   8.662   6.580  11.046
  196    H    ILE  39           H        ILE  39   8.908   7.162   7.262
  197    HA   ILE  39           HA       ILE  39  10.668   5.148   6.041
  198    HB   ILE  39           HB       ILE  39  10.461   8.048   5.178
  199   1HG1  ILE  39          2HG1      ILE  39   9.470   6.982   2.999
  200   2HG1  ILE  39          1HG1      ILE  39   9.013   5.660   4.075
  201   1HG2  ILE  39          1HG2      ILE  39  11.714   7.308   3.203
  202   2HG2  ILE  39          2HG2      ILE  39  11.868   5.706   3.926
  203   3HG2  ILE  39          3HG2      ILE  39  12.596   7.098   4.705
  204   1HD1  ILE  39          1HD1      ILE  39   7.167   7.204   3.767
  205   2HD1  ILE  39          2HD1      ILE  39   8.155   8.526   4.391
  206   3HD1  ILE  39          3HD1      ILE  39   7.722   7.166   5.443
  207    H    ASP  40           H        ASP  40  12.647   5.137   6.887
  208    HA   ASP  40           HA       ASP  40  13.386   7.211   8.772
  209   1HB   ASP  40          2HB       ASP  40  13.876   4.912   9.431
  210   2HB   ASP  40          1HB       ASP  40  14.757   4.652   7.932
  211    H    THR  41           H        THR  41  14.075   8.977   7.845
  212    HA   THR  41           HA       THR  41  15.147   9.020   5.217
  213    HB   THR  41           HB       THR  41  13.731  10.855   6.023
  214    HG1  THR  41           HG1      THR  41  16.393  11.613   5.425
  215   1HG2  THR  41          1HG2      THR  41  14.600  12.505   7.640
  216   2HG2  THR  41          2HG2      THR  41  16.019  11.494   7.911
  217   3HG2  THR  41          3HG2      THR  41  14.414  10.913   8.371
  218    H    GLU  42           H        GLU  42  16.715   8.269   8.081
  219    HA   GLU  42           HA       GLU  42  19.188   9.631   7.478
  220   1HB   GLU  42          2HB       GLU  42  18.598   7.518   9.568
  221   2HB   GLU  42          1HB       GLU  42  20.068   8.481   9.431
  222   1HG   GLU  42          2HG       GLU  42  17.322   9.608   9.950
  223   2HG   GLU  42          1HG       GLU  42  18.548   9.320  11.196
  224    H    ASN  43           H        ASN  43  18.156   6.235   7.785
  225    HA   ASN  43           HA       ASN  43  20.468   5.227   6.220
  226   1HB   ASN  43          2HB       ASN  43  18.131   3.806   7.504
  227   2HB   ASN  43          1HB       ASN  43  19.529   3.042   6.753
  228   1HD2  ASN  43          1HD2      ASN  43  18.332   4.787   9.524
  229   2HD2  ASN  43          2HD2      ASN  43  19.670   4.412  10.561
  230    H    SER  44           H        SER  44  17.407   6.398   5.663
  231    HA   SER  44           HA       SER  44  16.069   6.528   3.842
  232   1HB   SER  44          2HB       SER  44  18.221   4.948   2.390
  233   2HB   SER  44          1HB       SER  44  16.893   5.838   1.628
  234    HG   SER  44           HG       SER  44  18.682   7.112   3.374
  235    H    THR  45           H        THR  45  16.129   4.318   5.785
  236    HA   THR  45           HA       THR  45  15.277   2.020   4.254
  237    HB   THR  45           HB       THR  45  15.051   0.844   6.371
  238    HG1  THR  45           HG1      THR  45  15.952   3.310   7.541
  239   1HG2  THR  45          1HG2      THR  45  17.155   0.818   5.280
  240   2HG2  THR  45          2HG2      THR  45  17.430   0.864   7.030
  241   3HG2  THR  45          3HG2      THR  45  17.637   2.324   6.051
  242    H    VAL  46           H        VAL  46  13.284   1.088   4.289
  243    HA   VAL  46           HA       VAL  46  11.146   2.962   4.939
  244    HB   VAL  46           HB       VAL  46  11.199   0.775   2.837
  245   1HG1  VAL  46          1HG1      VAL  46   9.000   2.765   3.467
  246   2HG1  VAL  46          2HG1      VAL  46   8.957   1.012   3.774
  247   3HG1  VAL  46          3HG1      VAL  46   9.013   1.606   2.135
  248   1HG2  VAL  46          1HG2      VAL  46  12.528   2.729   2.233
  249   2HG2  VAL  46          2HG2      VAL  46  11.179   3.787   2.595
  250   3HG2  VAL  46          3HG2      VAL  46  11.067   2.661   1.248
  251    H    ALA  47           H        ALA  47   9.663   2.415   6.438
  252    HA   ALA  47           HA       ALA  47   9.742  -0.297   7.478
  253   1HB   ALA  47          1HB       ALA  47   8.621   2.249   8.658
  254   2HB   ALA  47          2HB       ALA  47  10.148   1.504   9.115
  255   3HB   ALA  47          3HB       ALA  47   8.621   0.679   9.454
  256    H    LEU  48           H        LEU  48   8.307  -1.571   6.583
  257    HA   LEU  48           HA       LEU  48   5.714  -0.479   5.875
  258   1HB   LEU  48          2HB       LEU  48   7.448  -2.525   4.728
  259   2HB   LEU  48          1HB       LEU  48   5.725  -2.839   4.655
  260    HG   LEU  48           HG       LEU  48   6.948  -0.287   3.591
  261   1HD1  LEU  48          1HD1      LEU  48   6.666  -1.365   1.388
  262   2HD1  LEU  48          2HD1      LEU  48   6.228  -2.873   2.224
  263   3HD1  LEU  48          3HD1      LEU  48   7.841  -2.179   2.418
  264   1HD2  LEU  48          1HD2      LEU  48   4.809  -0.069   2.511
  265   2HD2  LEU  48          2HD2      LEU  48   4.490  -0.434   4.243
  266   3HD2  LEU  48          3HD2      LEU  48   4.335  -1.665   3.054
  267    H    ALA  49           H        ALA  49   3.859  -1.573   6.376
  268    HA   ALA  49           HA       ALA  49   3.944  -3.816   8.115
  269   1HB   ALA  49          1HB       ALA  49   2.982  -1.098   9.024
  270   2HB   ALA  49          2HB       ALA  49   4.337  -1.996   9.702
  271   3HB   ALA  49          3HB       ALA  49   2.685  -2.613   9.874
  272    H    LYS  50           H        LYS  50   1.995  -4.800   8.120
  273    HA   LYS  50           HA       LYS  50  -0.081  -5.410   7.431
  274   1HB   LYS  50          2HB       LYS  50  -0.543  -2.451   7.045
  275   2HB   LYS  50          1HB       LYS  50  -1.771  -3.695   7.204
  276   1HG   LYS  50          2HG       LYS  50  -0.927  -4.193   9.470
  277   2HG   LYS  50          1HG       LYS  50   0.221  -2.862   9.209
  278   1HD   LYS  50          2HD       LYS  50  -1.726  -2.159  10.545
  279   2HD   LYS  50          1HD       LYS  50  -1.579  -1.294   9.011
  280   1HE   LYS  50          2HE       LYS  50  -3.354  -2.441   8.055
  281   2HE   LYS  50          1HE       LYS  50  -3.315  -3.740   9.246
  282   1HZ   LYS  50          1HZ       LYS  50  -5.156  -2.200   9.586
  283   2HZ   LYS  50          2HZ       LYS  50  -4.016  -0.937   9.937
  284   3HZ   LYS  50          3HZ       LYS  50  -4.055  -2.374  10.841
  285    H    VAL  51           H        VAL  51   2.105  -5.182   5.506
  286    HA   VAL  51           HA       VAL  51   1.187  -3.953   3.158
  287    HB   VAL  51           HB       VAL  51   3.144  -6.226   3.487
  288   1HG1  VAL  51          1HG1      VAL  51   2.836  -4.244   1.228
  289   2HG1  VAL  51          2HG1      VAL  51   2.515  -5.976   1.148
  290   3HG1  VAL  51          3HG1      VAL  51   4.155  -5.399   1.388
  291   1HG2  VAL  51          1HG2      VAL  51   3.779  -4.415   4.876
  292   2HG2  VAL  51          2HG2      VAL  51   3.521  -3.266   3.574
  293   3HG2  VAL  51          3HG2      VAL  51   4.846  -4.440   3.465
  294    H    ARG  52           H        ARG  52  -0.675  -4.672   2.265
  295    HA   ARG  52           HA       ARG  52  -0.848  -7.150   0.960
  296   1HB   ARG  52          2HB       ARG  52  -1.552  -7.865   3.176
  297   2HB   ARG  52          1HB       ARG  52  -2.748  -6.596   3.249
  298   1HG   ARG  52          2HG       ARG  52  -4.011  -7.598   1.379
  299   2HG   ARG  52          1HG       ARG  52  -2.821  -8.889   1.253
  300   1HD   ARG  52          2HD       ARG  52  -3.449  -9.781   3.388
  301   2HD   ARG  52          1HD       ARG  52  -4.438  -8.363   3.748
  302    HE   ARG  52           HE       ARG  52  -5.592  -9.365   1.489
  303   1HH1  ARG  52          1HH1      ARG  52  -4.910 -10.913   4.620
  304   2HH1  ARG  52          2HH1      ARG  52  -6.243 -11.966   4.517
  305   1HH2  ARG  52          1HH2      ARG  52  -7.464 -10.804   1.394
  306   2HH2  ARG  52          2HH2      ARG  52  -7.728 -11.896   2.587
  307    H    SER  53           H        SER  53  -1.822  -6.589  -0.931
  308    HA   SER  53           HA       SER  53  -3.955  -4.604  -0.736
  309   1HB   SER  53          2HB       SER  53  -2.110  -5.106  -3.085
  310   2HB   SER  53          1HB       SER  53  -3.550  -4.076  -3.130
  311    HG   SER  53           HG       SER  53  -1.646  -3.016  -2.864
  312    H    PHE  54           H        PHE  54  -5.331  -6.325  -0.188
  313    HA   PHE  54           HA       PHE  54  -6.747  -7.329  -2.367
  314   1HB   PHE  54          2HB       PHE  54  -4.732  -8.844  -2.452
  315   2HB   PHE  54          1HB       PHE  54  -5.139  -9.445  -0.866
  316    HD1  PHE  54           HD1      PHE  54  -7.168 -10.799  -0.524
  317    HD2  PHE  54           HD2      PHE  54  -5.937  -9.595  -4.418
  318    HE1  PHE  54           HE1      PHE  54  -8.635 -12.506  -1.518
  319    HE2  PHE  54           HE2      PHE  54  -7.398 -11.295  -5.405
  320    HZ   PHE  54           HZ       PHE  54  -8.736 -12.734  -4.013
  321    H    GLY  55           H        GLY  55  -8.563  -6.540  -1.186
  322   1HA   GLY  55          2HA       GLY  55  -9.224  -8.129   1.109
  323   2HA   GLY  55          1HA       GLY  55  -9.653  -6.414   0.913
  324    H    THR  56           H        THR  56 -11.886  -6.975   0.897
  325    HA   THR  56           HA       THR  56 -13.880  -7.595   0.130
  326    HB   THR  56           HB       THR  56 -14.353  -7.520  -2.294
  327    HG1  THR  56           HG1      THR  56 -11.596  -7.865  -2.582
  328   1HG2  THR  56          1HG2      THR  56 -13.976  -5.290  -1.325
  329   2HG2  THR  56          2HG2      THR  56 -13.492  -5.395  -2.987
  330   3HG2  THR  56          3HG2      THR  56 -12.245  -5.437  -1.715
  331    H    GLU  57           H        GLU  57 -11.293  -9.578  -1.150
  332    HA   GLU  57           HA       GLU  57 -11.085 -11.639  -1.757
  333   1HB   GLU  57          2HB       GLU  57 -13.242 -12.219   0.248
  334   2HB   GLU  57          1HB       GLU  57 -11.961 -13.340  -0.264
  335   1HG   GLU  57          2HG       GLU  57 -11.663 -10.804   1.331
  336   2HG   GLU  57          1HG       GLU  57 -11.517 -12.431   1.990
  337    H    ASP  58           H        ASP  58 -12.167 -10.663  -3.651
  338    HA   ASP  58           HA       ASP  58 -13.353 -10.849  -5.561
  339   1HB   ASP  58          2HB       ASP  58 -14.160 -13.504  -4.383
  340   2HB   ASP  58          1HB       ASP  58 -14.657 -12.999  -5.992
  341    H    ARG  59           H        ARG  59 -14.477  -9.411  -3.422
  342    HA   ARG  59           HA       ARG  59 -17.304  -9.416  -4.218
  343   1HB   ARG  59          2HB       ARG  59 -16.200  -9.243  -1.406
  344   2HB   ARG  59          1HB       ARG  59 -17.841  -8.770  -1.805
  345   1HG   ARG  59          2HG       ARG  59 -16.683 -11.517  -2.218
  346   2HG   ARG  59          1HG       ARG  59 -17.689 -11.027  -0.852
  347   1HD   ARG  59          2HD       ARG  59 -19.518 -10.525  -2.367
  348   2HD   ARG  59          1HD       ARG  59 -18.528 -10.934  -3.759
  349    HE   ARG  59           HE       ARG  59 -18.440 -13.170  -2.293
  350   1HH1  ARG  59          1HH1      ARG  59 -21.197 -11.172  -3.338
  351   2HH1  ARG  59          2HH1      ARG  59 -22.255 -12.470  -3.526
  352   1HH2  ARG  59          1HH2      ARG  59 -19.967 -15.007  -2.531
  353   2HH2  ARG  59          2HH2      ARG  59 -21.547 -14.652  -3.065
  354    HA   PRO  60           HA       PRO  60 -16.273  -4.976  -3.963
  355   1HB   PRO  60          2HB       PRO  60 -18.677  -3.837  -3.954
  356   2HB   PRO  60          1HB       PRO  60 -17.991  -4.815  -5.267
  357   1HG   PRO  60          2HG       PRO  60 -20.271  -5.498  -3.498
  358   2HG   PRO  60          1HG       PRO  60 -19.791  -6.267  -5.024
  359   1HD   PRO  60          2HD       PRO  60 -19.080  -6.956  -2.243
  360   2HD   PRO  60          1HD       PRO  60 -19.026  -7.983  -3.690
  361    H    THR  61           H        THR  61 -15.779  -5.944  -1.542
  362    HA   THR  61           HA       THR  61 -17.070  -4.556   0.567
  363    HB   THR  61           HB       THR  61 -14.263  -5.648   0.485
  364    HG1  THR  61           HG1      THR  61 -15.547  -7.555   1.502
  365   1HG2  THR  61          1HG2      THR  61 -14.569  -4.360   2.403
  366   2HG2  THR  61          2HG2      THR  61 -14.740  -6.041   2.952
  367   3HG2  THR  61          3HG2      THR  61 -16.156  -5.003   2.719
  368    H    ASP  62           H        ASP  62 -17.155  -2.495  -0.076
  369    HA   ASP  62           HA       ASP  62 -14.742  -0.947  -0.690
  370   1HB   ASP  62          2HB       ASP  62 -16.554  -0.663  -2.268
  371   2HB   ASP  62          1HB       ASP  62 -17.679  -0.310  -0.985
  372    H    ARG  63           H        ARG  63 -17.564  -0.669   1.383
  373    HA   ARG  63           HA       ARG  63 -16.168   1.337   2.994
  374   1HB   ARG  63          2HB       ARG  63 -19.132   0.682   2.977
  375   2HB   ARG  63          1HB       ARG  63 -18.350   1.948   3.911
  376   1HG   ARG  63          2HG       ARG  63 -17.768   3.127   1.961
  377   2HG   ARG  63          1HG       ARG  63 -18.275   1.798   0.922
  378   1HD   ARG  63          2HD       ARG  63 -20.560   2.050   1.794
  379   2HD   ARG  63          1HD       ARG  63 -20.027   3.472   2.698
  380    HE   ARG  63           HE       ARG  63 -19.271   3.860   0.069
  381   1HH1  ARG  63          1HH1      ARG  63 -22.334   3.590   1.819
  382   2HH1  ARG  63          2HH1      ARG  63 -23.223   4.578   0.759
  383   1HH2  ARG  63          1HH2      ARG  63 -20.453   5.235  -1.369
  384   2HH2  ARG  63          2HH2      ARG  63 -22.112   5.582  -1.117
  385    HA   PRO  64           HA       PRO  64 -17.410  -1.585   6.484
  386   1HB   PRO  64          2HB       PRO  64 -18.657  -3.966   6.022
  387   2HB   PRO  64          1HB       PRO  64 -19.503  -2.436   6.268
  388   1HG   PRO  64          2HG       PRO  64 -19.060  -3.931   3.725
  389   2HG   PRO  64          1HG       PRO  64 -20.362  -2.810   4.161
  390   1HD   PRO  64          2HD       PRO  64 -18.065  -2.358   2.586
  391   2HD   PRO  64          1HD       PRO  64 -19.265  -1.172   3.134
  392    H    ILE  65           H        ILE  65 -15.303  -2.042   6.893
  393    HA   ILE  65           HA       ILE  65 -14.272  -4.595   5.971
  394    HB   ILE  65           HB       ILE  65 -11.964  -3.464   6.027
  395   1HG1  ILE  65          2HG1      ILE  65 -13.738  -1.063   5.634
  396   2HG1  ILE  65          1HG1      ILE  65 -12.566  -1.331   6.923
  397   1HG2  ILE  65          1HG2      ILE  65 -12.865  -4.431   4.008
  398   2HG2  ILE  65          2HG2      ILE  65 -12.069  -2.915   3.633
  399   3HG2  ILE  65          3HG2      ILE  65 -13.821  -2.980   3.714
  400   1HD1  ILE  65          1HD1      ILE  65 -10.768  -1.212   5.372
  401   2HD1  ILE  65          2HD1      ILE  65 -11.761   0.262   5.204
  402   3HD1  ILE  65          3HD1      ILE  65 -11.880  -1.065   4.027
  403    H    ALA  66           H        ALA  66 -12.718  -5.584   7.292
  404    HA   ALA  66           HA       ALA  66 -13.322  -5.733   9.964
  405   1HB   ALA  66          1HB       ALA  66 -10.708  -6.454   8.664
  406   2HB   ALA  66          2HB       ALA  66 -12.160  -7.456   8.664
  407   3HB   ALA  66          3HB       ALA  66 -11.326  -7.108  10.183
  408    HA   PRO  67           HA       PRO  67 -11.197  -2.199  11.691
  409   1HB   PRO  67          2HB       PRO  67 -11.848  -2.549  14.253
  410   2HB   PRO  67          1HB       PRO  67 -13.095  -2.164  13.053
  411   1HG   PRO  67          2HG       PRO  67 -12.328  -4.841  14.164
  412   2HG   PRO  67          1HG       PRO  67 -13.960  -4.158  13.992
  413   1HD   PRO  67          2HD       PRO  67 -12.858  -5.909  12.222
  414   2HD   PRO  67          1HD       PRO  67 -14.031  -4.665  11.735
  415    H    ARG  68           H        ARG  68  -9.104  -2.700  11.290
  416    HA   ARG  68           HA       ARG  68  -6.906  -3.155  11.676
  417   1HB   ARG  68          2HB       ARG  68  -7.265  -1.523  13.485
  418   2HB   ARG  68          1HB       ARG  68  -7.685  -2.822  14.591
  419   1HG   ARG  68          2HG       ARG  68  -5.448  -3.707  14.459
  420   2HG   ARG  68          1HG       ARG  68  -5.016  -2.478  13.263
  421   1HD   ARG  68          2HD       ARG  68  -4.205  -1.821  15.444
  422   2HD   ARG  68          1HD       ARG  68  -5.503  -0.747  14.925
  423    HE   ARG  68           HE       ARG  68  -6.560  -2.825  16.473
  424   1HH1  ARG  68          1HH1      ARG  68  -4.586   0.090  16.745
  425   2HH1  ARG  68          2HH1      ARG  68  -4.959   0.385  18.371
  426   1HH2  ARG  68          1HH2      ARG  68  -7.072  -2.445  18.743
  427   2HH2  ARG  68          2HH2      ARG  68  -6.387  -1.099  19.537
  428    H    ASP  69           H        ASP  69  -6.840  -5.192  10.827
  429    HA   ASP  69           HA       ASP  69  -7.109  -7.487  12.597
  430   1HB   ASP  69          2HB       ASP  69  -7.134  -8.738  10.490
  431   2HB   ASP  69          1HB       ASP  69  -8.318  -7.437  10.455
  432    H    GLU  70           H        GLU  70  -4.903  -5.884  10.386
  433    HA   GLU  70           HA       GLU  70  -2.653  -5.625  10.290
  434   1HB   GLU  70          2HB       GLU  70  -2.404  -7.378  12.746
  435   2HB   GLU  70          1HB       GLU  70  -1.157  -6.342  12.076
  436   1HG   GLU  70          2HG       GLU  70  -3.725  -5.461  13.373
  437   2HG   GLU  70          1HG       GLU  70  -2.097  -5.299  14.026
  438    H    THR  71           H        THR  71  -0.541  -7.026  10.105
  439    HA   THR  71           HA       THR  71  -1.370  -9.308   8.475
  440    HB   THR  71           HB       THR  71   0.996  -9.150   7.429
  441    HG1  THR  71           HG1      THR  71   0.722  -6.662   8.669
  442   1HG2  THR  71          1HG2      THR  71  -1.119  -7.041   6.949
  443   2HG2  THR  71          2HG2      THR  71  -0.878  -8.563   6.048
  444   3HG2  THR  71          3HG2      THR  71   0.295  -7.257   5.948
  445    H    PHE  72           H        PHE  72   1.954  -8.913   9.731
  446    HA   PHE  72           HA       PHE  72   1.659 -10.850  11.746
  447   1HB   PHE  72          2HB       PHE  72   1.301 -12.345   9.772
  448   2HB   PHE  72          1HB       PHE  72   2.889 -11.949   9.187
  449    HD1  PHE  72           HD1      PHE  72   4.412 -13.642   9.463
  450    HD2  PHE  72           HD2      PHE  72   1.430 -13.095  12.443
  451    HE1  PHE  72           HE1      PHE  72   5.368 -15.504  10.757
  452    HE2  PHE  72           HE2      PHE  72   2.374 -14.965  13.739
  453    HZ   PHE  72           HZ       PHE  72   4.225 -16.274  12.816
  454    H    GLU  73           H        GLU  73   4.560 -10.942   9.628
  455    HA   GLU  73           HA       GLU  73   6.144  -9.995  11.894
  456   1HB   GLU  73          2HB       GLU  73   6.977 -11.080   9.192
  457   2HB   GLU  73          1HB       GLU  73   8.090 -10.639  10.470
  458   1HG   GLU  73          2HG       GLU  73   5.987 -12.790  10.695
  459   2HG   GLU  73          1HG       GLU  73   7.656 -13.106  10.227
  460    H    TYR  74           H        TYR  74   5.009  -8.902   8.874
  461    HA   TYR  74           HA       TYR  74   5.062  -6.913   7.711
  462   1HB   TYR  74          2HB       TYR  74   6.736  -5.722   9.974
  463   2HB   TYR  74          1HB       TYR  74   5.815  -4.866   8.719
  464    HD1  TYR  74           HD1      TYR  74   3.259  -5.762   8.710
  465    HD2  TYR  74           HD2      TYR  74   5.789  -5.588  12.083
  466    HE1  TYR  74           HE1      TYR  74   1.273  -5.679  10.185
  467    HE2  TYR  74           HE2      TYR  74   3.792  -5.511  13.571
  468    HH   TYR  74           HH       TYR  74   1.364  -4.848  13.401
  469    H    ILE  75           H        ILE  75   6.969  -5.169   6.774
  470    HA   ILE  75           HA       ILE  75   9.358  -6.775   6.501
  471    HB   ILE  75           HB       ILE  75   9.429  -6.199   4.045
  472   1HG1  ILE  75          2HG1      ILE  75   6.486  -5.667   4.479
  473   2HG1  ILE  75          1HG1      ILE  75   7.687  -4.464   4.011
  474   1HG2  ILE  75          1HG2      ILE  75   7.318  -8.121   4.979
  475   2HG2  ILE  75          2HG2      ILE  75   9.028  -8.443   4.757
  476   3HG2  ILE  75          3HG2      ILE  75   8.004  -8.096   3.351
  477   1HD1  ILE  75          1HD1      ILE  75   6.793  -6.839   2.391
  478   2HD1  ILE  75          2HD1      ILE  75   8.036  -5.688   1.921
  479   3HD1  ILE  75          3HD1      ILE  75   6.365  -5.150   2.102
  480    H    ILE  76           H        ILE  76  11.198  -5.703   6.297
  481    HA   ILE  76           HA       ILE  76  11.040  -2.790   6.416
  482    HB   ILE  76           HB       ILE  76  12.997  -4.624   7.851
  483   1HG1  ILE  76          2HG1      ILE  76  10.810  -4.611   8.931
  484   2HG1  ILE  76          1HG1      ILE  76  11.980  -3.790   9.945
  485   1HG2  ILE  76          1HG2      ILE  76  13.869  -2.581   8.916
  486   2HG2  ILE  76          2HG2      ILE  76  12.833  -1.617   7.852
  487   3HG2  ILE  76          3HG2      ILE  76  14.132  -2.612   7.171
  488   1HD1  ILE  76          1HD1      ILE  76   9.881  -2.478   8.208
  489   2HD1  ILE  76          2HD1      ILE  76  11.064  -1.619   9.208
  490   3HD1  ILE  76          3HD1      ILE  76   9.846  -2.632   9.964
  491    H    PHE  77           H        PHE  77  12.243  -1.753   4.951
  492    HA   PHE  77           HA       PHE  77  13.912  -3.383   3.211
  493   1HB   PHE  77          2HB       PHE  77  12.556  -0.727   2.779
  494   2HB   PHE  77          1HB       PHE  77  13.773  -1.370   1.678
  495    HD1  PHE  77           HD1      PHE  77  13.078  -2.600  -0.114
  496    HD2  PHE  77           HD2      PHE  77  10.597  -2.426   3.331
  497    HE1  PHE  77           HE1      PHE  77  11.370  -3.910  -1.283
  498    HE2  PHE  77           HE2      PHE  77   8.887  -3.758   2.142
  499    HZ   PHE  77           HZ       PHE  77   9.275  -4.489  -0.162
  500    H    ARG  78           H        ARG  78  15.983  -3.025   2.884
  501    HA   ARG  78           HA       ARG  78  17.534  -1.708   4.841
  502   1HB   ARG  78          2HB       ARG  78  18.302  -2.686   2.118
  503   2HB   ARG  78          1HB       ARG  78  19.452  -2.185   3.349
  504   1HG   ARG  78          2HG       ARG  78  17.581  -4.551   3.460
  505   2HG   ARG  78          1HG       ARG  78  19.311  -4.589   3.179
  506   1HD   ARG  78          2HD       ARG  78  19.635  -3.546   5.440
  507   2HD   ARG  78          1HD       ARG  78  17.883  -3.724   5.658
  508    HE   ARG  78           HE       ARG  78  19.086  -6.166   4.923
  509   1HH1  ARG  78          1HH1      ARG  78  18.664  -4.045   7.752
  510   2HH1  ARG  78          2HH1      ARG  78  18.909  -5.270   8.866
  511   1HH2  ARG  78          1HH2      ARG  78  19.371  -7.900   6.535
  512   2HH2  ARG  78          2HH2      ARG  78  19.259  -7.485   8.181
  513    H    GLY  79           H        GLY  79  15.975  -0.429   2.081
  514   1HA   GLY  79          2HA       GLY  79  15.876   1.811   1.438
  515   2HA   GLY  79          1HA       GLY  79  17.170   2.159   2.576
  516    H    SER  80           H        SER  80  19.224   1.063   1.909
  517    HA   SER  80           HA       SER  80  20.109   2.103  -0.577
  518   1HB   SER  80          2HB       SER  80  22.180   0.730  -0.095
  519   2HB   SER  80          1HB       SER  80  21.666   1.809   1.196
  520    HG   SER  80           HG       SER  80  21.177  -1.031   1.113
  521    H    ASP  81           H        ASP  81  18.714  -0.885   0.262
  522    HA   ASP  81           HA       ASP  81  19.530  -2.252  -2.190
  523   1HB   ASP  81          2HB       ASP  81  18.145  -3.223   0.282
  524   2HB   ASP  81          1HB       ASP  81  18.519  -4.253  -1.084
  525    H    ILE  82           H        ILE  82  17.269  -0.115  -1.969
  526    HA   ILE  82           HA       ILE  82  15.049  -1.777  -2.813
  527    HB   ILE  82           HB       ILE  82  13.757   0.305  -3.160
  528   1HG1  ILE  82          2HG1      ILE  82  16.201   1.759  -2.096
  529   2HG1  ILE  82          1HG1      ILE  82  15.653   1.799  -3.765
  530   1HG2  ILE  82          1HG2      ILE  82  13.629  -0.759  -0.987
  531   2HG2  ILE  82          2HG2      ILE  82  13.566   0.982  -0.816
  532   3HG2  ILE  82          3HG2      ILE  82  15.056   0.123  -0.425
  533   1HD1  ILE  82          1HD1      ILE  82  14.980   3.820  -2.538
  534   2HD1  ILE  82          2HD1      ILE  82  14.111   2.811  -1.382
  535   3HD1  ILE  82          3HD1      ILE  82  13.589   2.884  -3.062
  536    H    LYS  83           H        LYS  83  14.233  -1.936  -4.858
  537    HA   LYS  83           HA       LYS  83  16.036  -1.147  -6.972
  538   1HB   LYS  83          2HB       LYS  83  13.564  -2.873  -6.935
  539   2HB   LYS  83          1HB       LYS  83  14.403  -2.466  -8.423
  540   1HG   LYS  83          2HG       LYS  83  15.668  -3.887  -6.107
  541   2HG   LYS  83          1HG       LYS  83  14.977  -4.710  -7.514
  542   1HD   LYS  83          2HD       LYS  83  16.530  -3.432  -8.953
  543   2HD   LYS  83          1HD       LYS  83  17.279  -2.738  -7.519
  544   1HE   LYS  83          2HE       LYS  83  17.999  -4.923  -6.786
  545   2HE   LYS  83          1HE       LYS  83  17.167  -5.692  -8.143
  546   1HZ   LYS  83          1HZ       LYS  83  18.692  -4.445  -9.631
  547   2HZ   LYS  83          2HZ       LYS  83  19.495  -5.515  -8.653
  548   3HZ   LYS  83          3HZ       LYS  83  19.545  -3.884  -8.301
  549    H    ASP  84           H        ASP  84  12.525  -0.856  -6.382
  550    HA   ASP  84           HA       ASP  84  12.585   1.784  -7.629
  551   1HB   ASP  84          2HB       ASP  84  12.170   0.253  -9.513
  552   2HB   ASP  84          1HB       ASP  84  10.772  -0.415  -8.666
  553    H    LEU  85           H        LEU  85  10.737   3.052  -7.203
  554    HA   LEU  85           HA       LEU  85   8.940   2.016  -5.157
  555   1HB   LEU  85          2HB       LEU  85  10.645   3.287  -3.968
  556   2HB   LEU  85          1HB       LEU  85  10.438   4.644  -5.054
  557    HG   LEU  85           HG       LEU  85   8.142   4.971  -4.186
  558   1HD1  LEU  85          1HD1      LEU  85   7.640   2.703  -3.496
  559   2HD1  LEU  85          2HD1      LEU  85   7.431   3.841  -2.142
  560   3HD1  LEU  85          3HD1      LEU  85   8.845   2.817  -2.208
  561   1HD2  LEU  85          1HD2      LEU  85  10.002   6.231  -3.225
  562   2HD2  LEU  85          2HD2      LEU  85  10.284   4.944  -2.058
  563   3HD2  LEU  85          3HD2      LEU  85   8.778   5.863  -2.017
  564    H    THR  86           H        THR  86   7.165   1.929  -6.342
  565    HA   THR  86           HA       THR  86   6.478   4.162  -8.042
  566    HB   THR  86           HB       THR  86   5.197   1.447  -7.714
  567    HG1  THR  86           HG1      THR  86   7.501   1.895  -8.943
  568   1HG2  THR  86          1HG2      THR  86   4.011   1.987  -9.817
  569   2HG2  THR  86          2HG2      THR  86   4.701   3.612  -9.787
  570   3HG2  THR  86          3HG2      THR  86   3.598   3.097  -8.517
  571    H    VAL  87           H        VAL  87   5.143   5.677  -7.257
  572    HA   VAL  87           HA       VAL  87   3.578   5.149  -4.845
  573    HB   VAL  87           HB       VAL  87   5.130   7.074  -4.800
  574   1HG1  VAL  87          1HG1      VAL  87   4.738   9.072  -6.137
  575   2HG1  VAL  87          2HG1      VAL  87   3.469   8.227  -7.027
  576   3HG1  VAL  87          3HG1      VAL  87   5.142   7.675  -7.130
  577   1HG2  VAL  87          1HG2      VAL  87   3.521   8.819  -4.052
  578   2HG2  VAL  87          2HG2      VAL  87   3.201   7.233  -3.382
  579   3HG2  VAL  87          3HG2      VAL  87   2.215   7.831  -4.724
  580    H    CYS  88           H        CYS  88   1.288   5.619  -4.704
  581    HA   CYS  88           HA       CYS  88   0.030   5.473  -7.325
  582   1HB   CYS  88          2HB       CYS  88  -1.110   4.890  -4.607
  583   2HB   CYS  88          1HB       CYS  88  -1.930   4.599  -6.153
  584    HG   CYS  88           HG       CYS  88   0.298   2.832  -4.503
  585    H    GLU  89           H        GLU  89   0.169   7.547  -4.476
  586    HA   GLU  89           HA       GLU  89  -1.274   9.613  -5.881
  587   1HB   GLU  89          2HB       GLU  89  -2.865  10.019  -4.032
  588   2HB   GLU  89          1HB       GLU  89  -3.101   8.447  -4.775
  589   1HG   GLU  89          2HG       GLU  89  -1.995   7.369  -2.909
  590   2HG   GLU  89          1HG       GLU  89  -1.684   8.946  -2.167
  591    HA   PRO  90           HA       PRO  90   1.681  11.946  -3.509
  592   1HB   PRO  90          2HB       PRO  90   0.297  14.414  -3.517
  593   2HB   PRO  90          1HB       PRO  90   1.468  13.840  -4.693
  594   1HG   PRO  90          2HG       PRO  90  -1.262  14.248  -5.168
  595   2HG   PRO  90          1HG       PRO  90  -0.151  13.372  -6.228
  596   1HD   PRO  90          2HD       PRO  90  -2.122  12.356  -4.263
  597   2HD   PRO  90          1HD       PRO  90  -1.565  11.626  -5.788
  598    HA   PRO  91           HA       PRO  91   0.045  11.489   0.702
  599   1HB   PRO  91          2HB       PRO  91   2.825  12.347   1.294
  600   2HB   PRO  91          1HB       PRO  91   1.916  10.949   1.895
  601   1HG   PRO  91          2HG       PRO  91   3.852  10.697   0.079
  602   2HG   PRO  91          1HG       PRO  91   2.430   9.657   0.037
  603   1HD   PRO  91          2HD       PRO  91   3.140  11.964  -1.710
  604   2HD   PRO  91          1HD       PRO  91   2.205  10.482  -2.061
  605    H    LYS  92           H        LYS  92   2.227  14.130  -0.289
  606    HA   LYS  92           HA       LYS  92   2.349  16.361   0.212
  607   1HB   LYS  92          2HB       LYS  92   0.123  16.485  -0.739
  608   2HB   LYS  92          1HB       LYS  92  -0.586  15.957   0.785
  609   1HG   LYS  92          2HG       LYS  92   0.439  18.072   1.791
  610   2HG   LYS  92          1HG       LYS  92   0.681  18.599   0.129
  611   1HD   LYS  92          2HD       LYS  92  -1.408  19.457   1.102
  612   2HD   LYS  92          1HD       LYS  92  -1.699  18.427  -0.301
  613   1HE   LYS  92          2HE       LYS  92  -3.212  18.034   1.661
  614   2HE   LYS  92          1HE       LYS  92  -2.412  16.586   1.080
  615   1HZ   LYS  92          1HZ       LYS  92  -1.581  18.188   3.485
  616   2HZ   LYS  92          2HZ       LYS  92  -0.820  16.785   2.944
  617   3HZ   LYS  92          3HZ       LYS  92  -2.384  16.715   3.492
  618    HA   PRO  93           HA       PRO  93   2.942  15.554   4.716
  619   1HB   PRO  93          2HB       PRO  93   5.416  17.087   4.326
  620   2HB   PRO  93          1HB       PRO  93   5.207  15.443   4.915
  621   1HG   PRO  93          2HG       PRO  93   6.281  15.999   2.486
  622   2HG   PRO  93          1HG       PRO  93   5.364  14.523   2.820
  623   1HD   PRO  93          2HD       PRO  93   4.488  17.009   1.399
  624   2HD   PRO  93          1HD       PRO  93   4.106  15.312   1.060
  625    H    ILE  94           H        ILE  94   3.596  18.526   2.913
  626    HA   ILE  94           HA       ILE  94   2.159  20.024   4.913
  627    HB   ILE  94           HB       ILE  94   3.888  21.902   4.782
  628   1HG1  ILE  94          2HG1      ILE  94   6.312  21.106   4.418
  629   2HG1  ILE  94          1HG1      ILE  94   5.650  19.666   3.709
  630   1HG2  ILE  94          1HG2      ILE  94   5.317  20.974   6.564
  631   2HG2  ILE  94          2HG2      ILE  94   4.651  19.379   6.224
  632   3HG2  ILE  94          3HG2      ILE  94   3.600  20.674   6.799
  633   1HD1  ILE  94          1HD1      ILE  94   4.614  21.008   1.931
  634   2HD1  ILE  94          2HD1      ILE  94   6.365  21.203   1.992
  635   3HD1  ILE  94          3HD1      ILE  94   5.308  22.470   2.644
  636    H    MET  95           H        MET  95   1.983  22.412   4.057
  637    HA   MET  95           HA       MET  95   1.234  22.200   1.245
  638   1HB   MET  95          2HB       MET  95   0.115  24.023   3.401
  639   2HB   MET  95          1HB       MET  95  -0.226  24.226   1.698
  640   1HG   MET  95          2HG       MET  95  -2.090  23.152   2.792
  641   2HG   MET  95          1HG       MET  95  -1.321  22.050   1.656
  642   1HE   MET  95          1HE       MET  95  -3.464  21.409   4.029
  643   2HE   MET  95          2HE       MET  95  -2.823  19.875   4.615
  644   3HE   MET  95          3HE       MET  95  -2.886  20.202   2.879
  Start of MODEL    4
    1    HA   PRO  16           HA       PRO  16  -9.682  -0.125   3.799
    2   1HB   PRO  16          2HB       PRO  16  -8.899  -1.224   6.487
    3   2HB   PRO  16          1HB       PRO  16 -10.452  -0.585   5.913
    4   1HG   PRO  16          2HG       PRO  16 -10.112  -3.189   6.104
    5   2HG   PRO  16          1HG       PRO  16 -10.937  -2.511   4.693
    6   1HD   PRO  16          2HD       PRO  16  -8.143  -3.532   4.927
    7   2HD   PRO  16          1HD       PRO  16  -9.291  -3.704   3.587
    8    H    TYR  17           H        TYR  17  -8.869   1.799   3.815
    9    HA   TYR  17           HA       TYR  17  -6.382   2.728   3.915
   10   1HB   TYR  17          2HB       TYR  17  -7.273   4.944   4.457
   11   2HB   TYR  17          1HB       TYR  17  -8.274   4.101   3.271
   12    HD1  TYR  17           HD1      TYR  17  -8.146   5.561   6.607
   13    HD2  TYR  17           HD2      TYR  17 -10.495   3.241   3.924
   14    HE1  TYR  17           HE1      TYR  17 -10.149   5.982   7.983
   15    HE2  TYR  17           HE2      TYR  17 -12.496   3.659   5.298
   16    HH   TYR  17           HH       TYR  17 -13.038   4.260   7.613
   17    H    ILE  18           H        ILE  18  -4.964   3.566   5.264
   18    HA   ILE  18           HA       ILE  18  -5.162   4.196   7.971
   19    HB   ILE  18           HB       ILE  18  -5.399   1.755   8.338
   20   1HG1  ILE  18          2HG1      ILE  18  -2.719   2.811   9.228
   21   2HG1  ILE  18          1HG1      ILE  18  -4.249   3.214   9.993
   22   1HG2  ILE  18          1HG2      ILE  18  -3.419   0.273   7.879
   23   2HG2  ILE  18          2HG2      ILE  18  -2.721   1.661   6.990
   24   3HG2  ILE  18          3HG2      ILE  18  -4.205   0.902   6.415
   25   1HD1  ILE  18          1HD1      ILE  18  -3.011   0.492   9.804
   26   2HD1  ILE  18          2HD1      ILE  18  -4.586   0.895  10.509
   27   3HD1  ILE  18          3HD1      ILE  18  -3.089   1.530  11.248
   28    H    GLY  19           H        GLY  19  -3.222   3.014   5.359
   29   1HA   GLY  19          2HA       GLY  19  -1.335   5.136   5.916
   30   2HA   GLY  19          1HA       GLY  19  -0.709   3.527   5.603
   31    H    SER  20           H        SER  20   0.313   4.998   3.819
   32    HA   SER  20           HA       SER  20  -1.471   5.440   1.581
   33   1HB   SER  20          2HB       SER  20   1.512   5.942   1.880
   34   2HB   SER  20          1HB       SER  20   0.532   6.403   0.500
   35    HG   SER  20           HG       SER  20   0.029   8.100   1.503
   36    H    LYS  21           H        LYS  21  -1.424   4.197  -0.350
   37    HA   LYS  21           HA       LYS  21  -0.021   1.704  -0.008
   38   1HB   LYS  21          2HB       LYS  21  -2.237   2.425  -1.925
   39   2HB   LYS  21          1HB       LYS  21  -1.241   1.015  -2.211
   40   1HG   LYS  21          2HG       LYS  21  -3.014   0.050  -1.096
   41   2HG   LYS  21          1HG       LYS  21  -1.941   0.364   0.233
   42   1HD   LYS  21          2HD       LYS  21  -4.145   0.970   0.927
   43   2HD   LYS  21          1HD       LYS  21  -3.243   2.458   0.718
   44   1HE   LYS  21          2HE       LYS  21  -4.340   2.918  -1.365
   45   2HE   LYS  21          1HE       LYS  21  -5.027   1.296  -1.412
   46   1HZ   LYS  21          1HZ       LYS  21  -6.622   3.036  -0.726
   47   2HZ   LYS  21          2HZ       LYS  21  -5.794   3.262   0.730
   48   3HZ   LYS  21          3HZ       LYS  21  -6.473   1.789   0.325
   49    H    ILE  22           H        ILE  22   2.005   1.581  -0.592
   50    HA   ILE  22           HA       ILE  22   2.782   2.819  -3.096
   51    HB   ILE  22           HB       ILE  22   4.188   2.612  -0.495
   52   1HG1  ILE  22          2HG1      ILE  22   5.230   4.753  -1.258
   53   2HG1  ILE  22          1HG1      ILE  22   4.240   4.653  -2.672
   54   1HG2  ILE  22          1HG2      ILE  22   5.646   1.288  -1.740
   55   2HG2  ILE  22          2HG2      ILE  22   6.419   2.869  -1.437
   56   3HG2  ILE  22          3HG2      ILE  22   5.738   2.494  -3.033
   57   1HD1  ILE  22          1HD1      ILE  22   2.209   4.728  -1.372
   58   2HD1  ILE  22          2HD1      ILE  22   3.218   6.141  -0.991
   59   3HD1  ILE  22          3HD1      ILE  22   3.130   4.789   0.131
   60    H    SER  23           H        SER  23   4.075   1.738  -4.415
   61    HA   SER  23           HA       SER  23   4.049  -1.195  -4.131
   62   1HB   SER  23          2HB       SER  23   2.808   0.047  -6.032
   63   2HB   SER  23          1HB       SER  23   4.409   0.401  -6.670
   64    HG   SER  23           HG       SER  23   3.017  -1.933  -6.446
   65    H    LEU  24           H        LEU  24   6.083  -1.898  -3.462
   66    HA   LEU  24           HA       LEU  24   8.400  -0.334  -4.350
   67   1HB   LEU  24          2HB       LEU  24   7.943  -0.004  -1.985
   68   2HB   LEU  24          1HB       LEU  24   7.878  -1.724  -1.709
   69    HG   LEU  24           HG       LEU  24  10.247  -1.920  -2.216
   70   1HD1  LEU  24          1HD1      LEU  24  10.496  -0.119  -3.730
   71   2HD1  LEU  24          2HD1      LEU  24  11.608   0.100  -2.381
   72   3HD1  LEU  24          3HD1      LEU  24  10.140   1.081  -2.484
   73   1HD2  LEU  24          1HD2      LEU  24  11.053  -0.783  -0.202
   74   2HD2  LEU  24          2HD2      LEU  24   9.544  -1.637   0.065
   75   3HD2  LEU  24          3HD2      LEU  24   9.540   0.121  -0.110
   76    H    ILE  25           H        ILE  25   9.922  -1.558  -5.411
   77    HA   ILE  25           HA       ILE  25   9.694  -4.498  -5.211
   78    HB   ILE  25           HB       ILE  25  11.085  -2.906  -7.379
   79   1HG1  ILE  25          2HG1      ILE  25   8.495  -4.511  -7.461
   80   2HG1  ILE  25          1HG1      ILE  25   8.624  -2.764  -7.554
   81   1HG2  ILE  25          1HG2      ILE  25  11.374  -5.117  -8.501
   82   2HG2  ILE  25          2HG2      ILE  25  10.695  -5.890  -7.056
   83   3HG2  ILE  25          3HG2      ILE  25  12.217  -5.015  -6.947
   84   1HD1  ILE  25          1HD1      ILE  25   9.801  -2.957  -9.690
   85   2HD1  ILE  25          2HD1      ILE  25   8.228  -3.751  -9.743
   86   3HD1  ILE  25          3HD1      ILE  25   9.708  -4.707  -9.586
   87    H    SER  26           H        SER  26  11.037  -5.412  -4.005
   88    HA   SER  26           HA       SER  26  13.407  -4.162  -3.011
   89   1HB   SER  26          2HB       SER  26  13.674  -6.300  -1.794
   90   2HB   SER  26          1HB       SER  26  12.080  -5.579  -1.561
   91    HG   SER  26           HG       SER  26  11.222  -7.262  -2.429
   92    H    LYS  27           H        LYS  27  15.485  -5.208  -3.132
   93    HA   LYS  27           HA       LYS  27  16.461  -5.558  -5.613
   94   1HB   LYS  27          2HB       LYS  27  18.529  -6.595  -4.419
   95   2HB   LYS  27          1HB       LYS  27  18.065  -4.936  -4.091
   96   1HG   LYS  27          2HG       LYS  27  18.670  -6.058  -2.032
   97   2HG   LYS  27          1HG       LYS  27  16.982  -5.619  -2.013
   98   1HD   LYS  27          2HD       LYS  27  16.417  -7.934  -2.654
   99   2HD   LYS  27          1HD       LYS  27  18.137  -8.363  -2.505
  100   1HE   LYS  27          2HE       LYS  27  16.280  -7.372  -0.319
  101   2HE   LYS  27          1HE       LYS  27  17.039  -8.961  -0.425
  102   1HZ   LYS  27          1HZ       LYS  27  19.233  -7.727  -0.216
  103   2HZ   LYS  27          2HZ       LYS  27  18.256  -7.756   1.125
  104   3HZ   LYS  27          3HZ       LYS  27  18.300  -6.351   0.188
  105    H    ALA  28           H        ALA  28  14.689  -7.931  -4.067
  106    HA   ALA  28           HA       ALA  28  16.031 -10.211  -5.301
  107   1HB   ALA  28          1HB       ALA  28  15.182 -10.480  -3.019
  108   2HB   ALA  28          2HB       ALA  28  14.293 -11.531  -4.131
  109   3HB   ALA  28          3HB       ALA  28  13.569 -10.029  -3.566
  110    H    GLU  29           H        GLU  29  14.458  -7.886  -6.563
  111    HA   GLU  29           HA       GLU  29  13.199  -7.413  -8.297
  112   1HB   GLU  29          2HB       GLU  29  13.442 -10.362  -8.951
  113   2HB   GLU  29          1HB       GLU  29  12.763  -9.173 -10.054
  114   1HG   GLU  29          2HG       GLU  29  15.009  -8.015 -10.031
  115   2HG   GLU  29          1HG       GLU  29  15.615  -9.349  -9.065
  116    H    ILE  30           H        ILE  30  12.017  -8.096  -5.812
  117    HA   ILE  30           HA       ILE  30   9.467  -9.327  -6.634
  118    HB   ILE  30           HB       ILE  30  10.580  -9.164  -3.823
  119   1HG1  ILE  30          2HG1      ILE  30  10.278 -11.550  -5.679
  120   2HG1  ILE  30          1HG1      ILE  30  11.794 -10.780  -5.231
  121   1HG2  ILE  30          1HG2      ILE  30   8.119 -10.528  -4.896
  122   2HG2  ILE  30          2HG2      ILE  30   8.154  -9.054  -3.920
  123   3HG2  ILE  30          3HG2      ILE  30   8.684 -10.598  -3.215
  124   1HD1  ILE  30          1HD1      ILE  30  11.453 -12.842  -3.969
  125   2HD1  ILE  30          2HD1      ILE  30   9.937 -12.224  -3.333
  126   3HD1  ILE  30          3HD1      ILE  30  11.469 -11.441  -2.915
  127    H    ARG  31           H        ARG  31   7.685  -8.173  -6.587
  128    HA   ARG  31           HA       ARG  31   7.780  -5.448  -5.592
  129   1HB   ARG  31          2HB       ARG  31   5.518  -5.213  -6.665
  130   2HB   ARG  31          1HB       ARG  31   6.794  -5.664  -7.776
  131   1HG   ARG  31          2HG       ARG  31   6.005  -7.953  -7.815
  132   2HG   ARG  31          1HG       ARG  31   4.782  -7.594  -6.603
  133   1HD   ARG  31          2HD       ARG  31   4.940  -6.264  -9.325
  134   2HD   ARG  31          1HD       ARG  31   3.905  -7.630  -8.926
  135    HE   ARG  31           HE       ARG  31   2.664  -6.222  -7.421
  136   1HH1  ARG  31          1HH1      ARG  31   4.926  -4.360  -9.465
  137   2HH1  ARG  31          2HH1      ARG  31   4.062  -2.901  -9.241
  138   1HH2  ARG  31          1HH2      ARG  31   1.505  -4.272  -7.238
  139   2HH2  ARG  31          2HH2      ARG  31   2.023  -2.847  -7.894
  140    H    TYR  32           H        TYR  32   7.230  -4.935  -3.639
  141    HA   TYR  32           HA       TYR  32   5.093  -6.418  -2.276
  142   1HB   TYR  32          2HB       TYR  32   7.406  -4.833  -1.164
  143   2HB   TYR  32          1HB       TYR  32   6.067  -5.372  -0.188
  144    HD1  TYR  32           HD1      TYR  32   9.087  -6.390  -1.919
  145    HD2  TYR  32           HD2      TYR  32   5.769  -7.794   0.330
  146    HE1  TYR  32           HE1      TYR  32  10.237  -8.523  -1.583
  147    HE2  TYR  32           HE2      TYR  32   6.921  -9.948   0.673
  148    HH   TYR  32           HH       TYR  32  10.220 -10.383  -0.026
  149    H    GLU  33           H        GLU  33   3.299  -5.306  -1.904
  150    HA   GLU  33           HA       GLU  33   3.371  -2.398  -2.143
  151   1HB   GLU  33          2HB       GLU  33   2.847  -3.464  -4.297
  152   2HB   GLU  33          1HB       GLU  33   1.550  -4.355  -3.538
  153   1HG   GLU  33          2HG       GLU  33   0.346  -2.281  -3.179
  154   2HG   GLU  33          1HG       GLU  33   1.701  -1.377  -3.873
  155    H    GLY  34           H        GLY  34   2.120  -1.479  -0.615
  156   1HA   GLY  34          2HA       GLY  34  -0.095  -2.665   0.659
  157   2HA   GLY  34          1HA       GLY  34   1.357  -3.016   1.573
  158    H    ILE  35           H        ILE  35   0.422  -1.696   3.385
  159    HA   ILE  35           HA       ILE  35   0.328   1.019   2.603
  160    HB   ILE  35           HB       ILE  35  -0.625   1.481   4.855
  161   1HG1  ILE  35          2HG1      ILE  35  -0.101  -0.801   5.892
  162   2HG1  ILE  35          1HG1      ILE  35  -1.711  -0.181   6.173
  163   1HG2  ILE  35          1HG2      ILE  35  -2.922   0.930   4.149
  164   2HG2  ILE  35          2HG2      ILE  35  -2.248  -0.112   2.896
  165   3HG2  ILE  35          3HG2      ILE  35  -1.933   1.611   2.869
  166   1HD1  ILE  35          1HD1      ILE  35  -1.005  -2.342   4.145
  167   2HD1  ILE  35          2HD1      ILE  35  -2.593  -1.678   4.461
  168   3HD1  ILE  35          3HD1      ILE  35  -1.749  -2.547   5.726
  169    H    LEU  36           H        LEU  36   1.846   2.084   2.646
  170    HA   LEU  36           HA       LEU  36   4.247   1.785   4.158
  171   1HB   LEU  36          2HB       LEU  36   4.206   2.970   2.033
  172   2HB   LEU  36          1HB       LEU  36   3.113   4.163   2.696
  173    HG   LEU  36           HG       LEU  36   4.917   4.825   4.296
  174   1HD1  LEU  36          1HD1      LEU  36   7.213   4.215   3.791
  175   2HD1  LEU  36          2HD1      LEU  36   6.644   3.069   2.588
  176   3HD1  LEU  36          3HD1      LEU  36   6.259   2.828   4.293
  177   1HD2  LEU  36          1HD2      LEU  36   5.550   5.105   1.364
  178   2HD2  LEU  36          2HD2      LEU  36   6.158   6.127   2.668
  179   3HD2  LEU  36          3HD2      LEU  36   4.434   6.099   2.297
  180    H    TYR  37           H        TYR  37   4.798   2.550   6.113
  181    HA   TYR  37           HA       TYR  37   2.782   4.190   7.446
  182   1HB   TYR  37          2HB       TYR  37   3.025   1.908   8.354
  183   2HB   TYR  37          1HB       TYR  37   4.724   2.220   8.689
  184    HD1  TYR  37           HD1      TYR  37   1.279   3.394   9.465
  185    HD2  TYR  37           HD2      TYR  37   5.322   3.130  10.779
  186    HE1  TYR  37           HE1      TYR  37   0.600   4.251  11.666
  187    HE2  TYR  37           HE2      TYR  37   4.646   3.997  12.998
  188    HH   TYR  37           HH       TYR  37   2.822   5.373  13.893
  189    H    THR  38           H        THR  38   6.328   3.544   7.581
  190    HA   THR  38           HA       THR  38   6.743   6.424   7.796
  191    HB   THR  38           HB       THR  38   7.906   4.390   9.774
  192    HG1  THR  38           HG1      THR  38   6.648   6.165  11.113
  193   1HG2  THR  38          1HG2      THR  38   8.226   7.419   9.705
  194   2HG2  THR  38          2HG2      THR  38   9.493   6.255   9.344
  195   3HG2  THR  38          3HG2      THR  38   8.814   6.351  10.966
  196    H    ILE  39           H        ILE  39   9.044   7.004   7.341
  197    HA   ILE  39           HA       ILE  39  10.608   4.930   6.014
  198    HB   ILE  39           HB       ILE  39  10.230   7.812   5.059
  199   1HG1  ILE  39          2HG1      ILE  39   9.423   5.227   3.703
  200   2HG1  ILE  39          1HG1      ILE  39   8.303   6.335   4.492
  201   1HG2  ILE  39          1HG2      ILE  39  11.701   7.266   3.217
  202   2HG2  ILE  39          2HG2      ILE  39  11.880   5.620   3.788
  203   3HG2  ILE  39          3HG2      ILE  39  12.548   6.946   4.735
  204   1HD1  ILE  39          1HD1      ILE  39  10.002   6.924   2.066
  205   2HD1  ILE  39          2HD1      ILE  39   8.904   8.058   2.853
  206   3HD1  ILE  39          3HD1      ILE  39   8.258   6.616   2.079
  207    H    ASP  40           H        ASP  40  12.603   4.873   7.031
  208    HA   ASP  40           HA       ASP  40  13.235   7.062   8.823
  209   1HB   ASP  40          2HB       ASP  40  14.969   4.633   8.280
  210   2HB   ASP  40          1HB       ASP  40  15.078   5.729   9.639
  211    H    THR  41           H        THR  41  13.783   8.725   7.600
  212    HA   THR  41           HA       THR  41  14.915   8.636   5.098
  213    HB   THR  41           HB       THR  41  15.365  11.076   5.499
  214    HG1  THR  41           HG1      THR  41  14.893  11.904   7.480
  215   1HG2  THR  41          1HG2      THR  41  12.999  11.662   5.711
  216   2HG2  THR  41          2HG2      THR  41  12.647  10.048   6.312
  217   3HG2  THR  41          3HG2      THR  41  13.196  10.270   4.647
  218    H    GLU  42           H        GLU  42  16.408   8.568   8.185
  219    HA   GLU  42           HA       GLU  42  18.950   9.552   7.767
  220   1HB   GLU  42          2HB       GLU  42  18.008   8.858   9.954
  221   2HB   GLU  42          1HB       GLU  42  18.177   7.181   9.459
  222   1HG   GLU  42          2HG       GLU  42  20.589   7.427   9.410
  223   2HG   GLU  42          1HG       GLU  42  20.436   9.136   9.828
  224    H    ASN  43           H        ASN  43  17.892   6.162   7.273
  225    HA   ASN  43           HA       ASN  43  20.264   5.742   5.506
  226   1HB   ASN  43          2HB       ASN  43  18.705   3.688   7.115
  227   2HB   ASN  43          1HB       ASN  43  19.918   3.300   5.903
  228   1HD2  ASN  43          1HD2      ASN  43  21.214   2.239   7.410
  229   2HD2  ASN  43          2HD2      ASN  43  22.111   3.096   8.623
  230    H    SER  44           H        SER  44  17.258   6.591   5.337
  231    HA   SER  44           HA       SER  44  15.707   6.676   3.726
  232   1HB   SER  44          2HB       SER  44  17.813   5.310   2.029
  233   2HB   SER  44          1HB       SER  44  16.357   6.093   1.415
  234    HG   SER  44           HG       SER  44  17.950   7.623   3.098
  235    H    THR  45           H        THR  45  16.047   4.309   5.534
  236    HA   THR  45           HA       THR  45  15.257   2.024   4.077
  237    HB   THR  45           HB       THR  45  14.917   1.052   6.353
  238    HG1  THR  45           HG1      THR  45  14.595   2.706   7.831
  239   1HG2  THR  45          1HG2      THR  45  17.313   1.061   6.956
  240   2HG2  THR  45          2HG2      THR  45  17.568   2.388   5.816
  241   3HG2  THR  45          3HG2      THR  45  17.018   0.806   5.241
  242    H    VAL  46           H        VAL  46  13.253   0.956   4.259
  243    HA   VAL  46           HA       VAL  46  11.051   2.894   4.532
  244    HB   VAL  46           HB       VAL  46  11.173   0.423   2.776
  245   1HG1  VAL  46          1HG1      VAL  46   9.076   1.267   1.799
  246   2HG1  VAL  46          2HG1      VAL  46   9.083   2.597   2.954
  247   3HG1  VAL  46          3HG1      VAL  46   8.910   0.950   3.525
  248   1HG2  VAL  46          1HG2      VAL  46  12.663   2.192   1.977
  249   2HG2  VAL  46          2HG2      VAL  46  11.345   3.345   2.045
  250   3HG2  VAL  46          3HG2      VAL  46  11.274   2.014   0.901
  251    H    ALA  47           H        ALA  47   9.539   2.523   6.063
  252    HA   ALA  47           HA       ALA  47   9.524  -0.084   7.344
  253   1HB   ALA  47          1HB       ALA  47   8.469   1.096   9.250
  254   2HB   ALA  47          2HB       ALA  47   8.559   2.607   8.344
  255   3HB   ALA  47          3HB       ALA  47  10.037   1.774   8.819
  256    H    LEU  48           H        LEU  48   8.115  -1.288   6.289
  257    HA   LEU  48           HA       LEU  48   5.490  -0.184   5.571
  258   1HB   LEU  48          2HB       LEU  48   6.844  -2.779   4.858
  259   2HB   LEU  48          1HB       LEU  48   5.215  -2.366   4.436
  260    HG   LEU  48           HG       LEU  48   7.672  -0.918   3.418
  261   1HD1  LEU  48          1HD1      LEU  48   5.783  -2.837   2.068
  262   2HD1  LEU  48          2HD1      LEU  48   7.314  -3.293   2.764
  263   3HD1  LEU  48          3HD1      LEU  48   7.288  -2.159   1.382
  264   1HD2  LEU  48          1HD2      LEU  48   4.756  -0.765   2.657
  265   2HD2  LEU  48          2HD2      LEU  48   6.066   0.069   1.831
  266   3HD2  LEU  48          3HD2      LEU  48   5.657   0.505   3.486
  267    H    ALA  49           H        ALA  49   3.560  -1.377   6.223
  268    HA   ALA  49           HA       ALA  49   3.891  -3.426   8.224
  269   1HB   ALA  49          1HB       ALA  49   2.396  -0.854   8.781
  270   2HB   ALA  49          2HB       ALA  49   3.934  -1.335   9.514
  271   3HB   ALA  49          3HB       ALA  49   2.480  -2.268   9.838
  272    H    LYS  50           H        LYS  50   2.287  -4.871   8.120
  273    HA   LYS  50           HA       LYS  50   0.492  -6.010   7.382
  274   1HB   LYS  50          2HB       LYS  50  -0.852  -3.304   7.417
  275   2HB   LYS  50          1HB       LYS  50  -1.676  -4.860   7.515
  276   1HG   LYS  50          2HG       LYS  50  -0.263  -5.271   9.610
  277   2HG   LYS  50          1HG       LYS  50   0.200  -3.579   9.291
  278   1HD   LYS  50          2HD       LYS  50  -1.963  -2.762   9.773
  279   2HD   LYS  50          1HD       LYS  50  -2.667  -4.400   9.764
  280   1HE   LYS  50          2HE       LYS  50  -1.322  -4.959  11.743
  281   2HE   LYS  50          1HE       LYS  50  -0.656  -3.330  11.759
  282   1HZ   LYS  50          1HZ       LYS  50  -2.903  -2.476  12.265
  283   2HZ   LYS  50          2HZ       LYS  50  -2.413  -3.612  13.378
  284   3HZ   LYS  50          3HZ       LYS  50  -3.509  -4.061  12.208
  285    H    VAL  51           H        VAL  51   2.251  -5.249   5.447
  286    HA   VAL  51           HA       VAL  51   1.232  -4.007   3.158
  287    HB   VAL  51           HB       VAL  51   3.438  -6.025   3.522
  288   1HG1  VAL  51          1HG1      VAL  51   2.980  -4.144   1.194
  289   2HG1  VAL  51          2HG1      VAL  51   2.839  -5.900   1.155
  290   3HG1  VAL  51          3HG1      VAL  51   4.406  -5.144   1.469
  291   1HG2  VAL  51          1HG2      VAL  51   3.438  -3.035   3.462
  292   2HG2  VAL  51          2HG2      VAL  51   4.862  -4.078   3.517
  293   3HG2  VAL  51          3HG2      VAL  51   3.715  -4.080   4.858
  294    H    ARG  52           H        ARG  52  -0.419  -4.863   1.827
  295    HA   ARG  52           HA       ARG  52  -0.360  -7.500   0.753
  296   1HB   ARG  52          2HB       ARG  52  -1.443  -7.777   3.052
  297   2HB   ARG  52          1HB       ARG  52  -2.705  -6.688   2.517
  298   1HG   ARG  52          2HG       ARG  52  -3.626  -8.800   2.212
  299   2HG   ARG  52          1HG       ARG  52  -3.054  -8.349   0.596
  300   1HD   ARG  52          2HD       ARG  52  -2.377 -10.586   0.890
  301   2HD   ARG  52          1HD       ARG  52  -0.935  -9.627   1.209
  302    HE   ARG  52           HE       ARG  52  -2.419 -10.167   3.580
  303   1HH1  ARG  52          1HH1      ARG  52   0.087 -11.402   1.424
  304   2HH1  ARG  52          2HH1      ARG  52   0.595 -12.643   2.456
  305   1HH2  ARG  52          1HH2      ARG  52  -1.731 -11.979   5.060
  306   2HH2  ARG  52          2HH2      ARG  52  -0.506 -13.003   4.539
  307    H    SER  53           H        SER  53  -1.807  -7.511  -1.112
  308    HA   SER  53           HA       SER  53  -3.301  -5.031  -1.628
  309   1HB   SER  53          2HB       SER  53  -1.587  -6.552  -3.624
  310   2HB   SER  53          1HB       SER  53  -2.590  -5.137  -3.980
  311    HG   SER  53           HG       SER  53  -0.789  -4.157  -3.605
  312    H    PHE  54           H        PHE  54  -5.238  -5.368  -2.758
  313    HA   PHE  54           HA       PHE  54  -5.760  -7.992  -3.838
  314   1HB   PHE  54          2HB       PHE  54  -7.443  -6.904  -1.603
  315   2HB   PHE  54          1HB       PHE  54  -8.135  -7.978  -2.806
  316    HD1  PHE  54           HD1      PHE  54  -6.989 -10.222  -3.161
  317    HD2  PHE  54           HD2      PHE  54  -6.285  -7.761   0.230
  318    HE1  PHE  54           HE1      PHE  54  -6.150 -12.171  -1.949
  319    HE2  PHE  54           HE2      PHE  54  -5.429  -9.730   1.453
  320    HZ   PHE  54           HZ       PHE  54  -5.370 -11.934   0.368
  321    H    GLY  55           H        GLY  55  -8.256  -5.614  -3.220
  322   1HA   GLY  55          2HA       GLY  55  -8.166  -4.672  -5.934
  323   2HA   GLY  55          1HA       GLY  55  -9.467  -5.821  -5.643
  324    H    THR  56           H        THR  56 -10.509  -5.214  -3.329
  325    HA   THR  56           HA       THR  56 -11.067  -2.416  -3.570
  326    HB   THR  56           HB       THR  56 -13.008  -4.622  -3.308
  327    HG1  THR  56           HG1      THR  56 -12.314  -3.978  -5.393
  328   1HG2  THR  56          1HG2      THR  56 -13.869  -3.143  -1.783
  329   2HG2  THR  56          2HG2      THR  56 -14.784  -2.857  -3.267
  330   3HG2  THR  56          3HG2      THR  56 -13.500  -1.717  -2.775
  331    H    GLU  57           H        GLU  57 -11.053  -1.249  -1.690
  332    HA   GLU  57           HA       GLU  57 -10.841  -2.680   0.837
  333   1HB   GLU  57          2HB       GLU  57 -10.058  -0.547   1.759
  334   2HB   GLU  57          1HB       GLU  57  -9.092  -1.092   0.388
  335   1HG   GLU  57          2HG       GLU  57 -10.382   0.440  -1.023
  336   2HG   GLU  57          1HG       GLU  57 -11.222   1.024   0.399
  337    H    ASP  58           H        ASP  58 -12.716  -0.159  -0.627
  338    HA   ASP  58           HA       ASP  58 -14.280   0.628   1.597
  339   1HB   ASP  58          2HB       ASP  58 -14.103   2.059  -0.391
  340   2HB   ASP  58          1HB       ASP  58 -14.901   0.847  -1.368
  341    H    ARG  59           H        ARG  59 -15.315  -1.194  -1.219
  342    HA   ARG  59           HA       ARG  59 -17.414  -2.519   0.283
  343   1HB   ARG  59          2HB       ARG  59 -16.612  -2.784  -2.656
  344   2HB   ARG  59          1HB       ARG  59 -18.063  -3.434  -1.940
  345   1HG   ARG  59          2HG       ARG  59 -18.920  -1.211  -1.475
  346   2HG   ARG  59          1HG       ARG  59 -17.426  -0.500  -2.060
  347   1HD   ARG  59          2HD       ARG  59 -19.159  -0.318  -3.757
  348   2HD   ARG  59          1HD       ARG  59 -17.877  -1.397  -4.293
  349    HE   ARG  59           HE       ARG  59 -19.885  -2.930  -3.090
  350   1HH1  ARG  59          1HH1      ARG  59 -19.439  -0.898  -5.990
  351   2HH1  ARG  59          2HH1      ARG  59 -20.481  -1.758  -6.965
  352   1HH2  ARG  59          1HH2      ARG  59 -21.427  -4.162  -4.446
  353   2HH2  ARG  59          2HH2      ARG  59 -21.674  -3.684  -6.049
  354    HA   PRO  60           HA       PRO  60 -14.767  -5.933   0.700
  355   1HB   PRO  60          2HB       PRO  60 -16.275  -8.177   0.749
  356   2HB   PRO  60          1HB       PRO  60 -16.465  -6.891   1.945
  357   1HG   PRO  60          2HG       PRO  60 -18.184  -7.566  -0.370
  358   2HG   PRO  60          1HG       PRO  60 -18.612  -6.798   1.163
  359   1HD   PRO  60          2HD       PRO  60 -18.112  -5.496  -1.346
  360   2HD   PRO  60          1HD       PRO  60 -18.431  -4.727   0.222
  361    H    THR  61           H        THR  61 -14.825  -5.198  -2.039
  362    HA   THR  61           HA       THR  61 -14.216  -5.793  -4.169
  363    HB   THR  61           HB       THR  61 -12.131  -6.161  -2.566
  364    HG1  THR  61           HG1      THR  61 -11.829  -7.453  -5.149
  365   1HG2  THR  61          1HG2      THR  61 -12.568  -8.983  -3.481
  366   2HG2  THR  61          2HG2      THR  61 -12.906  -8.420  -1.862
  367   3HG2  THR  61          3HG2      THR  61 -11.228  -8.382  -2.470
  368    H    ASP  62           H        ASP  62 -13.336  -7.981  -5.261
  369    HA   ASP  62           HA       ASP  62 -15.373  -9.497  -6.374
  370   1HB   ASP  62          2HB       ASP  62 -12.645 -10.642  -5.711
  371   2HB   ASP  62          1HB       ASP  62 -13.710 -11.060  -7.047
  372    H    ARG  63           H        ARG  63 -13.156 -10.701  -3.868
  373    HA   ARG  63           HA       ARG  63 -15.203 -11.994  -2.361
  374   1HB   ARG  63          2HB       ARG  63 -14.980 -13.672  -4.106
  375   2HB   ARG  63          1HB       ARG  63 -13.238 -13.722  -3.915
  376   1HG   ARG  63          2HG       ARG  63 -13.570 -14.651  -1.638
  377   2HG   ARG  63          1HG       ARG  63 -15.304 -14.633  -1.915
  378   1HD   ARG  63          2HD       ARG  63 -13.271 -16.165  -3.551
  379   2HD   ARG  63          1HD       ARG  63 -14.316 -16.854  -2.307
  380    HE   ARG  63           HE       ARG  63 -15.919 -15.563  -4.176
  381   1HH1  ARG  63          1HH1      ARG  63 -13.726 -18.374  -4.146
  382   2HH1  ARG  63          2HH1      ARG  63 -14.566 -19.223  -5.338
  383   1HH2  ARG  63          1HH2      ARG  63 -17.104 -16.797  -5.876
  384   2HH2  ARG  63          2HH2      ARG  63 -16.502 -18.306  -6.340
  385    HA   PRO  64           HA       PRO  64 -11.182 -12.449   0.165
  386   1HB   PRO  64          2HB       PRO  64  -8.757 -12.288  -0.878
  387   2HB   PRO  64          1HB       PRO  64  -9.753 -13.721  -1.186
  388   1HG   PRO  64          2HG       PRO  64  -9.142 -11.407  -2.971
  389   2HG   PRO  64          1HG       PRO  64  -9.324 -13.126  -3.395
  390   1HD   PRO  64          2HD       PRO  64 -11.260 -11.135  -3.687
  391   2HD   PRO  64          1HD       PRO  64 -11.528 -12.886  -3.742
  392    H    ILE  65           H        ILE  65 -10.956 -10.898   1.572
  393    HA   ILE  65           HA       ILE  65  -9.575  -8.487   0.814
  394    HB   ILE  65           HB       ILE  65 -10.990  -7.237   2.499
  395   1HG1  ILE  65          2HG1      ILE  65 -12.149  -9.331   3.321
  396   2HG1  ILE  65          1HG1      ILE  65 -13.215  -7.934   3.091
  397   1HG2  ILE  65          1HG2      ILE  65 -12.165  -7.953  -0.112
  398   2HG2  ILE  65          2HG2      ILE  65 -11.028  -6.653   0.246
  399   3HG2  ILE  65          3HG2      ILE  65 -12.687  -6.586   0.878
  400   1HD1  ILE  65          1HD1      ILE  65 -14.257 -10.022   2.375
  401   2HD1  ILE  65          2HD1      ILE  65 -12.877 -10.353   1.323
  402   3HD1  ILE  65          3HD1      ILE  65 -13.935  -8.993   0.977
  403    H    ALA  66           H        ALA  66  -8.232  -7.726   2.275
  404    HA   ALA  66           HA       ALA  66  -7.728  -9.515   4.513
  405   1HB   ALA  66          1HB       ALA  66  -6.055  -7.271   3.362
  406   2HB   ALA  66          2HB       ALA  66  -5.791  -9.010   3.178
  407   3HB   ALA  66          3HB       ALA  66  -5.606  -8.257   4.745
  408    HA   PRO  67           HA       PRO  67  -9.773  -6.395   7.086
  409   1HB   PRO  67          2HB       PRO  67  -9.289  -8.214   9.297
  410   2HB   PRO  67          1HB       PRO  67 -10.837  -7.799   8.558
  411   1HG   PRO  67          2HG       PRO  67  -9.677 -10.257   8.389
  412   2HG   PRO  67          1HG       PRO  67 -10.773  -9.609   7.153
  413   1HD   PRO  67          2HD       PRO  67  -7.786  -9.778   7.188
  414   2HD   PRO  67          1HD       PRO  67  -8.928 -10.052   5.849
  415    H    ARG  68           H        ARG  68  -6.755  -6.848   6.683
  416    HA   ARG  68           HA       ARG  68  -4.799  -5.880   7.318
  417   1HB   ARG  68          2HB       ARG  68  -6.322  -4.603   9.620
  418   2HB   ARG  68          1HB       ARG  68  -4.703  -4.188   9.077
  419   1HG   ARG  68          2HG       ARG  68  -5.515  -3.303   7.026
  420   2HG   ARG  68          1HG       ARG  68  -7.153  -3.895   7.344
  421   1HD   ARG  68          2HD       ARG  68  -5.659  -1.777   8.890
  422   2HD   ARG  68          1HD       ARG  68  -7.036  -1.525   7.817
  423    HE   ARG  68           HE       ARG  68  -7.735  -3.393   9.771
  424   1HH1  ARG  68          1HH1      ARG  68  -7.244   0.101   9.403
  425   2HH1  ARG  68          2HH1      ARG  68  -8.119   0.525  10.796
  426   1HH2  ARG  68          1HH2      ARG  68  -8.990  -2.810  11.693
  427   2HH2  ARG  68          2HH2      ARG  68  -9.151  -1.188  12.139
  428    H    ASP  69           H        ASP  69  -6.627  -7.765   9.526
  429    HA   ASP  69           HA       ASP  69  -4.339  -8.392  11.244
  430   1HB   ASP  69          2HB       ASP  69  -7.154  -9.531  11.262
  431   2HB   ASP  69          1HB       ASP  69  -5.912  -9.821  12.462
  432    H    GLU  70           H        GLU  70  -4.922  -9.248   8.280
  433    HA   GLU  70           HA       GLU  70  -4.559 -12.148   8.660
  434   1HB   GLU  70          2HB       GLU  70  -6.426 -11.465   7.198
  435   2HB   GLU  70          1HB       GLU  70  -5.266 -10.673   6.122
  436   1HG   GLU  70          2HG       GLU  70  -4.182 -12.853   5.797
  437   2HG   GLU  70          1HG       GLU  70  -5.472 -13.612   6.714
  438    H    THR  71           H        THR  71  -2.976  -9.288   7.669
  439    HA   THR  71           HA       THR  71  -1.098 -10.500   5.913
  440    HB   THR  71           HB       THR  71  -1.020  -7.810   7.292
  441    HG1  THR  71           HG1      THR  71  -1.799  -7.196   5.082
  442   1HG2  THR  71          1HG2      THR  71   1.135  -8.529   6.318
  443   2HG2  THR  71          2HG2      THR  71   0.459  -7.169   5.442
  444   3HG2  THR  71          3HG2      THR  71   0.351  -8.775   4.761
  445    H    PHE  72           H        PHE  72   1.154 -10.767   6.358
  446    HA   PHE  72           HA       PHE  72   1.914 -11.693   8.880
  447   1HB   PHE  72          2HB       PHE  72   4.261 -11.518   8.002
  448   2HB   PHE  72          1HB       PHE  72   3.167 -12.342   6.915
  449    HD1  PHE  72           HD1      PHE  72   2.633 -11.436   4.751
  450    HD2  PHE  72           HD2      PHE  72   5.076  -9.235   7.457
  451    HE1  PHE  72           HE1      PHE  72   3.269  -9.924   2.941
  452    HE2  PHE  72           HE2      PHE  72   5.716  -7.723   5.667
  453    HZ   PHE  72           HZ       PHE  72   4.801  -8.077   3.357
  454    H    GLU  73           H        GLU  73   3.651 -10.660  10.191
  455    HA   GLU  73           HA       GLU  73   2.603  -8.486  11.483
  456   1HB   GLU  73          2HB       GLU  73   5.492  -9.390  11.499
  457   2HB   GLU  73          1HB       GLU  73   4.742  -8.362  12.702
  458   1HG   GLU  73          2HG       GLU  73   3.191 -10.103  13.325
  459   2HG   GLU  73          1HG       GLU  73   3.766 -11.153  12.056
  460    H    TYR  74           H        TYR  74   5.635  -8.227   9.470
  461    HA   TYR  74           HA       TYR  74   4.812  -6.179   7.900
  462   1HB   TYR  74          2HB       TYR  74   5.815  -4.182   8.769
  463   2HB   TYR  74          1HB       TYR  74   4.614  -4.792   9.860
  464    HD1  TYR  74           HD1      TYR  74   5.363  -6.149  11.840
  465    HD2  TYR  74           HD2      TYR  74   7.957  -3.750   9.603
  466    HE1  TYR  74           HE1      TYR  74   6.925  -6.087  13.793
  467    HE2  TYR  74           HE2      TYR  74   9.572  -3.652  11.512
  468    HH   TYR  74           HH       TYR  74   9.522  -3.892  13.923
  469    H    ILE  75           H        ILE  75   6.978  -4.769   7.126
  470    HA   ILE  75           HA       ILE  75   9.265  -6.516   7.201
  471    HB   ILE  75           HB       ILE  75   8.047  -7.400   5.284
  472   1HG1  ILE  75          2HG1      ILE  75   9.692  -6.978   3.432
  473   2HG1  ILE  75          1HG1      ILE  75  10.384  -5.695   4.416
  474   1HG2  ILE  75          1HG2      ILE  75   8.025  -4.608   4.184
  475   2HG2  ILE  75          2HG2      ILE  75   6.628  -5.491   4.778
  476   3HG2  ILE  75          3HG2      ILE  75   7.476  -6.050   3.327
  477   1HD1  ILE  75          1HD1      ILE  75  10.988  -7.340   6.130
  478   2HD1  ILE  75          2HD1      ILE  75  11.722  -7.685   4.573
  479   3HD1  ILE  75          3HD1      ILE  75  10.340  -8.633   5.112
  480    H    ILE  76           H        ILE  76  11.107  -5.396   7.219
  481    HA   ILE  76           HA       ILE  76  10.963  -2.535   6.623
  482    HB   ILE  76           HB       ILE  76  12.858  -3.999   8.490
  483   1HG1  ILE  76          2HG1      ILE  76  10.613  -3.840   9.454
  484   2HG1  ILE  76          1HG1      ILE  76  11.719  -2.789  10.319
  485   1HG2  ILE  76          1HG2      ILE  76  13.683  -1.789   9.148
  486   2HG2  ILE  76          2HG2      ILE  76  12.603  -1.049   7.963
  487   3HG2  ILE  76          3HG2      ILE  76  13.919  -2.074   7.415
  488   1HD1  ILE  76          1HD1      ILE  76  10.828  -0.869   9.056
  489   2HD1  ILE  76          2HD1      ILE  76   9.624  -1.687  10.039
  490   3HD1  ILE  76          3HD1      ILE  76   9.669  -1.961   8.284
  491    H    PHE  77           H        PHE  77  12.168  -1.843   4.976
  492    HA   PHE  77           HA       PHE  77  14.097  -3.729   3.858
  493   1HB   PHE  77          2HB       PHE  77  12.670  -1.417   2.549
  494   2HB   PHE  77          1HB       PHE  77  13.975  -2.316   1.780
  495    HD1  PHE  77           HD1      PHE  77  13.612  -4.838   1.445
  496    HD2  PHE  77           HD2      PHE  77  10.473  -2.139   2.468
  497    HE1  PHE  77           HE1      PHE  77  11.934  -6.477   0.663
  498    HE2  PHE  77           HE2      PHE  77   8.822  -3.781   1.689
  499    HZ   PHE  77           HZ       PHE  77   9.583  -5.952   0.741
  500    H    ARG  78           H        ARG  78  16.039  -2.710   2.809
  501    HA   ARG  78           HA       ARG  78  17.201  -1.161   4.945
  502   1HB   ARG  78          2HB       ARG  78  18.411  -2.747   2.687
  503   2HB   ARG  78          1HB       ARG  78  19.370  -1.619   3.630
  504   1HG   ARG  78          2HG       ARG  78  19.646  -3.897   4.444
  505   2HG   ARG  78          1HG       ARG  78  18.873  -2.879   5.662
  506   1HD   ARG  78          2HD       ARG  78  16.698  -3.856   5.038
  507   2HD   ARG  78          1HD       ARG  78  17.514  -4.877   3.852
  508    HE   ARG  78           HE       ARG  78  18.807  -5.407   6.172
  509   1HH1  ARG  78          1HH1      ARG  78  15.357  -5.542   5.314
  510   2HH1  ARG  78          2HH1      ARG  78  15.047  -6.829   6.376
  511   1HH2  ARG  78          1HH2      ARG  78  18.310  -7.123   7.657
  512   2HH2  ARG  78          2HH2      ARG  78  16.736  -7.754   7.727
  513    H    GLY  79           H        GLY  79  15.731  -0.470   2.113
  514   1HA   GLY  79          2HA       GLY  79  15.353   1.700   1.280
  515   2HA   GLY  79          1HA       GLY  79  16.669   2.265   2.312
  516    H    SER  80           H        SER  80  18.799   1.267   1.631
  517    HA   SER  80           HA       SER  80  19.275   2.093  -1.058
  518   1HB   SER  80          2HB       SER  80  21.633   1.413  -0.549
  519   2HB   SER  80          1HB       SER  80  20.937   2.590   0.574
  520    HG   SER  80           HG       SER  80  21.649  -0.069   0.964
  521    H    ASP  81           H        ASP  81  17.900  -0.698  -0.013
  522    HA   ASP  81           HA       ASP  81  19.252  -2.327  -2.031
  523   1HB   ASP  81          2HB       ASP  81  18.749  -4.296  -0.798
  524   2HB   ASP  81          1HB       ASP  81  19.212  -3.116   0.425
  525    H    ILE  82           H        ILE  82  16.745  -0.379  -1.995
  526    HA   ILE  82           HA       ILE  82  14.855  -2.254  -3.170
  527    HB   ILE  82           HB       ILE  82  13.284  -0.393  -3.313
  528   1HG1  ILE  82          2HG1      ILE  82  15.500   1.270  -2.088
  529   2HG1  ILE  82          1HG1      ILE  82  14.877   1.412  -3.730
  530   1HG2  ILE  82          1HG2      ILE  82  14.587  -0.645  -0.596
  531   2HG2  ILE  82          2HG2      ILE  82  13.309  -1.690  -1.248
  532   3HG2  ILE  82          3HG2      ILE  82  12.965  -0.018  -0.870
  533   1HD1  ILE  82          1HD1      ILE  82  14.026   3.187  -2.287
  534   2HD1  ILE  82          2HD1      ILE  82  13.355   1.984  -1.188
  535   3HD1  ILE  82          3HD1      ILE  82  12.715   2.140  -2.828
  536    H    LYS  83           H        LYS  83  14.094  -2.100  -5.311
  537    HA   LYS  83           HA       LYS  83  15.973  -0.677  -7.068
  538   1HB   LYS  83          2HB       LYS  83  14.145  -2.996  -7.684
  539   2HB   LYS  83          1HB       LYS  83  15.195  -2.204  -8.855
  540   1HG   LYS  83          2HG       LYS  83  16.082  -3.699  -6.389
  541   2HG   LYS  83          1HG       LYS  83  16.154  -4.317  -8.033
  542   1HD   LYS  83          2HD       LYS  83  17.736  -2.524  -8.650
  543   2HD   LYS  83          1HD       LYS  83  17.663  -1.894  -7.014
  544   1HE   LYS  83          2HE       LYS  83  18.610  -3.977  -6.151
  545   2HE   LYS  83          1HE       LYS  83  18.635  -4.662  -7.777
  546   1HZ   LYS  83          1HZ       LYS  83  20.817  -3.844  -7.094
  547   2HZ   LYS  83          2HZ       LYS  83  20.223  -2.291  -6.895
  548   3HZ   LYS  83          3HZ       LYS  83  20.251  -2.993  -8.421
  549    H    ASP  84           H        ASP  84  12.464  -1.248  -6.695
  550    HA   ASP  84           HA       ASP  84  12.009   1.251  -8.203
  551   1HB   ASP  84          2HB       ASP  84  10.414  -1.305  -8.429
  552   2HB   ASP  84          1HB       ASP  84   9.871   0.226  -9.064
  553    H    LEU  85           H        LEU  85  10.326   2.527  -7.489
  554    HA   LEU  85           HA       LEU  85   8.536   1.669  -5.344
  555   1HB   LEU  85          2HB       LEU  85  10.720   2.521  -4.259
  556   2HB   LEU  85          1HB       LEU  85  10.362   4.070  -4.979
  557    HG   LEU  85           HG       LEU  85   8.598   2.685  -2.932
  558   1HD1  LEU  85          1HD1      LEU  85  10.594   4.916  -2.559
  559   2HD1  LEU  85          2HD1      LEU  85  10.738   3.247  -1.985
  560   3HD1  LEU  85          3HD1      LEU  85   9.471   4.288  -1.347
  561   1HD2  LEU  85          1HD2      LEU  85   7.506   4.872  -2.692
  562   2HD2  LEU  85          2HD2      LEU  85   7.422   4.296  -4.363
  563   3HD2  LEU  85          3HD2      LEU  85   8.575   5.544  -3.924
  564    H    THR  86           H        THR  86   6.746   2.144  -6.259
  565    HA   THR  86           HA       THR  86   6.573   4.633  -7.781
  566    HB   THR  86           HB       THR  86   4.614   2.322  -7.730
  567    HG1  THR  86           HG1      THR  86   6.546   2.912  -9.764
  568   1HG2  THR  86          1HG2      THR  86   3.795   3.333  -9.828
  569   2HG2  THR  86          2HG2      THR  86   4.971   4.627  -9.656
  570   3HG2  THR  86          3HG2      THR  86   3.666   4.461  -8.476
  571    H    VAL  87           H        VAL  87   5.954   6.231  -6.488
  572    HA   VAL  87           HA       VAL  87   4.066   5.680  -4.380
  573    HB   VAL  87           HB       VAL  87   5.976   7.022  -3.678
  574   1HG1  VAL  87          1HG1      VAL  87   6.590   8.100  -5.788
  575   2HG1  VAL  87          2HG1      VAL  87   6.416   9.293  -4.500
  576   3HG1  VAL  87          3HG1      VAL  87   5.136   9.093  -5.692
  577   1HG2  VAL  87          1HG2      VAL  87   4.845   8.948  -2.652
  578   2HG2  VAL  87          2HG2      VAL  87   3.868   7.477  -2.548
  579   3HG2  VAL  87          3HG2      VAL  87   3.483   8.715  -3.743
  580    H    CYS  88           H        CYS  88   2.009   5.590  -5.034
  581    HA   CYS  88           HA       CYS  88   0.900   7.934  -6.269
  582   1HB   CYS  88          2HB       CYS  88  -0.273   6.585  -8.022
  583   2HB   CYS  88          1HB       CYS  88   1.483   6.748  -8.219
  584    HG   CYS  88           HG       CYS  88   0.003   4.006  -6.832
  585    H    GLU  89           H        GLU  89  -0.317   8.390  -4.609
  586    HA   GLU  89           HA       GLU  89  -2.250   6.412  -3.745
  587   1HB   GLU  89          2HB       GLU  89  -2.553   7.996  -1.757
  588   2HB   GLU  89          1HB       GLU  89  -1.020   7.142  -1.859
  589   1HG   GLU  89          2HG       GLU  89   0.060   9.144  -2.728
  590   2HG   GLU  89          1HG       GLU  89  -1.483  10.001  -2.708
  591    HA   PRO  90           HA       PRO  90  -5.349   9.075  -5.515
  592   1HB   PRO  90          2HB       PRO  90  -7.585   7.880  -4.542
  593   2HB   PRO  90          1HB       PRO  90  -6.556   7.127  -5.775
  594   1HG   PRO  90          2HG       PRO  90  -6.820   6.502  -2.884
  595   2HG   PRO  90          1HG       PRO  90  -6.336   5.447  -4.246
  596   1HD   PRO  90          2HD       PRO  90  -4.654   6.779  -2.327
  597   2HD   PRO  90          1HD       PRO  90  -4.157   5.795  -3.712
  598    HA   PRO  91           HA       PRO  91  -6.140  11.672  -1.876
  599   1HB   PRO  91          2HB       PRO  91  -5.674  14.036  -3.052
  600   2HB   PRO  91          1HB       PRO  91  -4.354  12.969  -2.538
  601   1HG   PRO  91          2HG       PRO  91  -5.335  13.579  -5.267
  602   2HG   PRO  91          1HG       PRO  91  -3.738  13.025  -4.726
  603   1HD   PRO  91          2HD       PRO  91  -5.843  11.438  -5.855
  604   2HD   PRO  91          1HD       PRO  91  -4.281  10.880  -5.246
  605    H    LYS  92           H        LYS  92  -7.940  12.736  -1.223
  606    HA   LYS  92           HA       LYS  92  -9.844  13.685  -3.229
  607   1HB   LYS  92          2HB       LYS  92 -10.313  11.335  -2.082
  608   2HB   LYS  92          1HB       LYS  92 -10.716  12.288  -0.679
  609   1HG   LYS  92          2HG       LYS  92 -12.075  12.423  -3.366
  610   2HG   LYS  92          1HG       LYS  92 -12.707  11.600  -1.940
  611   1HD   LYS  92          2HD       LYS  92 -12.799  13.826  -0.827
  612   2HD   LYS  92          1HD       LYS  92 -12.287  14.574  -2.339
  613   1HE   LYS  92          2HE       LYS  92 -14.788  12.948  -1.881
  614   2HE   LYS  92          1HE       LYS  92 -14.713  14.690  -2.134
  615   1HZ   LYS  92          1HZ       LYS  92 -13.846  14.265  -4.368
  616   2HZ   LYS  92          2HZ       LYS  92 -15.367  13.545  -4.153
  617   3HZ   LYS  92          3HZ       LYS  92 -13.985  12.608  -4.120
  618    HA   PRO  93           HA       PRO  93  -8.721  16.788  -0.105
  619   1HB   PRO  93          2HB       PRO  93  -8.939  18.982  -1.739
  620   2HB   PRO  93          1HB       PRO  93  -7.492  17.997  -1.569
  621   1HG   PRO  93          2HG       PRO  93  -9.378  18.133  -3.824
  622   2HG   PRO  93          1HG       PRO  93  -7.718  17.523  -3.773
  623   1HD   PRO  93          2HD       PRO  93 -10.148  16.032  -3.782
  624   2HD   PRO  93          1HD       PRO  93  -8.485  15.413  -3.678
  625    H    ILE  94           H        ILE  94 -11.227  17.539  -2.448
  626    HA   ILE  94           HA       ILE  94 -13.187  17.983  -0.330
  627    HB   ILE  94           HB       ILE  94 -12.648  20.069  -2.501
  628   1HG1  ILE  94          2HG1      ILE  94 -12.364  20.341   0.512
  629   2HG1  ILE  94          1HG1      ILE  94 -11.017  20.231  -0.614
  630   1HG2  ILE  94          1HG2      ILE  94 -14.457  21.377  -1.486
  631   2HG2  ILE  94          2HG2      ILE  94 -14.739  20.085  -0.326
  632   3HG2  ILE  94          3HG2      ILE  94 -15.050  19.800  -2.039
  633   1HD1  ILE  94          1HD1      ILE  94 -11.403  22.526   0.106
  634   2HD1  ILE  94          2HD1      ILE  94 -13.058  22.460  -0.490
  635   3HD1  ILE  94          3HD1      ILE  94 -11.711  22.358  -1.620
  636    H    MET  95           H        MET  95 -12.606  18.430  -3.786
  637    HA   MET  95           HA       MET  95 -14.810  16.616  -4.354
  638   1HB   MET  95          2HB       MET  95 -13.872  19.035  -5.943
  639   2HB   MET  95          1HB       MET  95 -15.027  17.856  -6.534
  640   1HG   MET  95          2HG       MET  95 -15.376  19.624  -4.126
  641   2HG   MET  95          1HG       MET  95 -16.120  19.889  -5.706
  642   1HE   MET  95          1HE       MET  95 -18.491  20.090  -4.486
  643   2HE   MET  95          2HE       MET  95 -17.776  19.744  -2.904
  644   3HE   MET  95          3HE       MET  95 -19.170  18.820  -3.465
  Start of MODEL    5
    1    HA   PRO  16           HA       PRO  16  -8.252  -1.497   8.443
    2   1HB   PRO  16          2HB       PRO  16  -5.835  -2.139   9.498
    3   2HB   PRO  16          1HB       PRO  16  -6.537  -3.015   8.134
    4   1HG   PRO  16          2HG       PRO  16  -4.386  -0.952   8.156
    5   2HG   PRO  16          1HG       PRO  16  -4.568  -2.395   7.143
    6   1HD   PRO  16          2HD       PRO  16  -5.188   0.213   6.395
    7   2HD   PRO  16          1HD       PRO  16  -5.763  -1.255   5.580
    8    H    TYR  17           H        TYR  17  -5.830   1.015   8.416
    9    HA   TYR  17           HA       TYR  17  -6.941   2.338  10.712
   10   1HB   TYR  17          2HB       TYR  17  -4.078   1.323  10.817
   11   2HB   TYR  17          1HB       TYR  17  -4.715   2.550  11.909
   12    HD1  TYR  17           HD1      TYR  17  -4.266  -0.954  11.274
   13    HD2  TYR  17           HD2      TYR  17  -6.595   1.841  13.498
   14    HE1  TYR  17           HE1      TYR  17  -4.973  -2.760  12.776
   15    HE2  TYR  17           HE2      TYR  17  -7.295   0.045  15.013
   16    HH   TYR  17           HH       TYR  17  -7.535  -2.406  14.939
   17    H    ILE  18           H        ILE  18  -3.751   2.302   9.116
   18    HA   ILE  18           HA       ILE  18  -4.221   4.612   7.537
   19    HB   ILE  18           HB       ILE  18  -3.920   5.613   9.793
   20   1HG1  ILE  18          2HG1      ILE  18  -1.606   6.136   7.933
   21   2HG1  ILE  18          1HG1      ILE  18  -3.218   6.804   7.725
   22   1HG2  ILE  18          1HG2      ILE  18  -1.164   4.353   9.692
   23   2HG2  ILE  18          2HG2      ILE  18  -2.460   3.931  10.808
   24   3HG2  ILE  18          3HG2      ILE  18  -1.705   5.534  10.882
   25   1HD1  ILE  18          1HD1      ILE  18  -3.026   7.933   9.841
   26   2HD1  ILE  18          2HD1      ILE  18  -1.764   8.435   8.697
   27   3HD1  ILE  18          3HD1      ILE  18  -1.370   7.335  10.031
   28    H    GLY  19           H        GLY  19  -2.276   5.040   6.190
   29   1HA   GLY  19          2HA       GLY  19   0.193   4.140   6.235
   30   2HA   GLY  19          1HA       GLY  19  -0.680   2.691   5.748
   31    H    SER  20           H        SER  20   1.201   4.073   3.973
   32    HA   SER  20           HA       SER  20  -0.776   5.299   2.146
   33   1HB   SER  20          2HB       SER  20   2.242   5.455   2.032
   34   2HB   SER  20          1HB       SER  20   1.127   6.319   0.980
   35    HG   SER  20           HG       SER  20   0.702   6.578   3.680
   36    H    LYS  21           H        LYS  21  -1.034   4.585  -0.039
   37    HA   LYS  21           HA       LYS  21  -0.416   1.765  -0.371
   38   1HB   LYS  21          2HB       LYS  21  -2.225   3.665  -1.881
   39   2HB   LYS  21          1HB       LYS  21  -1.982   1.988  -2.324
   40   1HG   LYS  21          2HG       LYS  21  -3.051   2.855   0.361
   41   2HG   LYS  21          1HG       LYS  21  -4.086   2.485  -1.015
   42   1HD   LYS  21          2HD       LYS  21  -2.088   0.573   0.210
   43   2HD   LYS  21          1HD       LYS  21  -3.812   0.602   0.610
   44   1HE   LYS  21          2HE       LYS  21  -2.629   0.059  -2.133
   45   2HE   LYS  21          1HE       LYS  21  -3.218  -1.164  -1.011
   46   1HZ   LYS  21          1HZ       LYS  21  -4.857  -0.650  -2.692
   47   2HZ   LYS  21          2HZ       LYS  21  -4.862   0.973  -2.273
   48   3HZ   LYS  21          3HZ       LYS  21  -5.442  -0.186  -1.178
   49    H    ILE  22           H        ILE  22   1.540   1.405  -1.225
   50    HA   ILE  22           HA       ILE  22   2.135   2.783  -3.751
   51    HB   ILE  22           HB       ILE  22   4.489   3.056  -3.237
   52   1HG1  ILE  22          2HG1      ILE  22   3.868   1.809  -0.557
   53   2HG1  ILE  22          1HG1      ILE  22   4.758   1.055  -1.846
   54   1HG2  ILE  22          1HG2      ILE  22   4.425   4.753  -1.475
   55   2HG2  ILE  22          2HG2      ILE  22   2.848   4.138  -0.959
   56   3HG2  ILE  22          3HG2      ILE  22   3.016   4.869  -2.541
   57   1HD1  ILE  22          1HD1      ILE  22   6.273   1.899  -0.124
   58   2HD1  ILE  22          2HD1      ILE  22   5.658   3.537  -0.396
   59   3HD1  ILE  22          3HD1      ILE  22   6.529   2.700  -1.674
   60    H    SER  23           H        SER  23   4.330   1.653  -4.445
   61    HA   SER  23           HA       SER  23   4.184  -1.235  -4.177
   62   1HB   SER  23          2HB       SER  23   4.323   0.230  -6.835
   63   2HB   SER  23          1HB       SER  23   4.355  -1.521  -6.605
   64    HG   SER  23           HG       SER  23   2.242  -0.744  -5.355
   65    H    LEU  24           H        LEU  24   6.183  -1.955  -3.809
   66    HA   LEU  24           HA       LEU  24   8.497  -0.349  -4.644
   67   1HB   LEU  24          2HB       LEU  24   7.909   0.202  -2.272
   68   2HB   LEU  24          1HB       LEU  24   8.002  -1.484  -1.863
   69    HG   LEU  24           HG       LEU  24  10.455   0.070  -2.767
   70   1HD1  LEU  24          1HD1      LEU  24  10.955   0.307  -0.378
   71   2HD1  LEU  24          2HD1      LEU  24   9.400  -0.420   0.027
   72   3HD1  LEU  24          3HD1      LEU  24   9.449   1.135  -0.782
   73   1HD2  LEU  24          1HD2      LEU  24  11.602  -1.666  -1.600
   74   2HD2  LEU  24          2HD2      LEU  24  10.566  -2.369  -2.844
   75   3HD2  LEU  24          3HD2      LEU  24  10.089  -2.440  -1.134
   76    H    ILE  25           H        ILE  25  10.185  -1.556  -5.418
   77    HA   ILE  25           HA       ILE  25   9.870  -4.476  -5.265
   78    HB   ILE  25           HB       ILE  25  11.529  -2.867  -7.227
   79   1HG1  ILE  25          2HG1      ILE  25   8.924  -4.358  -7.613
   80   2HG1  ILE  25          1HG1      ILE  25   9.092  -2.611  -7.556
   81   1HG2  ILE  25          1HG2      ILE  25  12.462  -5.089  -6.714
   82   2HG2  ILE  25          2HG2      ILE  25  11.816  -5.103  -8.353
   83   3HG2  ILE  25          3HG2      ILE  25  10.920  -5.860  -7.021
   84   1HD1  ILE  25          1HD1      ILE  25   8.884  -3.400  -9.838
   85   2HD1  ILE  25          2HD1      ILE  25  10.326  -4.406  -9.624
   86   3HD1  ILE  25          3HD1      ILE  25  10.447  -2.642  -9.539
   87    H    SER  26           H        SER  26  11.178  -5.469  -4.018
   88    HA   SER  26           HA       SER  26  13.472  -4.150  -2.865
   89   1HB   SER  26          2HB       SER  26  11.953  -5.557  -1.446
   90   2HB   SER  26          1HB       SER  26  12.374  -6.949  -2.427
   91    HG   SER  26           HG       SER  26  13.698  -5.875  -0.347
   92    H    LYS  27           H        LYS  27  15.541  -5.295  -2.829
   93    HA   LYS  27           HA       LYS  27  16.600  -5.740  -5.382
   94   1HB   LYS  27          2HB       LYS  27  18.695  -6.489  -4.224
   95   2HB   LYS  27          1HB       LYS  27  18.077  -4.928  -3.737
   96   1HG   LYS  27          2HG       LYS  27  18.891  -6.133  -1.785
   97   2HG   LYS  27          1HG       LYS  27  17.155  -5.920  -1.694
   98   1HD   LYS  27          2HD       LYS  27  16.798  -8.175  -2.450
   99   2HD   LYS  27          1HD       LYS  27  18.533  -8.437  -2.587
  100   1HE   LYS  27          2HE       LYS  27  17.068  -7.812   0.004
  101   2HE   LYS  27          1HE       LYS  27  17.656  -9.405  -0.463
  102   1HZ   LYS  27          1HZ       LYS  27  19.211  -8.350   1.079
  103   2HZ   LYS  27          2HZ       LYS  27  19.305  -6.990   0.168
  104   3HZ   LYS  27          3HZ       LYS  27  19.957  -8.425  -0.422
  105    H    ALA  28           H        ALA  28  14.748  -7.895  -3.827
  106    HA   ALA  28           HA       ALA  28  16.048 -10.299  -4.809
  107   1HB   ALA  28          1HB       ALA  28  15.012 -10.358  -2.576
  108   2HB   ALA  28          2HB       ALA  28  14.217 -11.475  -3.679
  109   3HB   ALA  28          3HB       ALA  28  13.467  -9.909  -3.294
  110    H    GLU  29           H        GLU  29  14.523  -7.930  -6.192
  111    HA   GLU  29           HA       GLU  29  13.512  -7.534  -8.114
  112   1HB   GLU  29          2HB       GLU  29  13.536 -10.532  -8.575
  113   2HB   GLU  29          1HB       GLU  29  13.285  -9.327  -9.815
  114   1HG   GLU  29          2HG       GLU  29  15.810  -9.799  -8.245
  115   2HG   GLU  29          1HG       GLU  29  15.508 -10.242  -9.913
  116    H    ILE  30           H        ILE  30  12.071  -8.053  -5.681
  117    HA   ILE  30           HA       ILE  30   9.580  -9.308  -6.653
  118    HB   ILE  30           HB       ILE  30  10.414  -8.945  -3.766
  119   1HG1  ILE  30          2HG1      ILE  30  11.807 -10.628  -4.830
  120   2HG1  ILE  30          1HG1      ILE  30  10.686 -11.390  -3.716
  121   1HG2  ILE  30          1HG2      ILE  30   8.524 -10.429  -3.254
  122   2HG2  ILE  30          2HG2      ILE  30   8.050 -10.346  -4.963
  123   3HG2  ILE  30          3HG2      ILE  30   8.054  -8.882  -3.970
  124   1HD1  ILE  30          1HD1      ILE  30  10.899 -12.695  -5.754
  125   2HD1  ILE  30          2HD1      ILE  30  10.402 -11.313  -6.719
  126   3HD1  ILE  30          3HD1      ILE  30   9.264 -12.075  -5.617
  127    H    ARG  31           H        ARG  31   7.813  -8.246  -6.872
  128    HA   ARG  31           HA       ARG  31   7.680  -5.393  -6.309
  129   1HB   ARG  31          2HB       ARG  31   5.834  -7.290  -7.765
  130   2HB   ARG  31          1HB       ARG  31   5.576  -5.552  -7.665
  131   1HG   ARG  31          2HG       ARG  31   7.611  -5.163  -8.941
  132   2HG   ARG  31          1HG       ARG  31   7.937  -6.898  -8.993
  133   1HD   ARG  31          2HD       ARG  31   5.508  -5.539 -10.185
  134   2HD   ARG  31          1HD       ARG  31   6.951  -5.965 -11.083
  135    HE   ARG  31           HE       ARG  31   5.940  -8.243  -9.752
  136   1HH1  ARG  31          1HH1      ARG  31   5.150  -6.145 -12.507
  137   2HH1  ARG  31          2HH1      ARG  31   4.428  -7.373 -13.405
  138   1HH2  ARG  31          1HH2      ARG  31   4.958  -9.957 -11.082
  139   2HH2  ARG  31          2HH2      ARG  31   4.353  -9.574 -12.620
  140    H    TYR  32           H        TYR  32   6.838  -4.757  -4.379
  141    HA   TYR  32           HA       TYR  32   4.780  -6.421  -3.089
  142   1HB   TYR  32          2HB       TYR  32   6.622  -4.331  -1.950
  143   2HB   TYR  32          1HB       TYR  32   5.355  -5.124  -1.019
  144    HD1  TYR  32           HD1      TYR  32   8.716  -5.306  -2.261
  145    HD2  TYR  32           HD2      TYR  32   5.548  -7.625  -0.629
  146    HE1  TYR  32           HE1      TYR  32  10.310  -7.093  -1.706
  147    HE2  TYR  32           HE2      TYR  32   7.134  -9.408  -0.068
  148    HH   TYR  32           HH       TYR  32   9.351 -10.212  -0.808
  149    H    GLU  33           H        GLU  33   2.889  -5.454  -2.263
  150    HA   GLU  33           HA       GLU  33   2.279  -2.697  -2.976
  151   1HB   GLU  33          2HB       GLU  33   1.460  -4.149  -4.845
  152   2HB   GLU  33          1HB       GLU  33   0.586  -5.131  -3.681
  153   1HG   GLU  33          2HG       GLU  33  -0.034  -2.223  -4.285
  154   2HG   GLU  33          1HG       GLU  33  -0.814  -3.577  -5.073
  155    H    GLY  34           H        GLY  34   1.345  -1.748  -1.261
  156   1HA   GLY  34          2HA       GLY  34  -0.527  -2.730   0.468
  157   2HA   GLY  34          1HA       GLY  34   1.003  -3.208   1.170
  158    H    ILE  35           H        ILE  35   0.646  -1.757   3.062
  159    HA   ILE  35           HA       ILE  35   0.984   1.004   2.257
  160    HB   ILE  35           HB       ILE  35  -0.161   1.746   4.158
  161   1HG1  ILE  35          2HG1      ILE  35  -0.027  -0.194   5.688
  162   2HG1  ILE  35          1HG1      ILE  35  -1.653   0.435   5.573
  163   1HG2  ILE  35          1HG2      ILE  35  -1.410   1.740   2.137
  164   2HG2  ILE  35          2HG2      ILE  35  -2.512   1.299   3.432
  165   3HG2  ILE  35          3HG2      ILE  35  -1.866   0.054   2.363
  166   1HD1  ILE  35          1HD1      ILE  35  -2.227  -1.417   4.062
  167   2HD1  ILE  35          2HD1      ILE  35  -1.709  -1.939   5.655
  168   3HD1  ILE  35          3HD1      ILE  35  -0.606  -2.087   4.300
  169    H    LEU  36           H        LEU  36   2.521   1.991   2.936
  170    HA   LEU  36           HA       LEU  36   4.223   0.910   4.973
  171   1HB   LEU  36          2HB       LEU  36   5.349   3.109   4.885
  172   2HB   LEU  36          1HB       LEU  36   5.675   2.010   3.489
  173    HG   LEU  36           HG       LEU  36   5.704   4.297   2.844
  174   1HD1  LEU  36          1HD1      LEU  36   3.908   4.631   1.329
  175   2HD1  LEU  36          2HD1      LEU  36   2.963   3.380   2.148
  176   3HD1  LEU  36          3HD1      LEU  36   4.448   2.950   1.312
  177   1HD2  LEU  36          1HD2      LEU  36   3.143   4.720   4.356
  178   2HD2  LEU  36          2HD2      LEU  36   3.988   5.945   3.404
  179   3HD2  LEU  36          3HD2      LEU  36   4.746   5.255   4.849
  180    H    TYR  37           H        TYR  37   4.979   1.967   6.870
  181    HA   TYR  37           HA       TYR  37   2.801   3.467   8.129
  182   1HB   TYR  37          2HB       TYR  37   3.147   1.277   9.131
  183   2HB   TYR  37          1HB       TYR  37   4.852   1.611   9.377
  184    HD1  TYR  37           HD1      TYR  37   1.450   2.830  10.356
  185    HD2  TYR  37           HD2      TYR  37   5.558   2.470  11.467
  186    HE1  TYR  37           HE1      TYR  37   0.919   3.670  12.614
  187    HE2  TYR  37           HE2      TYR  37   5.024   3.313  13.722
  188    HH   TYR  37           HH       TYR  37   1.838   3.569  14.872
  189    H    THR  38           H        THR  38   6.325   3.304   7.724
  190    HA   THR  38           HA       THR  38   6.485   6.126   8.225
  191    HB   THR  38           HB       THR  38   8.006   4.127   9.955
  192    HG1  THR  38           HG1      THR  38   5.659   5.414  10.275
  193   1HG2  THR  38          1HG2      THR  38   9.438   6.038   9.453
  194   2HG2  THR  38          2HG2      THR  38   8.892   6.146  11.144
  195   3HG2  THR  38          3HG2      THR  38   8.149   7.150   9.918
  196    H    ILE  39           H        ILE  39   8.571   7.016   7.449
  197    HA   ILE  39           HA       ILE  39  10.178   5.167   5.863
  198    HB   ILE  39           HB       ILE  39   9.096   7.837   4.863
  199   1HG1  ILE  39          2HG1      ILE  39   8.579   5.045   3.820
  200   2HG1  ILE  39          1HG1      ILE  39   7.433   5.960   4.788
  201   1HG2  ILE  39          1HG2      ILE  39  10.914   5.863   3.476
  202   2HG2  ILE  39          2HG2      ILE  39  11.396   7.430   4.109
  203   3HG2  ILE  39          3HG2      ILE  39  10.255   7.335   2.758
  204   1HD1  ILE  39          1HD1      ILE  39   8.445   6.683   2.038
  205   2HD1  ILE  39          2HD1      ILE  39   7.341   7.667   3.007
  206   3HD1  ILE  39          3HD1      ILE  39   6.837   6.077   2.437
  207    H    ASP  40           H        ASP  40  12.282   5.476   6.363
  208    HA   ASP  40           HA       ASP  40  13.026   8.012   7.611
  209   1HB   ASP  40          2HB       ASP  40  14.532   5.369   7.668
  210   2HB   ASP  40          1HB       ASP  40  15.043   6.857   8.449
  211    H    THR  41           H        THR  41  13.443   9.306   5.985
  212    HA   THR  41           HA       THR  41  14.351   8.780   3.475
  213    HB   THR  41           HB       THR  41  14.735  11.308   5.073
  214    HG1  THR  41           HG1      THR  41  12.540  10.631   3.401
  215   1HG2  THR  41          1HG2      THR  41  15.922  11.323   2.915
  216   2HG2  THR  41          2HG2      THR  41  14.532  12.400   2.868
  217   3HG2  THR  41          3HG2      THR  41  14.449  10.820   2.089
  218    H    GLU  42           H        GLU  42  16.403   9.545   6.339
  219    HA   GLU  42           HA       GLU  42  18.729  10.172   4.985
  220   1HB   GLU  42          2HB       GLU  42  18.505   8.843   7.696
  221   2HB   GLU  42          1HB       GLU  42  19.905   9.709   7.062
  222   1HG   GLU  42          2HG       GLU  42  18.638  11.753   6.966
  223   2HG   GLU  42          1HG       GLU  42  17.207  10.918   7.592
  224    H    ASN  43           H        ASN  43  17.643   6.968   6.007
  225    HA   ASN  43           HA       ASN  43  19.953   5.792   4.567
  226   1HB   ASN  43          2HB       ASN  43  18.082   4.557   6.619
  227   2HB   ASN  43          1HB       ASN  43  19.338   3.675   5.764
  228   1HD2  ASN  43          1HD2      ASN  43  20.366   3.118   7.695
  229   2HD2  ASN  43          2HD2      ASN  43  21.218   4.292   8.632
  230    H    SER  44           H        SER  44  16.938   6.690   4.019
  231    HA   SER  44           HA       SER  44  15.325   6.288   2.504
  232   1HB   SER  44          2HB       SER  44  17.372   4.421   1.246
  233   2HB   SER  44          1HB       SER  44  15.917   5.044   0.449
  234    HG   SER  44           HG       SER  44  17.659   6.880   1.592
  235    H    THR  45           H        THR  45  15.736   4.519   4.919
  236    HA   THR  45           HA       THR  45  14.815   1.936   4.110
  237    HB   THR  45           HB       THR  45  14.750   1.403   6.430
  238    HG1  THR  45           HG1      THR  45  14.326   3.707   7.112
  239   1HG2  THR  45          1HG2      THR  45  17.267   2.758   5.552
  240   2HG2  THR  45          2HG2      THR  45  16.770   1.072   5.303
  241   3HG2  THR  45          3HG2      THR  45  17.143   1.660   6.935
  242    H    VAL  46           H        VAL  46  12.844   1.334   3.943
  243    HA   VAL  46           HA       VAL  46  10.719   3.156   4.803
  244    HB   VAL  46           HB       VAL  46  10.615   0.876   2.804
  245   1HG1  VAL  46          1HG1      VAL  46   8.453   1.177   3.881
  246   2HG1  VAL  46          2HG1      VAL  46   8.390   1.724   2.197
  247   3HG1  VAL  46          3HG1      VAL  46   8.468   2.900   3.505
  248   1HG2  VAL  46          1HG2      VAL  46  10.400   2.644   1.108
  249   2HG2  VAL  46          2HG2      VAL  46  11.911   2.781   2.003
  250   3HG2  VAL  46          3HG2      VAL  46  10.573   3.861   2.372
  251    H    ALA  47           H        ALA  47   9.549   2.628   6.508
  252    HA   ALA  47           HA       ALA  47   9.708  -0.057   7.571
  253   1HB   ALA  47          1HB       ALA  47   8.576   0.915   9.537
  254   2HB   ALA  47          2HB       ALA  47   8.495   2.464   8.702
  255   3HB   ALA  47          3HB       ALA  47  10.059   1.786   9.137
  256    H    LEU  48           H        LEU  48   8.349  -1.380   6.602
  257    HA   LEU  48           HA       LEU  48   5.774  -0.375   5.687
  258   1HB   LEU  48          2HB       LEU  48   7.674  -1.782   4.374
  259   2HB   LEU  48          1HB       LEU  48   6.864  -3.100   5.156
  260    HG   LEU  48           HG       LEU  48   5.999  -2.970   2.945
  261   1HD1  LEU  48          1HD1      LEU  48   4.358  -3.399   4.673
  262   2HD1  LEU  48          2HD1      LEU  48   3.669  -2.608   3.233
  263   3HD1  LEU  48          3HD1      LEU  48   3.959  -1.687   4.689
  264   1HD2  LEU  48          1HD2      LEU  48   5.455  -0.077   3.474
  265   2HD2  LEU  48          2HD2      LEU  48   5.009  -0.965   2.017
  266   3HD2  LEU  48          3HD2      LEU  48   6.716  -0.721   2.419
  267    H    ALA  49           H        ALA  49   3.870  -1.611   6.395
  268    HA   ALA  49           HA       ALA  49   4.227  -3.470   8.539
  269   1HB   ALA  49          1HB       ALA  49   2.841  -0.806   8.921
  270   2HB   ALA  49          2HB       ALA  49   4.329  -1.319   9.714
  271   3HB   ALA  49          3HB       ALA  49   2.803  -2.143  10.067
  272    H    LYS  50           H        LYS  50   2.624  -4.914   8.346
  273    HA   LYS  50           HA       LYS  50   1.000  -6.051   7.356
  274   1HB   LYS  50          2HB       LYS  50  -1.352  -5.053   7.571
  275   2HB   LYS  50          1HB       LYS  50  -0.428  -5.211   9.047
  276   1HG   LYS  50          2HG       LYS  50   0.254  -2.973   8.933
  277   2HG   LYS  50          1HG       LYS  50  -0.595  -2.709   7.428
  278   1HD   LYS  50          2HD       LYS  50  -2.746  -3.005   8.539
  279   2HD   LYS  50          1HD       LYS  50  -1.923  -3.370  10.060
  280   1HE   LYS  50          2HE       LYS  50  -2.722  -1.004   9.833
  281   2HE   LYS  50          1HE       LYS  50  -1.016  -1.171  10.216
  282   1HZ   LYS  50          1HZ       LYS  50  -0.504  -0.819   7.883
  283   2HZ   LYS  50          2HZ       LYS  50  -1.377   0.511   8.425
  284   3HZ   LYS  50          3HZ       LYS  50  -2.114  -0.683   7.484
  285    H    VAL  51           H        VAL  51   2.437  -5.446   5.462
  286    HA   VAL  51           HA       VAL  51   1.311  -3.927   3.354
  287    HB   VAL  51           HB       VAL  51   3.691  -4.585   3.420
  288   1HG1  VAL  51          1HG1      VAL  51   4.486  -6.797   2.902
  289   2HG1  VAL  51          2HG1      VAL  51   2.837  -7.408   3.009
  290   3HG1  VAL  51          3HG1      VAL  51   3.613  -6.661   4.425
  291   1HG2  VAL  51          1HG2      VAL  51   2.846  -4.011   1.251
  292   2HG2  VAL  51          2HG2      VAL  51   2.262  -5.646   0.984
  293   3HG2  VAL  51          3HG2      VAL  51   4.006  -5.326   1.090
  294    H    ARG  52           H        ARG  52  -0.654  -4.360   2.408
  295    HA   ARG  52           HA       ARG  52  -1.217  -6.859   1.220
  296   1HB   ARG  52          2HB       ARG  52  -1.782  -6.936   3.855
  297   2HB   ARG  52          1HB       ARG  52  -3.217  -6.080   3.315
  298   1HG   ARG  52          2HG       ARG  52  -3.717  -8.419   3.455
  299   2HG   ARG  52          1HG       ARG  52  -3.654  -7.960   1.752
  300   1HD   ARG  52          2HD       ARG  52  -1.360  -8.809   1.585
  301   2HD   ARG  52          1HD       ARG  52  -1.377  -9.202   3.305
  302    HE   ARG  52           HE       ARG  52  -3.468 -10.536   2.161
  303   1HH1  ARG  52          1HH1      ARG  52   0.031 -10.487   1.985
  304   2HH1  ARG  52          2HH1      ARG  52   0.226 -12.087   1.416
  305   1HH2  ARG  52          1HH2      ARG  52  -3.272 -12.783   1.341
  306   2HH2  ARG  52          2HH2      ARG  52  -1.719 -13.392   0.983
  307    H    SER  53           H        SER  53  -3.533  -6.594   0.254
  308    HA   SER  53           HA       SER  53  -3.894  -3.900  -0.735
  309   1HB   SER  53          2HB       SER  53  -5.562  -6.396  -1.113
  310   2HB   SER  53          1HB       SER  53  -5.738  -4.898  -2.021
  311    HG   SER  53           HG       SER  53  -3.362  -5.325  -2.499
  312    H    PHE  54           H        PHE  54  -5.021  -2.430   0.196
  313    HA   PHE  54           HA       PHE  54  -7.378  -3.188   1.709
  314   1HB   PHE  54          2HB       PHE  54  -5.289  -1.243   2.679
  315   2HB   PHE  54          1HB       PHE  54  -6.928  -1.390   3.309
  316    HD1  PHE  54           HD1      PHE  54  -7.600  -3.402   4.564
  317    HD2  PHE  54           HD2      PHE  54  -3.601  -2.791   3.249
  318    HE1  PHE  54           HE1      PHE  54  -6.839  -5.172   6.085
  319    HE2  PHE  54           HE2      PHE  54  -2.827  -4.566   4.776
  320    HZ   PHE  54           HZ       PHE  54  -4.480  -5.660   6.317
  321    H    GLY  55           H        GLY  55  -9.030  -1.759   1.652
  322   1HA   GLY  55          2HA       GLY  55  -9.391   0.773   1.225
  323   2HA   GLY  55          1HA       GLY  55  -8.967   0.267  -0.417
  324    H    THR  56           H        THR  56 -11.579   0.979   1.350
  325    HA   THR  56           HA       THR  56 -13.291  -0.065  -0.350
  326    HB   THR  56           HB       THR  56 -13.335  -1.805   2.183
  327    HG1  THR  56           HG1      THR  56 -13.837  -3.142  -0.089
  328   1HG2  THR  56          1HG2      THR  56 -15.446  -2.847   1.471
  329   2HG2  THR  56          2HG2      THR  56 -15.579  -1.682   0.165
  330   3HG2  THR  56          3HG2      THR  56 -15.671  -1.140   1.844
  331    H    GLU  57           H        GLU  57 -14.031  -0.027   3.160
  332    HA   GLU  57           HA       GLU  57 -15.408   0.934   4.413
  333   1HB   GLU  57          2HB       GLU  57 -14.982   3.385   2.716
  334   2HB   GLU  57          1HB       GLU  57 -16.040   3.381   4.133
  335   1HG   GLU  57          2HG       GLU  57 -13.075   2.776   4.145
  336   2HG   GLU  57          1HG       GLU  57 -13.873   4.237   4.738
  337    H    ASP  58           H        ASP  58 -16.876   2.612   1.759
  338    HA   ASP  58           HA       ASP  58 -19.299   1.124   2.465
  339   1HB   ASP  58          2HB       ASP  58 -19.593   3.534   2.269
  340   2HB   ASP  58          1HB       ASP  58 -18.914   3.506   0.632
  341    H    ARG  59           H        ARG  59 -16.836   1.076  -0.036
  342    HA   ARG  59           HA       ARG  59 -18.581  -0.673  -1.619
  343   1HB   ARG  59          2HB       ARG  59 -17.059   1.621  -2.776
  344   2HB   ARG  59          1HB       ARG  59 -18.103   0.551  -3.666
  345   1HG   ARG  59          2HG       ARG  59 -20.063   1.245  -2.418
  346   2HG   ARG  59          1HG       ARG  59 -19.080   2.336  -1.459
  347   1HD   ARG  59          2HD       ARG  59 -18.651   3.643  -3.497
  348   2HD   ARG  59          1HD       ARG  59 -19.730   2.552  -4.389
  349    HE   ARG  59           HE       ARG  59 -20.846   3.523  -1.971
  350   1HH1  ARG  59          1HH1      ARG  59 -20.446   4.306  -5.394
  351   2HH1  ARG  59          2HH1      ARG  59 -21.813   5.316  -5.470
  352   1HH2  ARG  59          1HH2      ARG  59 -22.639   4.857  -2.045
  353   2HH2  ARG  59          2HH2      ARG  59 -23.160   5.664  -3.442
  354    HA   PRO  60           HA       PRO  60 -14.709  -2.693  -2.014
  355   1HB   PRO  60          2HB       PRO  60 -15.242  -4.208  -4.237
  356   2HB   PRO  60          1HB       PRO  60 -15.783  -4.648  -2.613
  357   1HG   PRO  60          2HG       PRO  60 -17.325  -3.337  -4.824
  358   2HG   PRO  60          1HG       PRO  60 -17.858  -4.557  -3.654
  359   1HD   PRO  60          2HD       PRO  60 -18.448  -1.919  -3.419
  360   2HD   PRO  60          1HD       PRO  60 -18.256  -2.999  -2.019
  361    H    THR  61           H        THR  61 -13.822  -0.633  -2.521
  362    HA   THR  61           HA       THR  61 -13.512   0.490  -5.019
  363    HB   THR  61           HB       THR  61 -12.684   1.332  -2.795
  364    HG1  THR  61           HG1      THR  61 -10.435   1.702  -4.288
  365   1HG2  THR  61          1HG2      THR  61 -10.318  -0.458  -3.418
  366   2HG2  THR  61          2HG2      THR  61 -11.378  -0.567  -2.013
  367   3HG2  THR  61          3HG2      THR  61 -10.322   0.791  -2.188
  368    H    ASP  62           H        ASP  62 -11.163   0.575  -5.978
  369    HA   ASP  62           HA       ASP  62 -10.663  -1.930  -7.265
  370   1HB   ASP  62          2HB       ASP  62 -10.367   0.375  -8.333
  371   2HB   ASP  62          1HB       ASP  62  -8.903   0.537  -7.373
  372    H    ARG  63           H        ARG  63 -10.095  -3.210  -5.916
  373    HA   ARG  63           HA       ARG  63  -8.674  -4.685  -4.816
  374   1HB   ARG  63          2HB       ARG  63  -6.778  -2.327  -4.461
  375   2HB   ARG  63          1HB       ARG  63  -6.449  -3.933  -3.841
  376   1HG   ARG  63          2HG       ARG  63  -6.755  -3.251  -6.784
  377   2HG   ARG  63          1HG       ARG  63  -5.222  -3.415  -5.936
  378   1HD   ARG  63          2HD       ARG  63  -7.288  -5.606  -6.273
  379   2HD   ARG  63          1HD       ARG  63  -5.810  -5.433  -7.216
  380    HE   ARG  63           HE       ARG  63  -5.203  -5.520  -4.465
  381   1HH1  ARG  63          1HH1      ARG  63  -6.148  -7.684  -7.103
  382   2HH1  ARG  63          2HH1      ARG  63  -5.468  -9.088  -6.385
  383   1HH2  ARG  63          1HH2      ARG  63  -4.262  -7.395  -3.516
  384   2HH2  ARG  63          2HH2      ARG  63  -4.348  -8.920  -4.302
  385    HA   PRO  64           HA       PRO  64 -11.392  -3.210  -1.548
  386   1HB   PRO  64          2HB       PRO  64 -11.603  -6.157  -1.256
  387   2HB   PRO  64          1HB       PRO  64 -12.878  -4.945  -1.323
  388   1HG   PRO  64          2HG       PRO  64 -12.465  -6.422  -3.439
  389   2HG   PRO  64          1HG       PRO  64 -12.682  -4.662  -3.602
  390   1HD   PRO  64          2HD       PRO  64 -10.115  -6.232  -3.651
  391   2HD   PRO  64          1HD       PRO  64 -10.679  -4.973  -4.759
  392    H    ILE  65           H        ILE  65 -11.774  -4.183   0.731
  393    HA   ILE  65           HA       ILE  65  -9.223  -3.899   2.054
  394    HB   ILE  65           HB       ILE  65 -10.462  -3.823   4.120
  395   1HG1  ILE  65          2HG1      ILE  65 -12.972  -3.979   2.436
  396   2HG1  ILE  65          1HG1      ILE  65 -12.386  -5.188   3.561
  397   1HG2  ILE  65          1HG2      ILE  65  -9.857  -1.841   3.255
  398   2HG2  ILE  65          2HG2      ILE  65 -11.520  -1.678   3.856
  399   3HG2  ILE  65          3HG2      ILE  65 -11.205  -1.815   2.132
  400   1HD1  ILE  65          1HD1      ILE  65 -14.208  -3.855   4.512
  401   2HD1  ILE  65          2HD1      ILE  65 -13.223  -2.409   4.284
  402   3HD1  ILE  65          3HD1      ILE  65 -12.693  -3.662   5.404
  403    H    ALA  66           H        ALA  66  -8.430  -5.143   3.485
  404    HA   ALA  66           HA       ALA  66  -9.276  -7.960   3.479
  405   1HB   ALA  66          1HB       ALA  66  -6.941  -7.554   2.793
  406   2HB   ALA  66          2HB       ALA  66  -7.038  -8.519   4.278
  407   3HB   ALA  66          3HB       ALA  66  -6.621  -6.809   4.358
  408    HA   PRO  67           HA       PRO  67 -10.665  -7.284   7.697
  409   1HB   PRO  67          2HB       PRO  67 -11.558  -9.753   8.237
  410   2HB   PRO  67          1HB       PRO  67 -12.360  -8.758   7.025
  411   1HG   PRO  67          2HG       PRO  67 -10.350 -10.937   6.627
  412   2HG   PRO  67          1HG       PRO  67 -11.883 -10.671   5.773
  413   1HD   PRO  67          2HD       PRO  67  -9.450  -9.916   4.781
  414   2HD   PRO  67          1HD       PRO  67 -10.953  -9.070   4.379
  415    H    ARG  68           H        ARG  68  -7.849  -7.833   7.190
  416    HA   ARG  68           HA       ARG  68  -5.918  -8.304   8.196
  417   1HB   ARG  68          2HB       ARG  68  -6.717  -7.486  10.346
  418   2HB   ARG  68          1HB       ARG  68  -7.554  -9.003  10.664
  419   1HG   ARG  68          2HG       ARG  68  -5.350 -10.175  10.655
  420   2HG   ARG  68          1HG       ARG  68  -4.560  -8.626  10.430
  421   1HD   ARG  68          2HD       ARG  68  -5.406  -7.881  12.600
  422   2HD   ARG  68          1HD       ARG  68  -6.256  -9.410  12.797
  423    HE   ARG  68           HE       ARG  68  -3.569  -9.989  12.300
  424   1HH1  ARG  68          1HH1      ARG  68  -5.464  -8.531  14.944
  425   2HH1  ARG  68          2HH1      ARG  68  -4.409  -8.969  16.173
  426   1HH2  ARG  68          1HH2      ARG  68  -2.082 -10.636  13.942
  427   2HH2  ARG  68          2HH2      ARG  68  -2.378 -10.265  15.574
  428    H    ASP  69           H        ASP  69  -4.977  -9.838   7.084
  429    HA   ASP  69           HA       ASP  69  -5.666 -12.547   7.659
  430   1HB   ASP  69          2HB       ASP  69  -3.712 -13.022   6.023
  431   2HB   ASP  69          1HB       ASP  69  -5.149 -12.258   5.365
  432    H    GLU  70           H        GLU  70  -2.359 -11.052   7.648
  433    HA   GLU  70           HA       GLU  70  -2.003 -11.105  10.413
  434   1HB   GLU  70          2HB       GLU  70  -2.204 -13.576  10.266
  435   2HB   GLU  70          1HB       GLU  70  -0.829 -13.618   9.182
  436   1HG   GLU  70          2HG       GLU  70  -0.092 -14.189  11.390
  437   2HG   GLU  70          1HG       GLU  70   0.587 -12.636  10.968
  438    H    THR  71           H        THR  71  -0.498  -9.748  10.740
  439    HA   THR  71           HA       THR  71   2.134 -10.071   9.701
  440    HB   THR  71           HB       THR  71   0.729  -7.437   9.015
  441    HG1  THR  71           HG1      THR  71   0.707  -9.688   7.608
  442   1HG2  THR  71          1HG2      THR  71   3.086  -7.217   9.624
  443   2HG2  THR  71          2HG2      THR  71   2.856  -6.901   7.885
  444   3HG2  THR  71          3HG2      THR  71   3.516  -8.432   8.425
  445    H    PHE  72           H        PHE  72   2.896 -10.105  11.795
  446    HA   PHE  72           HA       PHE  72   2.123  -7.824  13.490
  447   1HB   PHE  72          2HB       PHE  72   1.455 -10.056  14.330
  448   2HB   PHE  72          1HB       PHE  72   3.135 -10.537  14.421
  449    HD1  PHE  72           HD1      PHE  72   0.545  -8.337  15.818
  450    HD2  PHE  72           HD2      PHE  72   4.519  -9.803  16.258
  451    HE1  PHE  72           HE1      PHE  72   0.620  -7.431  18.092
  452    HE2  PHE  72           HE2      PHE  72   4.607  -8.906  18.537
  453    HZ   PHE  72           HZ       PHE  72   2.653  -7.716  19.465
  454    H    GLU  73           H        GLU  73   4.929  -9.744  12.410
  455    HA   GLU  73           HA       GLU  73   6.719  -8.014  13.856
  456   1HB   GLU  73          2HB       GLU  73   8.522  -9.450  12.876
  457   2HB   GLU  73          1HB       GLU  73   7.311 -10.331  13.784
  458   1HG   GLU  73          2HG       GLU  73   6.244 -10.925  11.579
  459   2HG   GLU  73          1HG       GLU  73   7.620 -10.184  10.793
  460    H    TYR  74           H        TYR  74   5.336  -8.136  10.795
  461    HA   TYR  74           HA       TYR  74   5.300  -6.787   8.957
  462   1HB   TYR  74          2HB       TYR  74   6.978  -4.683  10.357
  463   2HB   TYR  74          1HB       TYR  74   5.728  -4.565   9.114
  464    HD1  TYR  74           HD1      TYR  74   3.310  -5.262   9.858
  465    HD2  TYR  74           HD2      TYR  74   6.404  -4.183  12.561
  466    HE1  TYR  74           HE1      TYR  74   1.624  -4.752  11.566
  467    HE2  TYR  74           HE2      TYR  74   4.727  -3.673  14.289
  468    HH   TYR  74           HH       TYR  74   1.490  -4.603  14.032
  469    H    ILE  75           H        ILE  75   7.157  -5.031   7.770
  470    HA   ILE  75           HA       ILE  75   9.618  -6.547   7.590
  471    HB   ILE  75           HB       ILE  75   9.651  -6.471   5.129
  472   1HG1  ILE  75          2HG1      ILE  75   8.003  -4.679   4.708
  473   2HG1  ILE  75          1HG1      ILE  75   7.679  -6.110   3.748
  474   1HG2  ILE  75          1HG2      ILE  75   9.106  -8.535   6.122
  475   2HG2  ILE  75          2HG2      ILE  75   8.161  -8.324   4.646
  476   3HG2  ILE  75          3HG2      ILE  75   7.397  -8.101   6.225
  477   1HD1  ILE  75          1HD1      ILE  75   6.186  -5.228   6.222
  478   2HD1  ILE  75          2HD1      ILE  75   5.876  -6.715   5.340
  479   3HD1  ILE  75          3HD1      ILE  75   5.605  -5.165   4.557
  480    H    ILE  76           H        ILE  76  11.347  -5.302   7.408
  481    HA   ILE  76           HA       ILE  76  10.888  -2.442   6.962
  482    HB   ILE  76           HB       ILE  76  13.176  -3.793   8.450
  483   1HG1  ILE  76          2HG1      ILE  76  11.130  -3.964   9.733
  484   2HG1  ILE  76          1HG1      ILE  76  12.212  -2.817  10.491
  485   1HG2  ILE  76          1HG2      ILE  76  13.914  -1.711   7.411
  486   2HG2  ILE  76          2HG2      ILE  76  13.806  -1.521   9.164
  487   3HG2  ILE  76          3HG2      ILE  76  12.542  -0.867   8.138
  488   1HD1  ILE  76          1HD1      ILE  76  10.877  -0.953   9.528
  489   2HD1  ILE  76          2HD1      ILE  76   9.917  -1.998  10.574
  490   3HD1  ILE  76          3HD1      ILE  76   9.778  -2.137   8.824
  491    H    PHE  77           H        PHE  77  11.849  -1.513   5.236
  492    HA   PHE  77           HA       PHE  77  13.542  -3.258   3.644
  493   1HB   PHE  77          2HB       PHE  77  12.060  -0.731   2.916
  494   2HB   PHE  77          1HB       PHE  77  13.154  -1.572   1.826
  495    HD1  PHE  77           HD1      PHE  77  12.609  -3.978   1.213
  496    HD2  PHE  77           HD2      PHE  77   9.839  -1.391   3.134
  497    HE1  PHE  77           HE1      PHE  77  10.769  -5.411   0.483
  498    HE2  PHE  77           HE2      PHE  77   7.985  -2.837   2.405
  499    HZ   PHE  77           HZ       PHE  77   8.486  -4.924   1.127
  500    H    ARG  78           H        ARG  78  15.567  -2.881   3.339
  501    HA   ARG  78           HA       ARG  78  16.912  -1.098   5.076
  502   1HB   ARG  78          2HB       ARG  78  17.842  -2.873   2.874
  503   2HB   ARG  78          1HB       ARG  78  18.954  -1.797   3.685
  504   1HG   ARG  78          2HG       ARG  78  19.125  -4.018   4.611
  505   2HG   ARG  78          1HG       ARG  78  18.451  -2.942   5.820
  506   1HD   ARG  78          2HD       ARG  78  16.204  -3.850   5.336
  507   2HD   ARG  78          1HD       ARG  78  16.916  -4.895   4.104
  508    HE   ARG  78           HE       ARG  78  18.358  -5.508   6.274
  509   1HH1  ARG  78          1HH1      ARG  78  14.782  -5.362   5.933
  510   2HH1  ARG  78          2HH1      ARG  78  14.585  -6.681   6.985
  511   1HH2  ARG  78          1HH2      ARG  78  17.964  -7.276   7.698
  512   2HH2  ARG  78          2HH2      ARG  78  16.355  -7.772   7.976
  513    H    GLY  79           H        GLY  79  15.535  -0.496   2.053
  514   1HA   GLY  79          2HA       GLY  79  15.491   1.491   0.853
  515   2HA   GLY  79          1HA       GLY  79  16.656   2.177   2.004
  516    H    SER  80           H        SER  80  18.668   0.610   1.738
  517    HA   SER  80           HA       SER  80  19.757   1.238  -0.883
  518   1HB   SER  80          2HB       SER  80  20.947  -0.477   1.320
  519   2HB   SER  80          1HB       SER  80  21.823   0.187  -0.068
  520    HG   SER  80           HG       SER  80  20.370   1.970   1.519
  521    H    ASP  81           H        ASP  81  18.048  -1.291   0.472
  522    HA   ASP  81           HA       ASP  81  18.890  -3.338  -1.442
  523   1HB   ASP  81          2HB       ASP  81  17.264  -3.434   1.081
  524   2HB   ASP  81          1HB       ASP  81  17.298  -4.774  -0.036
  525    H    ILE  82           H        ILE  82  17.094  -0.941  -2.112
  526    HA   ILE  82           HA       ILE  82  14.907  -2.607  -3.075
  527    HB   ILE  82           HB       ILE  82  13.524  -0.613  -3.325
  528   1HG1  ILE  82          2HG1      ILE  82  15.909   0.898  -2.201
  529   2HG1  ILE  82          1HG1      ILE  82  15.252   1.036  -3.827
  530   1HG2  ILE  82          1HG2      ILE  82  13.148  -0.109  -0.972
  531   2HG2  ILE  82          2HG2      ILE  82  14.750  -0.731  -0.579
  532   3HG2  ILE  82          3HG2      ILE  82  13.512  -1.828  -1.192
  533   1HD1  ILE  82          1HD1      ILE  82  14.589   2.929  -2.454
  534   2HD1  ILE  82          2HD1      ILE  82  13.865   1.831  -1.280
  535   3HD1  ILE  82          3HD1      ILE  82  13.181   1.956  -2.888
  536    H    LYS  83           H        LYS  83  14.231  -2.377  -5.196
  537    HA   LYS  83           HA       LYS  83  16.342  -1.537  -7.018
  538   1HB   LYS  83          2HB       LYS  83  13.872  -3.217  -7.396
  539   2HB   LYS  83          1HB       LYS  83  14.774  -2.630  -8.779
  540   1HG   LYS  83          2HG       LYS  83  15.906  -4.374  -6.588
  541   2HG   LYS  83          1HG       LYS  83  15.308  -4.977  -8.140
  542   1HD   LYS  83          2HD       LYS  83  17.014  -3.635  -9.292
  543   2HD   LYS  83          1HD       LYS  83  17.633  -3.074  -7.732
  544   1HE   LYS  83          2HE       LYS  83  18.180  -5.364  -7.126
  545   2HE   LYS  83          1HE       LYS  83  17.509  -5.956  -8.638
  546   1HZ   LYS  83          1HZ       LYS  83  19.215  -4.610  -9.797
  547   2HZ   LYS  83          2HZ       LYS  83  19.863  -5.821  -8.857
  548   3HZ   LYS  83          3HZ       LYS  83  19.895  -4.226  -8.306
  549    H    ASP  84           H        ASP  84  12.801  -1.082  -6.664
  550    HA   ASP  84           HA       ASP  84  13.036   1.680  -7.462
  551   1HB   ASP  84          2HB       ASP  84  13.079   0.242  -9.657
  552   2HB   ASP  84          1HB       ASP  84  11.384  -0.051  -9.326
  553    H    LEU  85           H        LEU  85  10.875   2.733  -7.379
  554    HA   LEU  85           HA       LEU  85   8.734   1.242  -6.306
  555   1HB   LEU  85          2HB       LEU  85   8.545   2.297  -4.144
  556   2HB   LEU  85          1HB       LEU  85  10.073   1.472  -4.268
  557    HG   LEU  85           HG       LEU  85   9.658   4.473  -4.381
  558   1HD1  LEU  85          1HD1      LEU  85   9.253   3.554  -2.176
  559   2HD1  LEU  85          2HD1      LEU  85  10.786   4.436  -2.160
  560   3HD1  LEU  85          3HD1      LEU  85  10.756   2.660  -2.252
  561   1HD2  LEU  85          1HD2      LEU  85  12.142   4.601  -4.223
  562   2HD2  LEU  85          2HD2      LEU  85  11.594   3.808  -5.702
  563   3HD2  LEU  85          3HD2      LEU  85  12.207   2.834  -4.384
  564    H    THR  86           H        THR  86   6.833   2.386  -6.273
  565    HA   THR  86           HA       THR  86   7.033   5.078  -7.341
  566    HB   THR  86           HB       THR  86   6.343   3.663  -9.183
  567    HG1  THR  86           HG1      THR  86   4.800   4.901  -9.804
  568   1HG2  THR  86          1HG2      THR  86   4.258   2.317  -9.106
  569   2HG2  THR  86          2HG2      THR  86   4.091   2.704  -7.402
  570   3HG2  THR  86          3HG2      THR  86   5.473   1.750  -7.963
  571    H    VAL  87           H        VAL  87   5.845   6.571  -6.309
  572    HA   VAL  87           HA       VAL  87   3.962   5.650  -4.293
  573    HB   VAL  87           HB       VAL  87   5.962   6.204  -3.055
  574   1HG1  VAL  87          1HG1      VAL  87   7.057   8.395  -3.166
  575   2HG1  VAL  87          2HG1      VAL  87   5.930   8.902  -4.415
  576   3HG1  VAL  87          3HG1      VAL  87   7.080   7.609  -4.745
  577   1HG2  VAL  87          1HG2      VAL  87   5.148   8.049  -1.627
  578   2HG2  VAL  87          2HG2      VAL  87   3.888   6.879  -2.024
  579   3HG2  VAL  87          3HG2      VAL  87   3.932   8.432  -2.856
  580    H    CYS  88           H        CYS  88   2.055   6.477  -4.454
  581    HA   CYS  88           HA       CYS  88   1.303   9.121  -4.782
  582   1HB   CYS  88          2HB       CYS  88   2.263   8.900  -7.103
  583   2HB   CYS  88          1HB       CYS  88   1.171   7.561  -7.397
  584    HG   CYS  88           HG       CYS  88  -0.974   8.983  -8.002
  585    H    GLU  89           H        GLU  89   0.570   5.782  -5.783
  586    HA   GLU  89           HA       GLU  89  -1.680   5.305  -4.346
  587   1HB   GLU  89          2HB       GLU  89  -3.419   5.573  -6.116
  588   2HB   GLU  89          1HB       GLU  89  -2.722   7.118  -5.675
  589   1HG   GLU  89          2HG       GLU  89  -1.152   6.762  -7.647
  590   2HG   GLU  89          1HG       GLU  89  -2.306   5.518  -8.159
  591    HA   PRO  90           HA       PRO  90  -0.389   1.521  -6.157
  592   1HB   PRO  90          2HB       PRO  90  -2.437  -0.151  -5.804
  593   2HB   PRO  90          1HB       PRO  90  -1.584   0.574  -4.443
  594   1HG   PRO  90          2HG       PRO  90  -4.231   1.270  -5.603
  595   2HG   PRO  90          1HG       PRO  90  -3.703   1.317  -3.908
  596   1HD   PRO  90          2HD       PRO  90  -3.864   3.495  -5.669
  597   2HD   PRO  90          1HD       PRO  90  -3.011   3.476  -4.109
  598    HA   PRO  91           HA       PRO  91  -1.961   1.298 -10.432
  599   1HB   PRO  91          2HB       PRO  91   0.326   0.546 -11.560
  600   2HB   PRO  91          1HB       PRO  91   0.099   2.212 -11.035
  601   1HG   PRO  91          2HG       PRO  91   1.561  -0.010  -9.666
  602   2HG   PRO  91          1HG       PRO  91   2.057   1.690  -9.838
  603   1HD   PRO  91          2HD       PRO  91   0.891   0.640  -7.573
  604   2HD   PRO  91          1HD       PRO  91   0.773   2.346  -8.044
  605    H    LYS  92           H        LYS  92  -1.990  -0.516 -12.005
  606    HA   LYS  92           HA       LYS  92  -2.525  -2.571 -12.638
  607   1HB   LYS  92          2HB       LYS  92  -0.176  -3.160 -12.320
  608   2HB   LYS  92          1HB       LYS  92  -0.446  -3.489 -10.617
  609   1HG   LYS  92          2HG       LYS  92  -1.990  -5.324 -11.225
  610   2HG   LYS  92          1HG       LYS  92  -1.667  -4.999 -12.919
  611   1HD   LYS  92          2HD       LYS  92   0.661  -5.595 -12.620
  612   2HD   LYS  92          1HD       LYS  92   0.407  -5.854 -10.897
  613   1HE   LYS  92          2HE       LYS  92  -1.233  -7.608 -11.392
  614   2HE   LYS  92          1HE       LYS  92  -0.975  -7.369 -13.112
  615   1HZ   LYS  92          1HZ       LYS  92   1.115  -8.236 -11.194
  616   2HZ   LYS  92          2HZ       LYS  92   1.253  -8.141 -12.897
  617   3HZ   LYS  92          3HZ       LYS  92   0.198  -9.242 -12.180
  618    HA   PRO  93           HA       PRO  93  -5.724  -3.199  -9.481
  619   1HB   PRO  93          2HB       PRO  93  -7.354  -3.836 -11.847
  620   2HB   PRO  93          1HB       PRO  93  -7.623  -2.616 -10.604
  621   1HG   PRO  93          2HG       PRO  93  -6.889  -1.977 -13.128
  622   2HG   PRO  93          1HG       PRO  93  -6.399  -1.019 -11.709
  623   1HD   PRO  93          2HD       PRO  93  -4.844  -2.993 -13.308
  624   2HD   PRO  93          1HD       PRO  93  -4.323  -1.453 -12.587
  625    H    ILE  94           H        ILE  94  -6.052  -5.101 -12.447
  626    HA   ILE  94           HA       ILE  94  -5.296  -7.593 -11.125
  627    HB   ILE  94           HB       ILE  94  -7.235  -8.776 -12.192
  628   1HG1  ILE  94          2HG1      ILE  94  -8.374  -5.990 -12.571
  629   2HG1  ILE  94          1HG1      ILE  94  -7.822  -7.078 -13.843
  630   1HG2  ILE  94          1HG2      ILE  94  -8.912  -8.222 -10.476
  631   2HG2  ILE  94          2HG2      ILE  94  -8.019  -6.762 -10.089
  632   3HG2  ILE  94          3HG2      ILE  94  -7.284  -8.339  -9.806
  633   1HD1  ILE  94          1HD1      ILE  94 -10.164  -7.582 -11.987
  634   2HD1  ILE  94          2HD1      ILE  94  -9.605  -8.646 -13.282
  635   3HD1  ILE  94          3HD1      ILE  94 -10.257  -7.069 -13.674
  636    H    MET  95           H        MET  95  -4.424  -5.619 -13.252
  637    HA   MET  95           HA       MET  95  -4.514  -7.326 -15.635
  638   1HB   MET  95          2HB       MET  95  -3.653  -4.435 -15.389
  639   2HB   MET  95          1HB       MET  95  -3.853  -5.342 -16.877
  640   1HG   MET  95          2HG       MET  95  -6.059  -4.614 -14.959
  641   2HG   MET  95          1HG       MET  95  -5.699  -3.783 -16.470
  642   1HE   MET  95          1HE       MET  95  -8.253  -4.049 -17.153
  643   2HE   MET  95          2HE       MET  95  -8.570  -4.884 -15.642
  644   3HE   MET  95          3HE       MET  95  -9.107  -5.590 -17.176
  Start of MODEL    6
    1    HA   PRO  16           HA       PRO  16  -6.495  -4.901   7.199
    2   1HB   PRO  16          2HB       PRO  16  -9.019  -4.332   7.933
    3   2HB   PRO  16          1HB       PRO  16  -8.689  -5.815   7.051
    4   1HG   PRO  16          2HG       PRO  16  -9.489  -5.508   9.868
    5   2HG   PRO  16          1HG       PRO  16  -9.405  -6.980   8.871
    6   1HD   PRO  16          2HD       PRO  16  -7.384  -5.916  10.794
    7   2HD   PRO  16          1HD       PRO  16  -7.586  -7.552  10.094
    8    H    TYR  17           H        TYR  17  -5.282  -2.944   7.834
    9    HA   TYR  17           HA       TYR  17  -6.316  -1.573  10.190
   10   1HB   TYR  17          2HB       TYR  17  -3.485  -1.796   9.239
   11   2HB   TYR  17          1HB       TYR  17  -3.988  -0.452  10.234
   12    HD1  TYR  17           HD1      TYR  17  -4.479  -0.778  12.599
   13    HD2  TYR  17           HD2      TYR  17  -3.357  -4.023  10.106
   14    HE1  TYR  17           HE1      TYR  17  -4.122  -2.178  14.594
   15    HE2  TYR  17           HE2      TYR  17  -2.976  -5.438  12.090
   16    HH   TYR  17           HH       TYR  17  -2.521  -5.190  14.472
   17    H    ILE  18           H        ILE  18  -4.003  -0.335   7.840
   18    HA   ILE  18           HA       ILE  18  -5.382   1.369   6.296
   19    HB   ILE  18           HB       ILE  18  -6.387   2.322   8.430
   20   1HG1  ILE  18          2HG1      ILE  18  -5.977   4.725   7.898
   21   2HG1  ILE  18          1HG1      ILE  18  -4.611   4.256   6.902
   22   1HG2  ILE  18          1HG2      ILE  18  -4.499   2.039   9.943
   23   2HG2  ILE  18          2HG2      ILE  18  -4.950   3.748   9.894
   24   3HG2  ILE  18          3HG2      ILE  18  -3.550   3.167   8.986
   25   1HD1  ILE  18          1HD1      ILE  18  -6.577   4.791   5.583
   26   2HD1  ILE  18          2HD1      ILE  18  -7.488   3.502   6.388
   27   3HD1  ILE  18          3HD1      ILE  18  -6.100   3.110   5.369
   28    H    GLY  19           H        GLY  19  -3.832   2.900   5.301
   29   1HA   GLY  19          2HA       GLY  19  -1.395   3.647   6.379
   30   2HA   GLY  19          1HA       GLY  19  -1.145   2.186   5.425
   31    H    SER  20           H        SER  20   0.176   4.104   4.335
   32    HA   SER  20           HA       SER  20  -1.588   5.411   2.423
   33   1HB   SER  20          2HB       SER  20   0.180   6.777   3.574
   34   2HB   SER  20          1HB       SER  20   1.407   5.794   2.764
   35    HG   SER  20           HG       SER  20  -0.520   6.824   1.094
   36    H    LYS  21           H        LYS  21  -1.748   4.733   0.447
   37    HA   LYS  21           HA       LYS  21  -0.930   2.080  -0.173
   38   1HB   LYS  21          2HB       LYS  21  -2.417   4.120  -1.766
   39   2HB   LYS  21          1HB       LYS  21  -2.207   2.427  -2.219
   40   1HG   LYS  21          2HG       LYS  21  -3.249   1.722  -0.136
   41   2HG   LYS  21          1HG       LYS  21  -3.493   3.410   0.310
   42   1HD   LYS  21          2HD       LYS  21  -4.453   2.084  -2.094
   43   2HD   LYS  21          1HD       LYS  21  -5.498   2.213  -0.662
   44   1HE   LYS  21          2HE       LYS  21  -5.115   4.776  -0.874
   45   2HE   LYS  21          1HE       LYS  21  -4.468   4.440  -2.478
   46   1HZ   LYS  21          1HZ       LYS  21  -6.806   5.060  -2.649
   47   2HZ   LYS  21          2HZ       LYS  21  -7.215   3.868  -1.524
   48   3HZ   LYS  21          3HZ       LYS  21  -6.668   3.403  -3.022
   49    H    ILE  22           H        ILE  22   0.829   1.378  -1.105
   50    HA   ILE  22           HA       ILE  22   2.162   2.850  -3.207
   51    HB   ILE  22           HB       ILE  22   3.249   3.834  -1.250
   52   1HG1  ILE  22          2HG1      ILE  22   5.105   1.746  -2.404
   53   2HG1  ILE  22          1HG1      ILE  22   4.774   3.272  -3.208
   54   1HG2  ILE  22          1HG2      ILE  22   4.477   2.454   0.357
   55   2HG2  ILE  22          2HG2      ILE  22   3.785   1.018  -0.404
   56   3HG2  ILE  22          3HG2      ILE  22   2.726   2.205   0.390
   57   1HD1  ILE  22          1HD1      ILE  22   5.797   4.423  -1.271
   58   2HD1  ILE  22          2HD1      ILE  22   6.892   3.368  -2.137
   59   3HD1  ILE  22          3HD1      ILE  22   6.200   2.842  -0.586
   60    H    SER  23           H        SER  23   3.550   1.533  -4.413
   61    HA   SER  23           HA       SER  23   3.614  -1.327  -3.754
   62   1HB   SER  23          2HB       SER  23   3.867   0.032  -6.460
   63   2HB   SER  23          1HB       SER  23   3.782  -1.709  -6.147
   64    HG   SER  23           HG       SER  23   1.687  -1.518  -6.211
   65    H    LEU  24           H        LEU  24   5.704  -2.290  -3.905
   66    HA   LEU  24           HA       LEU  24   7.938  -0.550  -4.540
   67   1HB   LEU  24          2HB       LEU  24   7.552   0.033  -2.305
   68   2HB   LEU  24          1HB       LEU  24   7.552  -1.647  -1.804
   69    HG   LEU  24           HG       LEU  24   9.939  -1.813  -2.146
   70   1HD1  LEU  24          1HD1      LEU  24  11.254   0.053  -2.869
   71   2HD1  LEU  24          2HD1      LEU  24   9.819   1.047  -3.165
   72   3HD1  LEU  24          3HD1      LEU  24  10.140  -0.394  -4.151
   73   1HD2  LEU  24          1HD2      LEU  24   9.088  -0.901  -0.141
   74   2HD2  LEU  24          2HD2      LEU  24   9.072   0.686  -0.930
   75   3HD2  LEU  24          3HD2      LEU  24  10.637  -0.119  -0.595
   76    H    ILE  25           H        ILE  25   9.720  -1.656  -5.639
   77    HA   ILE  25           HA       ILE  25   9.676  -4.528  -5.305
   78    HB   ILE  25           HB       ILE  25  11.400  -2.838  -7.174
   79   1HG1  ILE  25          2HG1      ILE  25   8.976  -4.547  -7.750
   80   2HG1  ILE  25          1HG1      ILE  25   8.951  -2.798  -7.722
   81   1HG2  ILE  25          1HG2      ILE  25  10.915  -5.841  -7.034
   82   2HG2  ILE  25          2HG2      ILE  25  12.346  -5.037  -6.448
   83   3HG2  ILE  25          3HG2      ILE  25  11.982  -5.012  -8.182
   84   1HD1  ILE  25          1HD1      ILE  25  10.538  -2.758  -9.585
   85   2HD1  ILE  25          2HD1      ILE  25   9.041  -3.599  -9.996
   86   3HD1  ILE  25          3HD1      ILE  25  10.504  -4.523  -9.643
   87    H    SER  26           H        SER  26  10.920  -5.414  -3.891
   88    HA   SER  26           HA       SER  26  13.101  -3.972  -2.628
   89   1HB   SER  26          2HB       SER  26  13.141  -5.955  -1.120
   90   2HB   SER  26          1HB       SER  26  11.547  -5.201  -1.196
   91    HG   SER  26           HG       SER  26  10.778  -6.873  -2.255
   92    H    LYS  27           H        LYS  27  15.240  -5.180  -2.314
   93    HA   LYS  27           HA       LYS  27  16.503  -5.822  -4.634
   94   1HB   LYS  27          2HB       LYS  27  18.295  -7.000  -3.299
   95   2HB   LYS  27          1HB       LYS  27  17.931  -5.352  -2.851
   96   1HG   LYS  27          2HG       LYS  27  18.343  -6.789  -0.892
   97   2HG   LYS  27          1HG       LYS  27  16.703  -6.143  -0.885
   98   1HD   LYS  27          2HD       LYS  27  15.882  -8.283  -1.719
   99   2HD   LYS  27          1HD       LYS  27  17.534  -8.913  -1.736
  100   1HE   LYS  27          2HE       LYS  27  16.314  -9.647   0.301
  101   2HE   LYS  27          1HE       LYS  27  17.700  -8.639   0.701
  102   1HZ   LYS  27          1HZ       LYS  27  14.849  -7.729   0.650
  103   2HZ   LYS  27          2HZ       LYS  27  16.149  -6.750   0.969
  104   3HZ   LYS  27          3HZ       LYS  27  15.789  -7.992   2.019
  105    H    ALA  28           H        ALA  28  14.384  -7.957  -3.097
  106    HA   ALA  28           HA       ALA  28  15.512 -10.381  -4.073
  107   1HB   ALA  28          1HB       ALA  28  12.728  -9.764  -3.085
  108   2HB   ALA  28          2HB       ALA  28  14.076 -10.349  -2.093
  109   3HB   ALA  28          3HB       ALA  28  13.386 -11.375  -3.352
  110    H    GLU  29           H        GLU  29  14.110  -7.816  -5.565
  111    HA   GLU  29           HA       GLU  29  13.567  -7.362  -7.691
  112   1HB   GLU  29          2HB       GLU  29  15.208  -9.177  -8.245
  113   2HB   GLU  29          1HB       GLU  29  13.920 -10.349  -8.173
  114   1HG   GLU  29          2HG       GLU  29  12.879  -9.370 -10.120
  115   2HG   GLU  29          1HG       GLU  29  14.092  -8.096 -10.174
  116    H    ILE  30           H        ILE  30  11.888  -8.135  -5.514
  117    HA   ILE  30           HA       ILE  30   9.497  -9.213  -6.878
  118    HB   ILE  30           HB       ILE  30  10.060  -9.190  -3.902
  119   1HG1  ILE  30          2HG1      ILE  30  10.123 -11.481  -5.893
  120   2HG1  ILE  30          1HG1      ILE  30  11.507 -10.768  -5.058
  121   1HG2  ILE  30          1HG2      ILE  30   7.802 -10.411  -5.479
  122   2HG2  ILE  30          2HG2      ILE  30   7.724  -9.004  -4.422
  123   3HG2  ILE  30          3HG2      ILE  30   8.052 -10.594  -3.727
  124   1HD1  ILE  30          1HD1      ILE  30   9.231 -12.236  -3.728
  125   2HD1  ILE  30          2HD1      ILE  30  10.664 -11.574  -2.932
  126   3HD1  ILE  30          3HD1      ILE  30  10.824 -12.904  -4.081
  127    H    ARG  31           H        ARG  31   7.800  -7.960  -7.130
  128    HA   ARG  31           HA       ARG  31   7.757  -5.318  -5.910
  129   1HB   ARG  31          2HB       ARG  31   5.961  -4.789  -7.543
  130   2HB   ARG  31          1HB       ARG  31   7.360  -5.441  -8.360
  131   1HG   ARG  31          2HG       ARG  31   6.258  -7.634  -8.521
  132   2HG   ARG  31          1HG       ARG  31   4.850  -6.977  -7.720
  133   1HD   ARG  31          2HD       ARG  31   4.626  -5.305  -9.568
  134   2HD   ARG  31          1HD       ARG  31   5.964  -6.088 -10.393
  135    HE   ARG  31           HE       ARG  31   3.909  -7.945  -9.735
  136   1HH1  ARG  31          1HH1      ARG  31   4.853  -5.545 -12.232
  137   2HH1  ARG  31          2HH1      ARG  31   3.758  -6.159 -13.375
  138   1HH2  ARG  31          1HH2      ARG  31   2.446  -8.744 -11.371
  139   2HH2  ARG  31          2HH2      ARG  31   2.366  -7.992 -12.903
  140    H    TYR  32           H        TYR  32   6.680  -4.977  -4.087
  141    HA   TYR  32           HA       TYR  32   4.401  -6.715  -3.433
  142   1HB   TYR  32          2HB       TYR  32   6.127  -4.982  -1.649
  143   2HB   TYR  32          1HB       TYR  32   4.713  -5.873  -1.103
  144    HD1  TYR  32           HD1      TYR  32   8.239  -6.033  -1.838
  145    HD2  TYR  32           HD2      TYR  32   4.744  -8.386  -1.203
  146    HE1  TYR  32           HE1      TYR  32   9.647  -8.002  -1.406
  147    HE2  TYR  32           HE2      TYR  32   6.148 -10.358  -0.781
  148    HH   TYR  32           HH       TYR  32   8.392 -11.171  -1.255
  149    H    GLU  33           H        GLU  33   2.456  -5.540  -2.336
  150    HA   GLU  33           HA       GLU  33   2.358  -2.779  -3.123
  151   1HB   GLU  33          2HB       GLU  33   1.555  -4.166  -5.046
  152   2HB   GLU  33          1HB       GLU  33   0.339  -4.863  -3.994
  153   1HG   GLU  33          2HG       GLU  33  -0.721  -2.729  -3.740
  154   2HG   GLU  33          1HG       GLU  33   0.543  -1.950  -4.712
  155    H    GLY  34           H        GLY  34   1.343  -1.705  -1.556
  156   1HA   GLY  34          2HA       GLY  34  -0.747  -2.562   0.122
  157   2HA   GLY  34          1HA       GLY  34   0.739  -2.971   0.878
  158    H    ILE  35           H        ILE  35   1.193  -1.526   2.418
  159    HA   ILE  35           HA       ILE  35   0.870   1.050   1.433
  160    HB   ILE  35           HB       ILE  35  -0.041   1.681   3.686
  161   1HG1  ILE  35          2HG1      ILE  35   0.071  -1.250   3.882
  162   2HG1  ILE  35          1HG1      ILE  35   0.220   0.004   5.116
  163   1HG2  ILE  35          1HG2      ILE  35  -1.686  -0.035   1.808
  164   2HG2  ILE  35          2HG2      ILE  35  -1.462   1.718   1.704
  165   3HG2  ILE  35          3HG2      ILE  35  -2.370   1.026   3.036
  166   1HD1  ILE  35          1HD1      ILE  35  -1.770  -1.346   5.505
  167   2HD1  ILE  35          2HD1      ILE  35  -2.168  -1.093   3.833
  168   3HD1  ILE  35          3HD1      ILE  35  -2.290   0.293   4.962
  169    H    LEU  36           H        LEU  36   1.882   2.614   2.841
  170    HA   LEU  36           HA       LEU  36   4.470   1.733   3.936
  171   1HB   LEU  36          2HB       LEU  36   4.490   3.401   2.082
  172   2HB   LEU  36          1HB       LEU  36   3.505   4.473   3.037
  173    HG   LEU  36           HG       LEU  36   5.920   5.119   2.776
  174   1HD1  LEU  36          1HD1      LEU  36   4.970   4.688   5.593
  175   2HD1  LEU  36          2HD1      LEU  36   4.646   6.092   4.574
  176   3HD1  LEU  36          3HD1      LEU  36   6.290   5.754   5.111
  177   1HD2  LEU  36          1HD2      LEU  36   6.378   2.768   4.589
  178   2HD2  LEU  36          2HD2      LEU  36   7.587   3.970   4.144
  179   3HD2  LEU  36          3HD2      LEU  36   6.902   2.902   2.913
  180    H    TYR  37           H        TYR  37   5.090   2.166   6.061
  181    HA   TYR  37           HA       TYR  37   2.967   3.212   7.788
  182   1HB   TYR  37          2HB       TYR  37   3.616   0.909   8.284
  183   2HB   TYR  37          1HB       TYR  37   5.307   1.388   8.442
  184    HD1  TYR  37           HD1      TYR  37   1.951   2.108   9.914
  185    HD2  TYR  37           HD2      TYR  37   6.137   1.792  10.572
  186    HE1  TYR  37           HE1      TYR  37   1.595   2.476  12.335
  187    HE2  TYR  37           HE2      TYR  37   5.797   2.161  12.979
  188    HH   TYR  37           HH       TYR  37   2.722   2.068  14.461
  189    H    THR  38           H        THR  38   6.602   3.280   7.521
  190    HA   THR  38           HA       THR  38   6.618   6.092   8.175
  191    HB   THR  38           HB       THR  38   7.993   4.091  10.034
  192    HG1  THR  38           HG1      THR  38   5.528   5.188  10.047
  193   1HG2  THR  38          1HG2      THR  38   9.287   6.188   9.816
  194   2HG2  THR  38          2HG2      THR  38   8.585   6.042  11.421
  195   3HG2  THR  38          3HG2      THR  38   7.835   7.110  10.214
  196    H    ILE  39           H        ILE  39   8.781   7.083   7.751
  197    HA   ILE  39           HA       ILE  39  10.632   5.355   6.218
  198    HB   ILE  39           HB       ILE  39   9.675   8.126   5.474
  199   1HG1  ILE  39          2HG1      ILE  39   9.445   5.533   3.997
  200   2HG1  ILE  39          1HG1      ILE  39   8.123   6.291   4.865
  201   1HG2  ILE  39          1HG2      ILE  39  12.029   7.977   4.984
  202   2HG2  ILE  39          2HG2      ILE  39  11.137   7.945   3.469
  203   3HG2  ILE  39          3HG2      ILE  39  11.802   6.449   4.137
  204   1HD1  ILE  39          1HD1      ILE  39   7.975   6.747   2.457
  205   2HD1  ILE  39          2HD1      ILE  39   9.613   7.452   2.536
  206   3HD1  ILE  39          3HD1      ILE  39   8.293   8.235   3.381
  207    H    ASP  40           H        ASP  40  12.748   5.734   6.507
  208    HA   ASP  40           HA       ASP  40  13.543   7.978   8.189
  209   1HB   ASP  40          2HB       ASP  40  14.242   6.062   9.334
  210   2HB   ASP  40          1HB       ASP  40  14.629   5.214   7.837
  211    H    THR  41           H        THR  41  14.361   9.537   7.086
  212    HA   THR  41           HA       THR  41  15.359   9.288   4.440
  213    HB   THR  41           HB       THR  41  15.433  11.676   6.324
  214    HG1  THR  41           HG1      THR  41  13.557  11.057   4.290
  215   1HG2  THR  41          1HG2      THR  41  15.504  11.561   3.282
  216   2HG2  THR  41          2HG2      THR  41  16.897  11.906   4.303
  217   3HG2  THR  41          3HG2      THR  41  15.535  13.022   4.268
  218    H    GLU  42           H        GLU  42  16.971   8.945   7.544
  219    HA   GLU  42           HA       GLU  42  19.525   9.996   6.802
  220   1HB   GLU  42          2HB       GLU  42  18.839   9.848   9.146
  221   2HB   GLU  42          1HB       GLU  42  18.674   8.113   9.013
  222   1HG   GLU  42          2HG       GLU  42  20.695   8.699  10.232
  223   2HG   GLU  42          1HG       GLU  42  21.089   7.900   8.722
  224    H    ASN  43           H        ASN  43  18.381   6.613   7.171
  225    HA   ASN  43           HA       ASN  43  20.635   5.812   5.434
  226   1HB   ASN  43          2HB       ASN  43  18.936   4.146   7.310
  227   2HB   ASN  43          1HB       ASN  43  20.220   3.517   6.265
  228   1HD2  ASN  43          1HD2      ASN  43  21.821   6.016   6.918
  229   2HD2  ASN  43          2HD2      ASN  43  22.461   5.721   8.488
  230    H    SER  44           H        SER  44  17.697   6.820   5.094
  231    HA   SER  44           HA       SER  44  16.173   6.732   3.426
  232   1HB   SER  44          2HB       SER  44  18.217   6.699   1.933
  233   2HB   SER  44          1HB       SER  44  18.185   4.938   2.020
  234    HG   SER  44           HG       SER  44  15.977   5.170   1.211
  235    H    THR  45           H        THR  45  16.228   4.791   5.625
  236    HA   THR  45           HA       THR  45  15.500   2.307   4.451
  237    HB   THR  45           HB       THR  45  15.110   1.494   6.719
  238    HG1  THR  45           HG1      THR  45  16.121   4.065   7.644
  239   1HG2  THR  45          1HG2      THR  45  17.236   1.226   5.762
  240   2HG2  THR  45          2HG2      THR  45  17.464   1.606   7.477
  241   3HG2  THR  45          3HG2      THR  45  17.754   2.838   6.242
  242    H    VAL  46           H        VAL  46  13.565   1.325   4.487
  243    HA   VAL  46           HA       VAL  46  11.304   3.141   4.766
  244    HB   VAL  46           HB       VAL  46  11.718   0.911   2.751
  245   1HG1  VAL  46          1HG1      VAL  46   9.326   2.709   3.136
  246   2HG1  VAL  46          2HG1      VAL  46   9.387   0.971   3.431
  247   3HG1  VAL  46          3HG1      VAL  46   9.563   1.594   1.789
  248   1HG2  VAL  46          1HG2      VAL  46  11.514   3.904   2.402
  249   2HG2  VAL  46          2HG2      VAL  46  11.555   2.751   1.097
  250   3HG2  VAL  46          3HG2      VAL  46  12.955   2.919   2.172
  251    H    ALA  47           H        ALA  47   9.799   2.514   6.223
  252    HA   ALA  47           HA       ALA  47   9.879  -0.233   7.151
  253   1HB   ALA  47          1HB       ALA  47   9.969   1.522   8.864
  254   2HB   ALA  47          2HB       ALA  47   8.500   0.568   9.006
  255   3HB   ALA  47          3HB       ALA  47   8.438   2.176   8.280
  256    H    LEU  48           H        LEU  48   8.735  -1.460   5.770
  257    HA   LEU  48           HA       LEU  48   6.238  -0.385   4.697
  258   1HB   LEU  48          2HB       LEU  48   8.205  -1.388   3.290
  259   2HB   LEU  48          1HB       LEU  48   7.619  -2.930   3.914
  260    HG   LEU  48           HG       LEU  48   6.099  -1.009   2.105
  261   1HD1  LEU  48          1HD1      LEU  48   6.241  -2.763   0.439
  262   2HD1  LEU  48          2HD1      LEU  48   7.219  -3.720   1.546
  263   3HD1  LEU  48          3HD1      LEU  48   7.829  -2.174   0.941
  264   1HD2  LEU  48          1HD2      LEU  48   5.256  -3.703   3.137
  265   2HD2  LEU  48          2HD2      LEU  48   4.352  -2.715   1.976
  266   3HD2  LEU  48          3HD2      LEU  48   4.570  -2.164   3.639
  267    H    ALA  49           H        ALA  49   4.411  -1.241   5.521
  268    HA   ALA  49           HA       ALA  49   4.345  -3.786   6.945
  269   1HB   ALA  49          1HB       ALA  49   3.483  -2.654   8.896
  270   2HB   ALA  49          2HB       ALA  49   3.997  -1.090   8.233
  271   3HB   ALA  49          3HB       ALA  49   5.194  -2.355   8.597
  272    H    LYS  50           H        LYS  50   2.163  -4.400   7.276
  273    HA   LYS  50           HA       LYS  50  -0.012  -4.426   7.011
  274   1HB   LYS  50          2HB       LYS  50   0.043  -1.431   6.528
  275   2HB   LYS  50          1HB       LYS  50  -1.302  -2.408   7.122
  276   1HG   LYS  50          2HG       LYS  50   0.033  -2.837   9.194
  277   2HG   LYS  50          1HG       LYS  50   1.253  -1.766   8.486
  278   1HD   LYS  50          2HD       LYS  50  -0.396   0.071   8.462
  279   2HD   LYS  50          1HD       LYS  50  -1.567  -0.995   9.224
  280   1HE   LYS  50          2HE       LYS  50   1.054  -0.074  10.406
  281   2HE   LYS  50          1HE       LYS  50  -0.575   0.403  10.894
  282   1HZ   LYS  50          1HZ       LYS  50  -0.955  -1.963  11.602
  283   2HZ   LYS  50          2HZ       LYS  50   0.441  -1.282  12.343
  284   3HZ   LYS  50          3HZ       LYS  50   0.637  -2.290  11.125
  285    H    VAL  51           H        VAL  51   1.976  -4.487   4.905
  286    HA   VAL  51           HA       VAL  51   1.035  -3.417   2.555
  287    HB   VAL  51           HB       VAL  51   3.318  -4.250   2.950
  288   1HG1  VAL  51          1HG1      VAL  51   2.855  -6.231   4.152
  289   2HG1  VAL  51          2HG1      VAL  51   3.921  -6.573   2.802
  290   3HG1  VAL  51          3HG1      VAL  51   2.203  -7.023   2.711
  291   1HG2  VAL  51          1HG2      VAL  51   2.046  -5.503   0.519
  292   2HG2  VAL  51          2HG2      VAL  51   3.784  -5.317   0.758
  293   3HG2  VAL  51          3HG2      VAL  51   2.756  -3.883   0.641
  294    H    ARG  52           H        ARG  52   0.197  -5.074   0.674
  295    HA   ARG  52           HA       ARG  52  -2.099  -6.184   1.818
  296   1HB   ARG  52          2HB       ARG  52  -2.232  -5.196  -0.378
  297   2HB   ARG  52          1HB       ARG  52  -1.170  -6.437  -1.024
  298   1HG   ARG  52          2HG       ARG  52  -2.871  -8.152  -0.540
  299   2HG   ARG  52          1HG       ARG  52  -3.913  -6.877   0.106
  300   1HD   ARG  52          2HD       ARG  52  -4.521  -7.448  -2.165
  301   2HD   ARG  52          1HD       ARG  52  -3.956  -5.790  -2.052
  302    HE   ARG  52           HE       ARG  52  -2.202  -7.965  -2.860
  303   1HH1  ARG  52          1HH1      ARG  52  -3.646  -4.803  -3.484
  304   2HH1  ARG  52          2HH1      ARG  52  -2.705  -4.454  -4.856
  305   1HH2  ARG  52          1HH2      ARG  52  -0.911  -7.510  -4.852
  306   2HH2  ARG  52          2HH2      ARG  52  -1.177  -6.049  -5.661
  307    H    SER  53           H        SER  53  -1.920  -7.911   3.103
  308    HA   SER  53           HA       SER  53  -0.705 -10.382   2.159
  309   1HB   SER  53          2HB       SER  53  -0.346  -9.702   4.540
  310   2HB   SER  53          1HB       SER  53  -2.097  -9.716   4.800
  311    HG   SER  53           HG       SER  53  -1.251 -11.699   5.539
  312    H    PHE  54           H        PHE  54  -2.479 -12.219   3.162
  313    HA   PHE  54           HA       PHE  54  -4.710 -11.684   1.325
  314   1HB   PHE  54          2HB       PHE  54  -3.117 -13.460   0.608
  315   2HB   PHE  54          1HB       PHE  54  -3.532 -14.394   2.038
  316    HD1  PHE  54           HD1      PHE  54  -4.913 -12.918  -1.065
  317    HD2  PHE  54           HD2      PHE  54  -5.372 -15.862   1.974
  318    HE1  PHE  54           HE1      PHE  54  -6.728 -13.970  -2.369
  319    HE2  PHE  54           HE2      PHE  54  -7.173 -16.914   0.692
  320    HZ   PHE  54           HZ       PHE  54  -7.857 -15.971  -1.487
  321    H    GLY  55           H        GLY  55  -4.088 -12.041   4.711
  322   1HA   GLY  55          2HA       GLY  55  -5.756 -11.949   6.229
  323   2HA   GLY  55          1HA       GLY  55  -6.840 -12.751   5.080
  324    H    THR  56           H        THR  56  -6.213 -13.417   7.797
  325    HA   THR  56           HA       THR  56  -5.805 -15.007   9.127
  326    HB   THR  56           HB       THR  56  -6.024 -17.426   8.441
  327    HG1  THR  56           HG1      THR  56  -5.436 -16.393   6.011
  328   1HG2  THR  56          1HG2      THR  56  -8.313 -17.290   7.596
  329   2HG2  THR  56          2HG2      THR  56  -8.052 -15.582   7.215
  330   3HG2  THR  56          3HG2      THR  56  -7.982 -16.139   8.892
  331    H    GLU  57           H        GLU  57  -3.995 -14.835  10.073
  332    HA   GLU  57           HA       GLU  57  -1.572 -15.318   8.553
  333   1HB   GLU  57          2HB       GLU  57  -1.814 -13.982  11.238
  334   2HB   GLU  57          1HB       GLU  57  -0.420 -13.948  10.170
  335   1HG   GLU  57          2HG       GLU  57  -3.096 -12.608   9.718
  336   2HG   GLU  57          1HG       GLU  57  -1.583 -11.835  10.157
  337    H    ASP  58           H        ASP  58  -3.380 -17.346   9.951
  338    HA   ASP  58           HA       ASP  58  -1.711 -19.397  10.507
  339   1HB   ASP  58          2HB       ASP  58  -0.806 -18.194  12.518
  340   2HB   ASP  58          1HB       ASP  58  -2.435 -18.101  13.152
  341    H    ARG  59           H        ARG  59  -4.459 -18.084  12.326
  342    HA   ARG  59           HA       ARG  59  -5.829 -20.642  12.012
  343   1HB   ARG  59          2HB       ARG  59  -6.774 -18.260  13.612
  344   2HB   ARG  59          1HB       ARG  59  -7.235 -19.915  13.766
  345   1HG   ARG  59          2HG       ARG  59  -5.040 -20.610  14.538
  346   2HG   ARG  59          1HG       ARG  59  -4.468 -18.949  14.393
  347   1HD   ARG  59          2HD       ARG  59  -4.937 -19.445  16.721
  348   2HD   ARG  59          1HD       ARG  59  -6.139 -18.302  16.089
  349    HE   ARG  59           HE       ARG  59  -7.313 -20.677  15.752
  350   1HH1  ARG  59          1HH1      ARG  59  -5.790 -19.126  18.507
  351   2HH1  ARG  59          2HH1      ARG  59  -6.764 -19.848  19.699
  352   1HH2  ARG  59          1HH2      ARG  59  -8.715 -21.710  17.374
  353   2HH2  ARG  59          2HH2      ARG  59  -8.488 -21.353  19.025
  354    HA   PRO  60           HA       PRO  60  -8.699 -19.012   8.978
  355   1HB   PRO  60          2HB       PRO  60 -11.016 -20.191   9.734
  356   2HB   PRO  60          1HB       PRO  60  -9.711 -21.116   8.989
  357   1HG   PRO  60          2HG       PRO  60 -10.404 -20.788  11.885
  358   2HG   PRO  60          1HG       PRO  60 -10.017 -22.274  10.985
  359   1HD   PRO  60          2HD       PRO  60  -8.188 -21.095  12.508
  360   2HD   PRO  60          1HD       PRO  60  -7.749 -21.827  10.950
  361    H    THR  61           H        THR  61  -8.232 -17.165  11.149
  362    HA   THR  61           HA       THR  61  -9.011 -15.212  11.937
  363    HB   THR  61           HB       THR  61 -11.580 -15.873  10.614
  364    HG1  THR  61           HG1      THR  61  -9.564 -15.809   9.313
  365   1HG2  THR  61          1HG2      THR  61 -10.356 -13.279  11.502
  366   2HG2  THR  61          2HG2      THR  61 -11.861 -14.039  12.053
  367   3HG2  THR  61          3HG2      THR  61 -11.723 -13.400  10.411
  368    H    ASP  62           H        ASP  62  -9.215 -15.208  14.095
  369    HA   ASP  62           HA       ASP  62 -11.391 -16.681  15.403
  370   1HB   ASP  62          2HB       ASP  62  -9.057 -15.151  16.571
  371   2HB   ASP  62          1HB       ASP  62 -10.173 -16.165  17.477
  372    H    ARG  63           H        ARG  63 -11.166 -13.885  13.982
  373    HA   ARG  63           HA       ARG  63 -13.193 -12.493  15.414
  374   1HB   ARG  63          2HB       ARG  63 -11.198 -11.859  16.784
  375   2HB   ARG  63          1HB       ARG  63 -10.393 -11.298  15.339
  376   1HG   ARG  63          2HG       ARG  63 -11.172  -9.389  16.574
  377   2HG   ARG  63          1HG       ARG  63 -12.125  -9.521  15.103
  378   1HD   ARG  63          2HD       ARG  63 -13.042 -10.595  17.762
  379   2HD   ARG  63          1HD       ARG  63 -13.376  -8.943  17.229
  380    HE   ARG  63           HE       ARG  63 -14.426 -10.202  15.240
  381   1HH1  ARG  63          1HH1      ARG  63 -14.514 -11.337  18.609
  382   2HH1  ARG  63          2HH1      ARG  63 -16.069 -12.023  18.448
  383   1HH2  ARG  63          1HH2      ARG  63 -16.563 -11.141  15.073
  384   2HH2  ARG  63          2HH2      ARG  63 -17.269 -11.927  16.413
  385    HA   PRO  64           HA       PRO  64 -13.466 -12.685  10.865
  386   1HB   PRO  64          2HB       PRO  64 -15.674 -10.979  11.968
  387   2HB   PRO  64          1HB       PRO  64 -15.693 -12.000  10.508
  388   1HG   PRO  64          2HG       PRO  64 -16.580 -13.111  12.733
  389   2HG   PRO  64          1HG       PRO  64 -15.421 -13.981  11.737
  390   1HD   PRO  64          2HD       PRO  64 -14.967 -12.608  14.335
  391   2HD   PRO  64          1HD       PRO  64 -14.140 -14.041  13.684
  392    H    ILE  65           H        ILE  65 -12.287 -11.719   9.604
  393    HA   ILE  65           HA       ILE  65 -11.259  -9.104  10.125
  394    HB   ILE  65           HB       ILE  65  -9.696  -9.597   8.276
  395   1HG1  ILE  65          2HG1      ILE  65 -11.000 -12.332   8.336
  396   2HG1  ILE  65          1HG1      ILE  65 -11.070 -11.171   7.011
  397   1HG2  ILE  65          1HG2      ILE  65  -9.780 -11.529  10.573
  398   2HG2  ILE  65          2HG2      ILE  65  -8.985  -9.954  10.522
  399   3HG2  ILE  65          3HG2      ILE  65  -8.398 -11.277   9.515
  400   1HD1  ILE  65          1HD1      ILE  65  -8.632 -12.589   8.031
  401   2HD1  ILE  65          2HD1      ILE  65  -8.641 -11.383   6.754
  402   3HD1  ILE  65          3HD1      ILE  65  -9.487 -12.925   6.519
  403    H    ALA  66           H        ALA  66 -11.005  -7.647   8.594
  404    HA   ALA  66           HA       ALA  66 -13.430  -7.102   7.081
  405   1HB   ALA  66          1HB       ALA  66 -12.430  -5.293   8.386
  406   2HB   ALA  66          2HB       ALA  66 -12.302  -4.847   6.673
  407   3HB   ALA  66          3HB       ALA  66 -10.911  -5.489   7.529
  408    HA   PRO  67           HA       PRO  67 -12.424  -7.985   2.821
  409   1HB   PRO  67          2HB       PRO  67 -11.560  -5.375   1.960
  410   2HB   PRO  67          1HB       PRO  67 -13.081  -6.188   1.611
  411   1HG   PRO  67          2HG       PRO  67 -12.414  -4.271   3.779
  412   2HG   PRO  67          1HG       PRO  67 -13.984  -4.545   2.967
  413   1HD   PRO  67          2HD       PRO  67 -13.662  -5.398   5.453
  414   2HD   PRO  67          1HD       PRO  67 -14.408  -6.468   4.249
  415    H    ARG  68           H        ARG  68 -10.868  -9.140   2.497
  416    HA   ARG  68           HA       ARG  68  -8.314  -9.194   3.451
  417   1HB   ARG  68          2HB       ARG  68  -7.816 -10.808   1.652
  418   2HB   ARG  68          1HB       ARG  68  -9.331 -11.125   2.484
  419   1HG   ARG  68          2HG       ARG  68 -10.559 -10.075   0.634
  420   2HG   ARG  68          1HG       ARG  68  -9.032  -9.780  -0.193
  421   1HD   ARG  68          2HD       ARG  68  -8.644 -12.230  -0.258
  422   2HD   ARG  68          1HD       ARG  68 -10.208 -12.457   0.523
  423    HE   ARG  68           HE       ARG  68 -10.607 -10.892  -1.737
  424   1HH1  ARG  68          1HH1      ARG  68  -9.774 -14.233  -0.921
  425   2HH1  ARG  68          2HH1      ARG  68 -10.313 -14.848  -2.414
  426   1HH2  ARG  68          1HH2      ARG  68 -11.394 -11.811  -3.791
  427   2HH2  ARG  68          2HH2      ARG  68 -11.218 -13.497  -4.039
  428    H    ASP  69           H        ASP  69  -6.924  -7.744   3.466
  429    HA   ASP  69           HA       ASP  69  -5.225  -7.252   1.377
  430   1HB   ASP  69          2HB       ASP  69  -7.300  -5.623   0.885
  431   2HB   ASP  69          1HB       ASP  69  -6.726  -4.752   2.286
  432    H    GLU  70           H        GLU  70  -3.997  -5.014   2.603
  433    HA   GLU  70           HA       GLU  70  -2.877  -4.232   4.477
  434   1HB   GLU  70          2HB       GLU  70  -5.263  -5.459   5.777
  435   2HB   GLU  70          1HB       GLU  70  -4.091  -4.490   6.662
  436   1HG   GLU  70          2HG       GLU  70  -5.573  -3.413   4.280
  437   2HG   GLU  70          1HG       GLU  70  -6.306  -3.396   5.877
  438    H    THR  71           H        THR  71  -1.953  -4.964   6.754
  439    HA   THR  71           HA       THR  71  -1.881  -7.594   7.645
  440    HB   THR  71           HB       THR  71  -0.428  -7.887   5.501
  441    HG1  THR  71           HG1      THR  71  -0.175  -9.530   7.086
  442   1HG2  THR  71          1HG2      THR  71   1.945  -7.315   5.701
  443   2HG2  THR  71          2HG2      THR  71   1.616  -6.466   7.205
  444   3HG2  THR  71          3HG2      THR  71   0.925  -5.886   5.688
  445    H    PHE  72           H        PHE  72   0.575  -7.750   8.867
  446    HA   PHE  72           HA       PHE  72   0.369  -5.682  10.927
  447   1HB   PHE  72          2HB       PHE  72   1.860  -7.099  12.251
  448   2HB   PHE  72          1HB       PHE  72   0.562  -8.079  11.576
  449    HD1  PHE  72           HD1      PHE  72   1.115  -9.435   9.439
  450    HD2  PHE  72           HD2      PHE  72   4.096  -7.745  11.977
  451    HE1  PHE  72           HE1      PHE  72   2.761 -10.983   8.533
  452    HE2  PHE  72           HE2      PHE  72   5.754  -9.296  11.069
  453    HZ   PHE  72           HZ       PHE  72   5.090 -10.926   9.334
  454    H    GLU  73           H        GLU  73   2.910  -5.465  11.875
  455    HA   GLU  73           HA       GLU  73   4.045  -3.415  10.501
  456   1HB   GLU  73          2HB       GLU  73   5.041  -5.130  12.727
  457   2HB   GLU  73          1HB       GLU  73   6.070  -3.894  12.025
  458   1HG   GLU  73          2HG       GLU  73   4.595  -3.332  14.103
  459   2HG   GLU  73          1HG       GLU  73   4.758  -2.134  12.820
  460    H    TYR  74           H        TYR  74   4.348  -6.494   9.523
  461    HA   TYR  74           HA       TYR  74   5.377  -7.546   7.977
  462   1HB   TYR  74          2HB       TYR  74   4.215  -5.815   6.663
  463   2HB   TYR  74          1HB       TYR  74   5.748  -4.918   6.676
  464    HD1  TYR  74           HD1      TYR  74   4.906  -8.483   5.956
  465    HD2  TYR  74           HD2      TYR  74   6.593  -4.832   4.625
  466    HE1  TYR  74           HE1      TYR  74   5.574  -9.586   3.874
  467    HE2  TYR  74           HE2      TYR  74   7.291  -5.943   2.495
  468    HH   TYR  74           HH       TYR  74   7.759  -8.213   1.723
  469    H    ILE  75           H        ILE  75   7.623  -5.190   6.796
  470    HA   ILE  75           HA       ILE  75   9.765  -6.151   8.419
  471    HB   ILE  75           HB       ILE  75  11.232  -6.841   6.510
  472   1HG1  ILE  75          2HG1      ILE  75   8.643  -6.983   4.939
  473   2HG1  ILE  75          1HG1      ILE  75   9.999  -5.903   4.637
  474   1HG2  ILE  75          1HG2      ILE  75   8.874  -8.622   7.039
  475   2HG2  ILE  75          2HG2      ILE  75  10.367  -8.520   7.974
  476   3HG2  ILE  75          3HG2      ILE  75  10.399  -9.151   6.317
  477   1HD1  ILE  75          1HD1      ILE  75   9.933  -7.749   3.044
  478   2HD1  ILE  75          2HD1      ILE  75  10.046  -8.906   4.356
  479   3HD1  ILE  75          3HD1      ILE  75  11.393  -7.837   4.021
  480    H    ILE  76           H        ILE  76  11.632  -4.985   8.260
  481    HA   ILE  76           HA       ILE  76  11.177  -2.326   7.146
  482    HB   ILE  76           HB       ILE  76  13.299  -3.170   9.140
  483   1HG1  ILE  76          2HG1      ILE  76  11.196  -3.620  10.218
  484   2HG1  ILE  76          1HG1      ILE  76  11.819  -2.129  10.887
  485   1HG2  ILE  76          1HG2      ILE  76  12.238  -0.455   8.401
  486   2HG2  ILE  76          2HG2      ILE  76  13.769  -1.159   7.911
  487   3HG2  ILE  76          3HG2      ILE  76  13.489  -0.778   9.617
  488   1HD1  ILE  76          1HD1      ILE  76  10.267  -0.862   9.449
  489   2HD1  ILE  76          2HD1      ILE  76   9.428  -1.987  10.530
  490   3HD1  ILE  76          3HD1      ILE  76   9.624  -2.392   8.827
  491    H    PHE  77           H        PHE  77  12.446  -1.626   5.508
  492    HA   PHE  77           HA       PHE  77  14.481  -3.491   4.594
  493   1HB   PHE  77          2HB       PHE  77  13.104  -1.248   3.101
  494   2HB   PHE  77          1HB       PHE  77  14.364  -2.270   2.428
  495    HD1  PHE  77           HD1      PHE  77  13.921  -4.686   2.068
  496    HD2  PHE  77           HD2      PHE  77  10.866  -1.970   3.220
  497    HE1  PHE  77           HE1      PHE  77  12.232  -6.295   1.341
  498    HE2  PHE  77           HE2      PHE  77   9.163  -3.588   2.481
  499    HZ   PHE  77           HZ       PHE  77   9.848  -5.756   1.539
  500    H    ARG  78           H        ARG  78  16.490  -2.720   3.864
  501    HA   ARG  78           HA       ARG  78  17.572  -0.768   5.676
  502   1HB   ARG  78          2HB       ARG  78  18.978  -2.231   3.429
  503   2HB   ARG  78          1HB       ARG  78  19.733  -1.334   4.727
  504   1HG   ARG  78          2HG       ARG  78  18.159  -3.895   4.999
  505   2HG   ARG  78          1HG       ARG  78  19.899  -3.699   5.152
  506   1HD   ARG  78          2HD       ARG  78  17.819  -2.466   6.968
  507   2HD   ARG  78          1HD       ARG  78  18.784  -3.878   7.332
  508    HE   ARG  78           HE       ARG  78  20.463  -1.685   6.701
  509   1HH1  ARG  78          1HH1      ARG  78  18.382  -2.979   9.256
  510   2HH1  ARG  78          2HH1      ARG  78  19.203  -2.270  10.537
  511   1HH2  ARG  78          1HH2      ARG  78  21.671  -0.651   8.492
  512   2HH2  ARG  78          2HH2      ARG  78  21.123  -0.910  10.080
  513    H    GLY  79           H        GLY  79  15.878  -0.281   3.022
  514   1HA   GLY  79          2HA       GLY  79  15.508   1.627   1.778
  515   2HA   GLY  79          1HA       GLY  79  16.899   2.378   2.564
  516    H    SER  80           H        SER  80  18.900   1.106   1.930
  517    HA   SER  80           HA       SER  80  19.308   1.282  -0.943
  518   1HB   SER  80          2HB       SER  80  21.115   1.823   0.700
  519   2HB   SER  80          1HB       SER  80  21.148   0.127   1.202
  520    HG   SER  80           HG       SER  80  22.368   1.351  -0.873
  521    H    ASP  81           H        ASP  81  17.661  -0.821   0.705
  522    HA   ASP  81           HA       ASP  81  18.564  -3.412  -0.303
  523   1HB   ASP  81          2HB       ASP  81  17.502  -2.917   2.052
  524   2HB   ASP  81          1HB       ASP  81  16.041  -2.764   1.066
  525    H    ILE  82           H        ILE  82  16.572  -0.837  -1.363
  526    HA   ILE  82           HA       ILE  82  14.769  -2.715  -2.674
  527    HB   ILE  82           HB       ILE  82  13.254  -0.850  -3.116
  528   1HG1  ILE  82          2HG1      ILE  82  15.228   0.788  -1.495
  529   2HG1  ILE  82          1HG1      ILE  82  14.939   0.966  -3.225
  530   1HG2  ILE  82          1HG2      ILE  82  12.952  -2.174  -1.129
  531   2HG2  ILE  82          2HG2      ILE  82  12.589  -0.474  -0.758
  532   3HG2  ILE  82          3HG2      ILE  82  14.120  -1.180  -0.258
  533   1HD1  ILE  82          1HD1      ILE  82  13.816   2.710  -1.962
  534   2HD1  ILE  82          2HD1      ILE  82  12.960   1.493  -1.014
  535   3HD1  ILE  82          3HD1      ILE  82  12.632   1.656  -2.736
  536    H    LYS  83           H        LYS  83  14.107  -2.474  -4.775
  537    HA   LYS  83           HA       LYS  83  16.245  -1.792  -6.607
  538   1HB   LYS  83          2HB       LYS  83  13.542  -3.073  -7.016
  539   2HB   LYS  83          1HB       LYS  83  14.680  -2.766  -8.308
  540   1HG   LYS  83          2HG       LYS  83  15.234  -4.530  -5.935
  541   2HG   LYS  83          1HG       LYS  83  14.575  -5.121  -7.460
  542   1HD   LYS  83          2HD       LYS  83  16.627  -4.191  -8.600
  543   2HD   LYS  83          1HD       LYS  83  17.276  -3.857  -6.983
  544   1HE   LYS  83          2HE       LYS  83  17.216  -6.207  -6.424
  545   2HE   LYS  83          1HE       LYS  83  16.400  -6.589  -7.934
  546   1HZ   LYS  83          1HZ       LYS  83  18.442  -5.847  -9.097
  547   2HZ   LYS  83          2HZ       LYS  83  18.679  -7.157  -8.104
  548   3HZ   LYS  83          3HZ       LYS  83  19.225  -5.638  -7.601
  549    H    ASP  84           H        ASP  84  12.690  -1.202  -6.615
  550    HA   ASP  84           HA       ASP  84  12.865   1.610  -7.203
  551   1HB   ASP  84          2HB       ASP  84  13.692   0.586  -9.397
  552   2HB   ASP  84          1HB       ASP  84  12.093  -0.207  -9.346
  553    H    LEU  85           H        LEU  85  11.081   2.116  -6.130
  554    HA   LEU  85           HA       LEU  85   8.907   1.991  -7.406
  555   1HB   LEU  85          2HB       LEU  85   8.920  -0.204  -5.853
  556   2HB   LEU  85          1HB       LEU  85   7.364   0.747  -5.607
  557    HG   LEU  85           HG       LEU  85   8.556  -0.539  -8.104
  558   1HD1  LEU  85          1HD1      LEU  85   6.590  -1.979  -8.011
  559   2HD1  LEU  85          2HD1      LEU  85   6.048  -1.044  -6.590
  560   3HD1  LEU  85          3HD1      LEU  85   7.496  -1.993  -6.472
  561   1HD2  LEU  85          1HD2      LEU  85   6.045   1.097  -7.789
  562   2HD2  LEU  85          2HD2      LEU  85   6.515   0.231  -9.244
  563   3HD2  LEU  85          3HD2      LEU  85   7.485   1.600  -8.671
  564    H    THR  86           H        THR  86   6.670   2.600  -6.434
  565    HA   THR  86           HA       THR  86   7.327   5.008  -4.952
  566    HB   THR  86           HB       THR  86   6.184   5.128  -7.775
  567    HG1  THR  86           HG1      THR  86   8.695   5.091  -6.822
  568   1HG2  THR  86          1HG2      THR  86   5.299   6.910  -6.312
  569   2HG2  THR  86          2HG2      THR  86   6.403   7.573  -7.530
  570   3HG2  THR  86          3HG2      THR  86   6.950   7.357  -5.872
  571    H    VAL  87           H        VAL  87   5.314   6.229  -4.300
  572    HA   VAL  87           HA       VAL  87   3.300   4.640  -3.231
  573    HB   VAL  87           HB       VAL  87   2.079   6.723  -2.750
  574   1HG1  VAL  87          1HG1      VAL  87   5.058   6.951  -2.343
  575   2HG1  VAL  87          2HG1      VAL  87   3.900   6.163  -1.266
  576   3HG1  VAL  87          3HG1      VAL  87   3.845   7.904  -1.495
  577   1HG2  VAL  87          1HG2      VAL  87   2.438   7.831  -4.880
  578   2HG2  VAL  87          2HG2      VAL  87   4.147   8.098  -4.487
  579   3HG2  VAL  87          3HG2      VAL  87   2.884   8.896  -3.549
  580    H    CYS  88           H        CYS  88   1.008   4.598  -3.707
  581    HA   CYS  88           HA       CYS  88   0.541   4.593  -6.585
  582   1HB   CYS  88          2HB       CYS  88   0.276   2.402  -5.401
  583   2HB   CYS  88          1HB       CYS  88  -0.971   3.127  -4.404
  584    HG   CYS  88           HG       CYS  88  -1.336   3.001  -7.776
  585    H    GLU  89           H        GLU  89  -0.266   6.325  -3.741
  586    HA   GLU  89           HA       GLU  89  -2.701   7.301  -5.014
  587   1HB   GLU  89          2HB       GLU  89  -3.410   8.108  -2.816
  588   2HB   GLU  89          1HB       GLU  89  -3.025   6.396  -2.744
  589   1HG   GLU  89          2HG       GLU  89  -0.839   6.955  -1.752
  590   2HG   GLU  89          1HG       GLU  89  -1.286   8.657  -1.800
  591    HA   PRO  90           HA       PRO  90  -0.643  11.114  -5.792
  592   1HB   PRO  90          2HB       PRO  90  -2.704  12.890  -5.790
  593   2HB   PRO  90          1HB       PRO  90  -2.440  11.737  -7.102
  594   1HG   PRO  90          2HG       PRO  90  -4.357  11.573  -4.809
  595   2HG   PRO  90          1HG       PRO  90  -4.598  11.149  -6.521
  596   1HD   PRO  90          2HD       PRO  90  -4.104   9.285  -4.598
  597   2HD   PRO  90          1HD       PRO  90  -3.588   9.105  -6.286
  598    HA   PRO  91           HA       PRO  91  -0.145  12.568  -1.546
  599   1HB   PRO  91          2HB       PRO  91   2.351  13.649  -2.057
  600   2HB   PRO  91          1HB       PRO  91   2.075  12.012  -1.480
  601   1HG   PRO  91          2HG       PRO  91   2.939  12.919  -4.110
  602   2HG   PRO  91          1HG       PRO  91   2.945  11.295  -3.420
  603   1HD   PRO  91          2HD       PRO  91   1.124  12.329  -5.367
  604   2HD   PRO  91          1HD       PRO  91   1.121  10.736  -4.576
  605    H    LYS  92           H        LYS  92  -1.014  14.345  -0.878
  606    HA   LYS  92           HA       LYS  92  -0.681  16.870  -2.411
  607   1HB   LYS  92          2HB       LYS  92  -2.933  15.741  -2.599
  608   2HB   LYS  92          1HB       LYS  92  -3.096  15.875  -0.873
  609   1HG   LYS  92          2HG       LYS  92  -3.099  18.300  -1.035
  610   2HG   LYS  92          1HG       LYS  92  -2.865  18.198  -2.789
  611   1HD   LYS  92          2HD       LYS  92  -4.942  16.870  -2.954
  612   2HD   LYS  92          1HD       LYS  92  -5.217  17.104  -1.238
  613   1HE   LYS  92          2HE       LYS  92  -5.338  19.516  -1.594
  614   2HE   LYS  92          1HE       LYS  92  -5.033  19.294  -3.302
  615   1HZ   LYS  92          1HZ       LYS  92  -7.023  17.926  -3.451
  616   2HZ   LYS  92          2HZ       LYS  92  -7.373  19.493  -2.996
  617   3HZ   LYS  92          3HZ       LYS  92  -7.398  18.249  -1.845
  618    HA   PRO  93           HA       PRO  93   0.916  17.788   1.706
  619   1HB   PRO  93          2HB       PRO  93   2.899  19.383   0.928
  620   2HB   PRO  93          1HB       PRO  93   2.997  17.640   0.672
  621   1HG   PRO  93          2HG       PRO  93   2.328  19.793  -1.286
  622   2HG   PRO  93          1HG       PRO  93   3.348  18.347  -1.507
  623   1HD   PRO  93          2HD       PRO  93   0.683  18.592  -2.279
  624   2HD   PRO  93          1HD       PRO  93   1.553  17.056  -2.047
  625    H    ILE  94           H        ILE  94  -1.383  18.996   0.436
  626    HA   ILE  94           HA       ILE  94  -2.811  20.719   0.803
  627    HB   ILE  94           HB       ILE  94  -0.521  22.108   2.252
  628   1HG1  ILE  94          2HG1      ILE  94  -2.966  20.670   3.339
  629   2HG1  ILE  94          1HG1      ILE  94  -1.321  20.051   3.372
  630   1HG2  ILE  94          1HG2      ILE  94  -2.251  23.639   3.149
  631   2HG2  ILE  94          2HG2      ILE  94  -3.439  22.886   2.087
  632   3HG2  ILE  94          3HG2      ILE  94  -2.086  23.774   1.400
  633   1HD1  ILE  94          1HD1      ILE  94  -2.305  22.512   4.788
  634   2HD1  ILE  94          2HD1      ILE  94  -0.668  21.845   4.901
  635   3HD1  ILE  94          3HD1      ILE  94  -2.042  20.944   5.538
  636    H    MET  95           H        MET  95   0.373  21.566  -0.326
  637    HA   MET  95           HA       MET  95  -0.975  23.010  -2.429
  638   1HB   MET  95          2HB       MET  95   1.684  23.761  -1.186
  639   2HB   MET  95          1HB       MET  95   1.001  24.537  -2.586
  640   1HG   MET  95          2HG       MET  95  -0.876  25.340  -1.247
  641   2HG   MET  95          1HG       MET  95  -0.176  24.550   0.187
  642   1HE   MET  95          1HE       MET  95  -0.277  26.808   1.580
  643   2HE   MET  95          2HE       MET  95  -1.035  27.585   0.192
  644   3HE   MET  95          3HE       MET  95   0.352  28.343   0.970
  Start of MODEL    7
    1    HA   PRO  16           HA       PRO  16  -5.940  -3.703   5.828
    2   1HB   PRO  16          2HB       PRO  16  -4.015  -4.906   4.393
    3   2HB   PRO  16          1HB       PRO  16  -5.258  -5.841   5.228
    4   1HG   PRO  16          2HG       PRO  16  -5.095  -5.068   2.347
    5   2HG   PRO  16          1HG       PRO  16  -5.507  -6.640   3.058
    6   1HD   PRO  16          2HD       PRO  16  -7.387  -4.853   2.181
    7   2HD   PRO  16          1HD       PRO  16  -7.664  -6.026   3.487
    8    H    TYR  17           H        TYR  17  -6.684  -1.426   4.521
    9    HA   TYR  17           HA       TYR  17  -4.124  -0.416   3.493
   10   1HB   TYR  17          2HB       TYR  17  -6.876   0.292   2.414
   11   2HB   TYR  17          1HB       TYR  17  -5.379   1.060   1.914
   12    HD1  TYR  17           HD1      TYR  17  -4.017   0.082   0.218
   13    HD2  TYR  17           HD2      TYR  17  -7.217  -2.159   1.871
   14    HE1  TYR  17           HE1      TYR  17  -3.745  -1.628  -1.558
   15    HE2  TYR  17           HE2      TYR  17  -6.957  -3.851   0.128
   16    HH   TYR  17           HH       TYR  17  -4.291  -3.848  -2.088
   17    H    ILE  18           H        ILE  18  -3.466   0.692   5.248
   18    HA   ILE  18           HA       ILE  18  -5.380   2.558   6.490
   19    HB   ILE  18           HB       ILE  18  -2.882   1.342   7.732
   20   1HG1  ILE  18          2HG1      ILE  18  -4.514   0.447   9.468
   21   2HG1  ILE  18          1HG1      ILE  18  -5.817   0.991   8.420
   22   1HG2  ILE  18          1HG2      ILE  18  -3.013   3.603   8.532
   23   2HG2  ILE  18          2HG2      ILE  18  -3.518   2.508   9.834
   24   3HG2  ILE  18          3HG2      ILE  18  -4.719   3.401   8.918
   25   1HD1  ILE  18          1HD1      ILE  18  -5.455  -1.398   8.179
   26   2HD1  ILE  18          2HD1      ILE  18  -3.759  -1.134   7.822
   27   3HD1  ILE  18          3HD1      ILE  18  -4.990  -0.588   6.681
   28    H    GLY  19           H        GLY  19  -2.026   2.354   5.617
   29   1HA   GLY  19          2HA       GLY  19  -1.752   5.291   5.762
   30   2HA   GLY  19          1HA       GLY  19  -0.420   4.156   5.696
   31    H    SER  20           H        SER  20   0.708   4.929   3.986
   32    HA   SER  20           HA       SER  20  -0.628   5.741   1.554
   33   1HB   SER  20          2HB       SER  20   2.308   5.584   2.270
   34   2HB   SER  20          1HB       SER  20   1.671   6.277   0.779
   35    HG   SER  20           HG       SER  20   1.795   8.004   2.046
   36    H    LYS  21           H        LYS  21  -0.609   4.710  -0.368
   37    HA   LYS  21           HA       LYS  21   0.053   1.859  -0.325
   38   1HB   LYS  21          2HB       LYS  21  -1.562   3.437  -2.347
   39   2HB   LYS  21          1HB       LYS  21  -1.375   1.703  -2.326
   40   1HG   LYS  21          2HG       LYS  21  -3.575   2.236  -1.585
   41   2HG   LYS  21          1HG       LYS  21  -2.655   1.644  -0.195
   42   1HD   LYS  21          2HD       LYS  21  -2.436   3.863   0.674
   43   2HD   LYS  21          1HD       LYS  21  -3.052   4.570  -0.820
   44   1HE   LYS  21          2HE       LYS  21  -4.614   2.793   1.034
   45   2HE   LYS  21          1HE       LYS  21  -4.692   4.551   1.030
   46   1HZ   LYS  21          1HZ       LYS  21  -6.524   3.559  -0.314
   47   2HZ   LYS  21          2HZ       LYS  21  -5.333   2.929  -1.393
   48   3HZ   LYS  21          3HZ       LYS  21  -5.484   4.518  -1.218
   49    H    ILE  22           H        ILE  22   1.992   1.356  -1.270
   50    HA   ILE  22           HA       ILE  22   2.646   2.754  -3.732
   51    HB   ILE  22           HB       ILE  22   4.962   3.158  -3.217
   52   1HG1  ILE  22          2HG1      ILE  22   4.459   1.816  -0.548
   53   2HG1  ILE  22          1HG1      ILE  22   5.447   1.228  -1.830
   54   1HG2  ILE  22          1HG2      ILE  22   4.861   4.886  -1.461
   55   2HG2  ILE  22          2HG2      ILE  22   3.324   4.225  -0.928
   56   3HG2  ILE  22          3HG2      ILE  22   3.455   4.938  -2.528
   57   1HD1  ILE  22          1HD1      ILE  22   7.017   3.056  -1.532
   58   2HD1  ILE  22          2HD1      ILE  22   6.787   2.133  -0.043
   59   3HD1  ILE  22          3HD1      ILE  22   6.000   3.712  -0.248
   60    H    SER  23           H        SER  23   4.009   1.617  -5.055
   61    HA   SER  23           HA       SER  23   4.157  -1.234  -4.501
   62   1HB   SER  23          2HB       SER  23   4.636   0.262  -7.100
   63   2HB   SER  23          1HB       SER  23   4.491  -1.480  -6.893
   64    HG   SER  23           HG       SER  23   2.398  -0.396  -5.775
   65    H    LEU  24           H        LEU  24   6.054  -1.888  -3.754
   66    HA   LEU  24           HA       LEU  24   8.487  -0.374  -4.388
   67   1HB   LEU  24          2HB       LEU  24   7.905   0.075  -2.114
   68   2HB   LEU  24          1HB       LEU  24   7.619  -1.639  -1.787
   69    HG   LEU  24           HG       LEU  24  10.071  -1.977  -2.084
   70   1HD1  LEU  24          1HD1      LEU  24  11.535  -0.066  -2.074
   71   2HD1  LEU  24          2HD1      LEU  24  10.157   1.025  -2.228
   72   3HD1  LEU  24          3HD1      LEU  24  10.546  -0.108  -3.518
   73   1HD2  LEU  24          1HD2      LEU  24   9.113  -1.719   0.131
   74   2HD2  LEU  24          2HD2      LEU  24   9.254   0.038  -0.003
   75   3HD2  LEU  24          3HD2      LEU  24  10.709  -0.975   0.024
   76    H    ILE  25           H        ILE  25  10.041  -1.571  -5.279
   77    HA   ILE  25           HA       ILE  25   9.789  -4.481  -5.007
   78    HB   ILE  25           HB       ILE  25  11.256  -3.004  -7.212
   79   1HG1  ILE  25          2HG1      ILE  25   8.642  -4.536  -7.285
   80   2HG1  ILE  25          1HG1      ILE  25   8.818  -2.780  -7.400
   81   1HG2  ILE  25          1HG2      ILE  25  10.727  -5.965  -6.785
   82   2HG2  ILE  25          2HG2      ILE  25  12.280  -5.168  -6.677
   83   3HG2  ILE  25          3HG2      ILE  25  11.433  -5.265  -8.237
   84   1HD1  ILE  25          1HD1      ILE  25   9.818  -4.815  -9.394
   85   2HD1  ILE  25          2HD1      ILE  25  10.050  -3.072  -9.493
   86   3HD1  ILE  25          3HD1      ILE  25   8.425  -3.742  -9.595
   87    H    SER  26           H        SER  26  11.114  -5.386  -3.794
   88    HA   SER  26           HA       SER  26  13.454  -4.128  -2.737
   89   1HB   SER  26          2HB       SER  26  12.069  -5.709  -1.436
   90   2HB   SER  26          1HB       SER  26  12.494  -7.002  -2.547
   91    HG   SER  26           HG       SER  26  13.717  -6.511  -0.418
   92    H    LYS  27           H        LYS  27  15.620  -5.014  -2.995
   93    HA   LYS  27           HA       LYS  27  16.433  -5.326  -5.590
   94   1HB   LYS  27          2HB       LYS  27  18.692  -6.049  -4.595
   95   2HB   LYS  27          1HB       LYS  27  18.060  -4.462  -4.213
   96   1HG   LYS  27          2HG       LYS  27  19.040  -5.507  -2.217
   97   2HG   LYS  27          1HG       LYS  27  17.301  -5.303  -2.030
   98   1HD   LYS  27          2HD       LYS  27  16.944  -7.636  -2.556
   99   2HD   LYS  27          1HD       LYS  27  18.684  -7.864  -2.785
  100   1HE   LYS  27          2HE       LYS  27  19.117  -7.217  -0.460
  101   2HE   LYS  27          1HE       LYS  27  17.406  -6.940  -0.192
  102   1HZ   LYS  27          1HZ       LYS  27  18.670  -9.556  -0.802
  103   2HZ   LYS  27          2HZ       LYS  27  17.031  -9.334  -0.556
  104   3HZ   LYS  27          3HZ       LYS  27  18.116  -9.058   0.698
  105    H    ALA  28           H        ALA  28  14.998  -7.711  -3.868
  106    HA   ALA  28           HA       ALA  28  16.362  -9.930  -5.175
  107   1HB   ALA  28          1HB       ALA  28  14.747 -11.329  -3.915
  108   2HB   ALA  28          2HB       ALA  28  13.975  -9.861  -3.318
  109   3HB   ALA  28          3HB       ALA  28  15.649 -10.232  -2.876
  110    H    GLU  29           H        GLU  29  14.505  -7.646  -6.258
  111    HA   GLU  29           HA       GLU  29  13.231  -7.246  -8.020
  112   1HB   GLU  29          2HB       GLU  29  13.562 -10.186  -8.756
  113   2HB   GLU  29          1HB       GLU  29  13.064  -8.864  -9.805
  114   1HG   GLU  29          2HG       GLU  29  15.773  -9.130  -8.521
  115   2HG   GLU  29          1HG       GLU  29  15.392  -9.487 -10.198
  116    H    ILE  30           H        ILE  30  12.176  -8.117  -5.498
  117    HA   ILE  30           HA       ILE  30   9.704  -9.520  -6.259
  118    HB   ILE  30           HB       ILE  30  10.710  -8.990  -3.446
  119   1HG1  ILE  30          2HG1      ILE  30  10.718 -11.568  -5.051
  120   2HG1  ILE  30          1HG1      ILE  30  12.147 -10.587  -4.684
  121   1HG2  ILE  30          1HG2      ILE  30   8.940 -10.571  -2.752
  122   2HG2  ILE  30          2HG2      ILE  30   8.433 -10.691  -4.448
  123   3HG2  ILE  30          3HG2      ILE  30   8.297  -9.156  -3.598
  124   1HD1  ILE  30          1HD1      ILE  30  11.825 -11.031  -2.311
  125   2HD1  ILE  30          2HD1      ILE  30  11.980 -12.547  -3.222
  126   3HD1  ILE  30          3HD1      ILE  30  10.405 -12.003  -2.671
  127    H    ARG  31           H        ARG  31   7.819  -8.576  -6.285
  128    HA   ARG  31           HA       ARG  31   7.623  -5.700  -5.901
  129   1HB   ARG  31          2HB       ARG  31   5.571  -7.704  -6.866
  130   2HB   ARG  31          1HB       ARG  31   5.432  -5.965  -6.950
  131   1HG   ARG  31          2HG       ARG  31   7.217  -5.841  -8.546
  132   2HG   ARG  31          1HG       ARG  31   7.491  -7.595  -8.409
  133   1HD   ARG  31          2HD       ARG  31   5.190  -7.976  -9.189
  134   2HD   ARG  31          1HD       ARG  31   4.974  -6.234  -9.405
  135    HE   ARG  31           HE       ARG  31   7.062  -6.621 -10.935
  136   1HH1  ARG  31          1HH1      ARG  31   4.121  -8.618 -10.670
  137   2HH1  ARG  31          2HH1      ARG  31   4.195  -9.157 -12.276
  138   1HH2  ARG  31          1HH2      ARG  31   7.135  -7.418 -13.179
  139   2HH2  ARG  31          2HH2      ARG  31   5.924  -8.496 -13.692
  140    H    TYR  32           H        TYR  32   6.981  -4.889  -3.995
  141    HA   TYR  32           HA       TYR  32   4.997  -6.353  -2.413
  142   1HB   TYR  32          2HB       TYR  32   7.227  -4.513  -1.533
  143   2HB   TYR  32          1HB       TYR  32   5.961  -5.045  -0.448
  144    HD1  TYR  32           HD1      TYR  32   9.114  -5.887  -2.033
  145    HD2  TYR  32           HD2      TYR  32   5.828  -7.498   0.134
  146    HE1  TYR  32           HE1      TYR  32  10.455  -7.875  -1.491
  147    HE2  TYR  32           HE2      TYR  32   7.164  -9.491   0.683
  148    HH   TYR  32           HH       TYR  32   9.084 -10.696  -0.209
  149    H    GLU  33           H        GLU  33   3.139  -5.227  -1.975
  150    HA   GLU  33           HA       GLU  33   3.084  -2.356  -2.446
  151   1HB   GLU  33          2HB       GLU  33   2.348  -3.790  -4.521
  152   2HB   GLU  33          1HB       GLU  33   0.950  -4.208  -3.570
  153   1HG   GLU  33          2HG       GLU  33   1.710  -1.409  -4.429
  154   2HG   GLU  33          1HG       GLU  33   0.516  -2.420  -5.209
  155    H    GLY  34           H        GLY  34   1.898  -1.405  -0.869
  156   1HA   GLY  34          2HA       GLY  34  -0.234  -2.403   0.570
  157   2HA   GLY  34          1HA       GLY  34   1.190  -2.990   1.412
  158    H    ILE  35           H        ILE  35   0.328  -1.554   3.275
  159    HA   ILE  35           HA       ILE  35   0.697   1.083   2.423
  160    HB   ILE  35           HB       ILE  35  -0.378   1.900   4.431
  161   1HG1  ILE  35          2HG1      ILE  35  -0.088  -0.084   5.949
  162   2HG1  ILE  35          1HG1      ILE  35  -1.723   0.524   5.922
  163   1HG2  ILE  35          1HG2      ILE  35  -2.019   0.061   2.713
  164   2HG2  ILE  35          2HG2      ILE  35  -1.578   1.735   2.386
  165   3HG2  ILE  35          3HG2      ILE  35  -2.657   1.364   3.731
  166   1HD1  ILE  35          1HD1      ILE  35  -1.780  -1.831   5.976
  167   2HD1  ILE  35          2HD1      ILE  35  -0.672  -2.001   4.657
  168   3HD1  ILE  35          3HD1      ILE  35  -2.303  -1.361   4.364
  169    H    LEU  36           H        LEU  36   2.222   2.177   2.753
  170    HA   LEU  36           HA       LEU  36   4.440   1.489   4.391
  171   1HB   LEU  36          2HB       LEU  36   4.658   2.733   2.261
  172   2HB   LEU  36          1HB       LEU  36   3.777   4.071   2.956
  173    HG   LEU  36           HG       LEU  36   6.421   3.188   4.110
  174   1HD1  LEU  36          1HD1      LEU  36   7.450   4.887   2.676
  175   2HD1  LEU  36          2HD1      LEU  36   5.872   5.162   1.910
  176   3HD1  LEU  36          3HD1      LEU  36   6.677   3.594   1.754
  177   1HD2  LEU  36          1HD2      LEU  36   6.524   5.498   4.853
  178   2HD2  LEU  36          2HD2      LEU  36   5.032   4.770   5.450
  179   3HD2  LEU  36          3HD2      LEU  36   4.992   5.864   4.076
  180    H    TYR  37           H        TYR  37   4.963   2.162   6.381
  181    HA   TYR  37           HA       TYR  37   2.930   3.715   7.784
  182   1HB   TYR  37          2HB       TYR  37   3.281   1.425   8.554
  183   2HB   TYR  37          1HB       TYR  37   4.971   1.774   8.862
  184    HD1  TYR  37           HD1      TYR  37   1.523   2.739   9.873
  185    HD2  TYR  37           HD2      TYR  37   5.625   2.577  11.003
  186    HE1  TYR  37           HE1      TYR  37   0.911   3.372  12.143
  187    HE2  TYR  37           HE2      TYR  37   5.020   3.215  13.299
  188    HH   TYR  37           HH       TYR  37   3.147   4.380  14.472
  189    H    THR  38           H        THR  38   6.485   3.385   7.464
  190    HA   THR  38           HA       THR  38   6.801   6.178   8.053
  191    HB   THR  38           HB       THR  38   8.058   4.104   9.923
  192    HG1  THR  38           HG1      THR  38   5.696   5.383  10.016
  193   1HG2  THR  38          1HG2      THR  38   8.878   6.030  11.199
  194   2HG2  THR  38          2HG2      THR  38   8.163   7.119  10.014
  195   3HG2  THR  38          3HG2      THR  38   9.514   6.090   9.557
  196    H    ILE  39           H        ILE  39   8.967   6.923   7.484
  197    HA   ILE  39           HA       ILE  39  10.676   4.967   6.123
  198    HB   ILE  39           HB       ILE  39  10.147   7.855   5.301
  199   1HG1  ILE  39          2HG1      ILE  39   9.551   5.304   3.811
  200   2HG1  ILE  39          1HG1      ILE  39   8.354   6.248   4.675
  201   1HG2  ILE  39          1HG2      ILE  39  11.640   7.411   3.400
  202   2HG2  ILE  39          2HG2      ILE  39  11.980   5.813   4.048
  203   3HG2  ILE  39          3HG2      ILE  39  12.479   7.248   4.945
  204   1HD1  ILE  39          1HD1      ILE  39   9.987   7.170   2.318
  205   2HD1  ILE  39          2HD1      ILE  39   8.799   8.151   3.173
  206   3HD1  ILE  39          3HD1      ILE  39   8.281   6.731   2.272
  207    H    ASP  40           H        ASP  40  12.727   5.047   6.792
  208    HA   ASP  40           HA       ASP  40  13.468   7.106   8.721
  209   1HB   ASP  40          2HB       ASP  40  13.925   4.771   9.338
  210   2HB   ASP  40          1HB       ASP  40  14.867   4.557   7.879
  211    H    THR  41           H        THR  41  13.945   8.861   7.535
  212    HA   THR  41           HA       THR  41  15.042   8.816   4.949
  213    HB   THR  41           HB       THR  41  14.871  11.112   6.923
  214    HG1  THR  41           HG1      THR  41  12.844  11.414   6.064
  215   1HG2  THR  41          1HG2      THR  41  15.080  11.096   3.883
  216   2HG2  THR  41          2HG2      THR  41  16.308  11.712   4.990
  217   3HG2  THR  41          3HG2      THR  41  14.750  12.517   4.861
  218    H    GLU  42           H        GLU  42  16.566   8.437   7.943
  219    HA   GLU  42           HA       GLU  42  19.054   9.723   7.371
  220   1HB   GLU  42          2HB       GLU  42  18.172   9.498   9.623
  221   2HB   GLU  42          1HB       GLU  42  18.156   7.758   9.464
  222   1HG   GLU  42          2HG       GLU  42  20.564   7.703   9.445
  223   2HG   GLU  42          1HG       GLU  42  20.640   9.466   9.442
  224    H    ASN  43           H        ASN  43  17.862   6.387   7.469
  225    HA   ASN  43           HA       ASN  43  20.284   5.315   6.071
  226   1HB   ASN  43          2HB       ASN  43  18.018   3.969   7.533
  227   2HB   ASN  43          1HB       ASN  43  19.380   3.128   6.802
  228   1HD2  ASN  43          1HD2      ASN  43  18.337   5.198   9.396
  229   2HD2  ASN  43          2HD2      ASN  43  19.708   4.960  10.406
  230    H    SER  44           H        SER  44  17.260   6.426   5.460
  231    HA   SER  44           HA       SER  44  15.929   6.500   3.662
  232   1HB   SER  44          2HB       SER  44  18.087   4.894   2.264
  233   2HB   SER  44          1HB       SER  44  16.749   5.730   1.471
  234    HG   SER  44           HG       SER  44  18.321   7.238   3.183
  235    H    THR  45           H        THR  45  15.940   4.228   5.639
  236    HA   THR  45           HA       THR  45  15.152   1.915   4.129
  237    HB   THR  45           HB       THR  45  14.798   0.845   6.295
  238    HG1  THR  45           HG1      THR  45  15.569   2.232   8.153
  239   1HG2  THR  45          1HG2      THR  45  17.364   2.406   6.148
  240   2HG2  THR  45          2HG2      THR  45  17.030   0.858   5.370
  241   3HG2  THR  45          3HG2      THR  45  17.100   0.960   7.130
  242    H    VAL  46           H        VAL  46  13.135   0.959   4.138
  243    HA   VAL  46           HA       VAL  46  10.924   2.848   4.622
  244    HB   VAL  46           HB       VAL  46  11.079   0.627   2.558
  245   1HG1  VAL  46          1HG1      VAL  46   8.888   2.656   3.076
  246   2HG1  VAL  46          2HG1      VAL  46   8.791   0.917   3.353
  247   3HG1  VAL  46          3HG1      VAL  46   8.942   1.537   1.708
  248   1HG2  VAL  46          1HG2      VAL  46  12.493   2.532   1.958
  249   2HG2  VAL  46          2HG2      VAL  46  11.144   3.625   2.242
  250   3HG2  VAL  46          3HG2      VAL  46  11.072   2.481   0.903
  251    H    ALA  47           H        ALA  47   9.426   2.285   6.063
  252    HA   ALA  47           HA       ALA  47   9.424  -0.479   7.001
  253   1HB   ALA  47          1HB       ALA  47   8.451   2.024   8.369
  254   2HB   ALA  47          2HB       ALA  47   9.990   1.240   8.680
  255   3HB   ALA  47          3HB       ALA  47   8.472   0.409   9.079
  256    H    LEU  48           H        LEU  48   7.851  -1.662   6.171
  257    HA   LEU  48           HA       LEU  48   5.338  -0.399   5.380
  258   1HB   LEU  48          2HB       LEU  48   6.463  -3.130   4.883
  259   2HB   LEU  48          1HB       LEU  48   4.899  -2.588   4.324
  260    HG   LEU  48           HG       LEU  48   7.565  -1.502   3.432
  261   1HD1  LEU  48          1HD1      LEU  48   7.109  -2.738   1.393
  262   2HD1  LEU  48          2HD1      LEU  48   5.543  -3.227   2.039
  263   3HD1  LEU  48          3HD1      LEU  48   7.011  -3.828   2.793
  264   1HD2  LEU  48          1HD2      LEU  48   5.758   0.191   3.305
  265   2HD2  LEU  48          2HD2      LEU  48   4.748  -0.963   2.454
  266   3HD2  LEU  48          3HD2      LEU  48   6.238  -0.373   1.704
  267    H    ALA  49           H        ALA  49   3.461  -0.906   6.399
  268    HA   ALA  49           HA       ALA  49   3.616  -2.943   8.469
  269   1HB   ALA  49          1HB       ALA  49   3.662  -0.692   9.525
  270   2HB   ALA  49          2HB       ALA  49   2.175  -1.579   9.874
  271   3HB   ALA  49          3HB       ALA  49   2.165  -0.312   8.672
  272    H    LYS  50           H        LYS  50   2.348  -4.461   8.020
  273    HA   LYS  50           HA       LYS  50   0.567  -5.726   7.418
  274   1HB   LYS  50          2HB       LYS  50  -1.091  -3.186   7.257
  275   2HB   LYS  50          1HB       LYS  50  -1.640  -4.827   7.575
  276   1HG   LYS  50          2HG       LYS  50  -0.353  -4.772   9.724
  277   2HG   LYS  50          1HG       LYS  50   0.021  -3.087   9.232
  278   1HD   LYS  50          2HD       LYS  50  -1.789  -3.182  10.921
  279   2HD   LYS  50          1HD       LYS  50  -2.328  -2.492   9.384
  280   1HE   LYS  50          2HE       LYS  50  -3.981  -4.022  10.280
  281   2HE   LYS  50          1HE       LYS  50  -3.333  -4.655   8.783
  282   1HZ   LYS  50          1HZ       LYS  50  -3.480  -6.404  10.373
  283   2HZ   LYS  50          2HZ       LYS  50  -2.645  -5.525  11.537
  284   3HZ   LYS  50          3HZ       LYS  50  -1.824  -6.094  10.166
  285    H    VAL  51           H        VAL  51   2.379  -4.792   5.489
  286    HA   VAL  51           HA       VAL  51   1.134  -3.808   3.205
  287    HB   VAL  51           HB       VAL  51   3.544  -3.690   3.413
  288   1HG1  VAL  51          1HG1      VAL  51   3.583  -6.704   3.523
  289   2HG1  VAL  51          2HG1      VAL  51   4.038  -5.587   4.816
  290   3HG1  VAL  51          3HG1      VAL  51   5.001  -5.682   3.349
  291   1HG2  VAL  51          1HG2      VAL  51   4.346  -4.782   1.310
  292   2HG2  VAL  51          2HG2      VAL  51   2.875  -3.868   1.092
  293   3HG2  VAL  51          3HG2      VAL  51   2.812  -5.624   1.200
  294    H    ARG  52           H        ARG  52  -0.441  -4.866   2.115
  295    HA   ARG  52           HA       ARG  52  -0.170  -7.527   1.173
  296   1HB   ARG  52          2HB       ARG  52  -0.842  -7.828   3.603
  297   2HB   ARG  52          1HB       ARG  52  -2.370  -7.089   3.213
  298   1HG   ARG  52          2HG       ARG  52  -2.539  -9.534   3.277
  299   2HG   ARG  52          1HG       ARG  52  -2.882  -8.913   1.657
  300   1HD   ARG  52          2HD       ARG  52  -0.714  -9.539   0.873
  301   2HD   ARG  52          1HD       ARG  52  -0.166  -9.892   2.512
  302    HE   ARG  52           HE       ARG  52  -1.875 -11.726   2.479
  303   1HH1  ARG  52          1HH1      ARG  52  -0.452 -10.648  -0.581
  304   2HH1  ARG  52          2HH1      ARG  52  -0.519 -12.176  -1.300
  305   1HH2  ARG  52          1HH2      ARG  52  -1.947 -13.694   1.601
  306   2HH2  ARG  52          2HH2      ARG  52  -1.446 -14.088   0.005
  307    H    SER  53           H        SER  53  -0.664  -6.555  -0.829
  308    HA   SER  53           HA       SER  53  -3.109  -5.040  -0.970
  309   1HB   SER  53          2HB       SER  53  -1.030  -4.253  -2.092
  310   2HB   SER  53          1HB       SER  53  -1.109  -5.647  -3.165
  311    HG   SER  53           HG       SER  53  -2.162  -3.374  -3.519
  312    H    PHE  54           H        PHE  54  -4.837  -6.360  -0.949
  313    HA   PHE  54           HA       PHE  54  -5.653  -7.790  -3.205
  314   1HB   PHE  54          2HB       PHE  54  -3.899  -9.426  -2.336
  315   2HB   PHE  54          1HB       PHE  54  -4.862  -9.611  -0.876
  316    HD1  PHE  54           HD1      PHE  54  -6.281 -11.363  -0.776
  317    HD2  PHE  54           HD2      PHE  54  -5.223  -9.846  -4.590
  318    HE1  PHE  54           HE1      PHE  54  -7.596 -13.167  -1.844
  319    HE2  PHE  54           HE2      PHE  54  -6.514 -11.636  -5.683
  320    HZ   PHE  54           HZ       PHE  54  -7.612 -13.351  -4.337
  321    H    GLY  55           H        GLY  55  -6.598  -5.774  -1.253
  322   1HA   GLY  55          2HA       GLY  55  -8.410  -7.047   0.533
  323   2HA   GLY  55          1HA       GLY  55  -8.272  -5.325   0.183
  324    H    THR  56           H        THR  56  -9.141  -4.632  -1.965
  325    HA   THR  56           HA       THR  56 -11.035  -4.073  -2.892
  326    HB   THR  56           HB       THR  56 -12.025  -6.158  -4.284
  327    HG1  THR  56           HG1      THR  56 -10.650  -7.715  -3.551
  328   1HG2  THR  56          1HG2      THR  56  -9.488  -4.744  -5.162
  329   2HG2  THR  56          2HG2      THR  56 -11.086  -4.018  -5.144
  330   3HG2  THR  56          3HG2      THR  56 -10.808  -5.416  -6.164
  331    H    GLU  57           H        GLU  57 -12.737  -3.302  -2.307
  332    HA   GLU  57           HA       GLU  57 -14.434  -4.907  -0.573
  333   1HB   GLU  57          2HB       GLU  57 -14.699  -1.991  -1.238
  334   2HB   GLU  57          1HB       GLU  57 -15.608  -2.879  -0.002
  335   1HG   GLU  57          2HG       GLU  57 -12.660  -2.415  -0.069
  336   2HG   GLU  57          1HG       GLU  57 -13.794  -1.492   0.922
  337    H    ASP  58           H        ASP  58 -15.945  -2.351  -2.390
  338    HA   ASP  58           HA       ASP  58 -17.847  -4.107  -3.706
  339   1HB   ASP  58          2HB       ASP  58 -17.329  -1.148  -4.184
  340   2HB   ASP  58          1HB       ASP  58 -18.662  -2.053  -4.855
  341    H    ARG  59           H        ARG  59 -14.829  -3.167  -4.279
  342    HA   ARG  59           HA       ARG  59 -14.854  -3.281  -7.213
  343   1HB   ARG  59          2HB       ARG  59 -12.704  -2.975  -5.220
  344   2HB   ARG  59          1HB       ARG  59 -12.421  -2.665  -6.927
  345   1HG   ARG  59          2HG       ARG  59 -14.280  -0.815  -6.646
  346   2HG   ARG  59          1HG       ARG  59 -13.930  -0.969  -4.939
  347   1HD   ARG  59          2HD       ARG  59 -12.600   0.851  -5.802
  348   2HD   ARG  59          1HD       ARG  59 -11.532  -0.514  -5.449
  349    HE   ARG  59           HE       ARG  59 -12.508  -0.429  -8.155
  350   1HH1  ARG  59          1HH1      ARG  59  -9.844   0.689  -6.032
  351   2HH1  ARG  59          2HH1      ARG  59  -8.748   0.840  -7.323
  352   1HH2  ARG  59          1HH2      ARG  59 -10.946  -0.188  -9.893
  353   2HH2  ARG  59          2HH2      ARG  59  -9.388   0.360  -9.548
  354    HA   PRO  60           HA       PRO  60 -13.348  -7.229  -8.405
  355   1HB   PRO  60          2HB       PRO  60 -10.591  -6.770  -7.427
  356   2HB   PRO  60          1HB       PRO  60 -11.192  -7.516  -8.895
  357   1HG   PRO  60          2HG       PRO  60 -10.666  -4.740  -8.572
  358   2HG   PRO  60          1HG       PRO  60 -11.364  -5.546  -9.978
  359   1HD   PRO  60          2HD       PRO  60 -12.755  -3.708  -8.439
  360   2HD   PRO  60          1HD       PRO  60 -13.538  -4.971  -9.391
  361    H    THR  61           H        THR  61 -13.198  -6.865  -5.059
  362    HA   THR  61           HA       THR  61 -12.881  -9.654  -4.714
  363    HB   THR  61           HB       THR  61 -13.427  -7.354  -2.972
  364    HG1  THR  61           HG1      THR  61 -11.627  -8.168  -1.920
  365   1HG2  THR  61          1HG2      THR  61 -15.068  -8.895  -2.214
  366   2HG2  THR  61          2HG2      THR  61 -13.769  -8.756  -1.027
  367   3HG2  THR  61          3HG2      THR  61 -13.883 -10.197  -2.062
  368    H    ASP  62           H        ASP  62 -15.478  -7.276  -4.784
  369    HA   ASP  62           HA       ASP  62 -17.640  -7.316  -5.187
  370   1HB   ASP  62          2HB       ASP  62 -17.231 -10.215  -6.001
  371   2HB   ASP  62          1HB       ASP  62 -18.784  -9.409  -6.093
  372    H    ARG  63           H        ARG  63 -16.622  -9.981  -3.104
  373    HA   ARG  63           HA       ARG  63 -18.526  -9.052  -1.151
  374   1HB   ARG  63          2HB       ARG  63 -20.004 -10.517  -2.388
  375   2HB   ARG  63          1HB       ARG  63 -18.898 -11.859  -2.263
  376   1HG   ARG  63          2HG       ARG  63 -19.226 -11.833   0.189
  377   2HG   ARG  63          1HG       ARG  63 -20.424 -10.555  -0.013
  378   1HD   ARG  63          2HD       ARG  63 -20.581 -13.311  -1.232
  379   2HD   ARG  63          1HD       ARG  63 -21.491 -12.755   0.161
  380    HE   ARG  63           HE       ARG  63 -22.121 -10.951  -1.747
  381   1HH1  ARG  63          1HH1      ARG  63 -22.198 -14.478  -1.720
  382   2HH1  ARG  63          2HH1      ARG  63 -23.545 -14.634  -2.762
  383   1HH2  ARG  63          1HH2      ARG  63 -23.994 -11.112  -3.145
  384   2HH2  ARG  63          2HH2      ARG  63 -24.628 -12.618  -3.579
  385    HA   PRO  64           HA       PRO  64 -15.860 -12.167   1.317
  386   1HB   PRO  64          2HB       PRO  64 -14.249 -13.974   0.204
  387   2HB   PRO  64          1HB       PRO  64 -15.996 -14.237   0.274
  388   1HG   PRO  64          2HG       PRO  64 -14.345 -13.226  -2.011
  389   2HG   PRO  64          1HG       PRO  64 -15.619 -14.473  -2.040
  390   1HD   PRO  64          2HD       PRO  64 -15.979 -11.854  -2.760
  391   2HD   PRO  64          1HD       PRO  64 -17.275 -12.894  -2.109
  392    H    ILE  65           H        ILE  65 -14.562 -10.492   2.091
  393    HA   ILE  65           HA       ILE  65 -12.328  -9.561   0.476
  394    HB   ILE  65           HB       ILE  65 -12.979  -8.370   3.240
  395   1HG1  ILE  65          2HG1      ILE  65 -14.185  -7.547   0.584
  396   2HG1  ILE  65          1HG1      ILE  65 -15.066  -8.543   1.719
  397   1HG2  ILE  65          1HG2      ILE  65 -10.917  -7.808   2.182
  398   2HG2  ILE  65          2HG2      ILE  65 -12.036  -6.446   2.290
  399   3HG2  ILE  65          3HG2      ILE  65 -11.781  -7.257   0.747
  400   1HD1  ILE  65          1HD1      ILE  65 -15.710  -6.226   1.942
  401   2HD1  ILE  65          2HD1      ILE  65 -14.033  -5.761   2.190
  402   3HD1  ILE  65          3HD1      ILE  65 -14.856  -6.751   3.393
  403    H    ALA  66           H        ALA  66 -10.214  -9.616   1.069
  404    HA   ALA  66           HA       ALA  66  -9.228 -11.843   2.470
  405   1HB   ALA  66          1HB       ALA  66  -7.016 -10.863   2.122
  406   2HB   ALA  66          2HB       ALA  66  -7.756  -9.314   1.687
  407   3HB   ALA  66          3HB       ALA  66  -7.994 -10.716   0.659
  408    HA   PRO  67           HA       PRO  67  -9.016 -10.329   6.662
  409   1HB   PRO  67          2HB       PRO  67  -6.672 -11.815   7.354
  410   2HB   PRO  67          1HB       PRO  67  -8.349 -12.245   7.662
  411   1HG   PRO  67          2HG       PRO  67  -6.671 -13.589   5.952
  412   2HG   PRO  67          1HG       PRO  67  -8.441 -13.659   5.878
  413   1HD   PRO  67          2HD       PRO  67  -6.520 -12.079   4.219
  414   2HD   PRO  67          1HD       PRO  67  -8.063 -12.858   3.760
  415    H    ARG  68           H        ARG  68  -8.443  -8.446   7.247
  416    HA   ARG  68           HA       ARG  68  -5.989  -7.165   6.499
  417   1HB   ARG  68          2HB       ARG  68  -6.698  -5.286   8.005
  418   2HB   ARG  68          1HB       ARG  68  -7.921  -5.750   6.830
  419   1HG   ARG  68          2HG       ARG  68  -9.172  -6.934   8.517
  420   2HG   ARG  68          1HG       ARG  68  -7.896  -6.686   9.693
  421   1HD   ARG  68          2HD       ARG  68  -9.475  -4.441   8.401
  422   2HD   ARG  68          1HD       ARG  68  -9.838  -5.154   9.973
  423    HE   ARG  68           HE       ARG  68  -7.175  -4.366  10.038
  424   1HH1  ARG  68          1HH1      ARG  68 -10.296  -2.725   9.656
  425   2HH1  ARG  68          2HH1      ARG  68  -9.823  -1.321  10.489
  426   1HH2  ARG  68          1HH2      ARG  68  -6.513  -2.323  11.226
  427   2HH2  ARG  68          2HH2      ARG  68  -7.675  -1.112  11.369
  428    H    ASP  69           H        ASP  69  -6.085  -9.611   8.441
  429    HA   ASP  69           HA       ASP  69  -4.301  -8.492  10.494
  430   1HB   ASP  69          2HB       ASP  69  -6.408  -9.251  11.478
  431   2HB   ASP  69          1HB       ASP  69  -6.243 -10.811  10.673
  432    H    GLU  70           H        GLU  70  -4.322 -10.214   7.734
  433    HA   GLU  70           HA       GLU  70  -2.886 -12.561   8.366
  434   1HB   GLU  70          2HB       GLU  70  -4.221 -12.124   6.250
  435   2HB   GLU  70          1HB       GLU  70  -2.887 -11.123   5.710
  436   1HG   GLU  70          2HG       GLU  70  -1.398 -13.034   5.712
  437   2HG   GLU  70          1HG       GLU  70  -2.698 -14.054   6.354
  438    H    THR  71           H        THR  71  -1.732  -9.577   6.939
  439    HA   THR  71           HA       THR  71   1.006 -10.301   7.534
  440    HB   THR  71           HB       THR  71  -0.062  -7.654   6.498
  441    HG1  THR  71           HG1      THR  71   0.780  -8.581   4.467
  442   1HG2  THR  71          1HG2      THR  71   2.713  -8.858   6.426
  443   2HG2  THR  71          2HG2      THR  71   2.201  -7.536   7.473
  444   3HG2  THR  71          3HG2      THR  71   2.234  -7.315   5.716
  445    H    PHE  72           H        PHE  72   1.441 -10.285   9.659
  446    HA   PHE  72           HA       PHE  72   0.580  -7.939  11.187
  447   1HB   PHE  72          2HB       PHE  72  -0.535  -9.950  11.948
  448   2HB   PHE  72          1HB       PHE  72   0.999 -10.739  12.256
  449    HD1  PHE  72           HD1      PHE  72  -1.142  -7.889  13.272
  450    HD2  PHE  72           HD2      PHE  72   2.093 -10.457  14.341
  451    HE1  PHE  72           HE1      PHE  72  -1.177  -6.981  15.543
  452    HE2  PHE  72           HE2      PHE  72   2.063  -9.540  16.624
  453    HZ   PHE  72           HZ       PHE  72   0.416  -7.796  17.226
  454    H    GLU  73           H        GLU  73   3.444 -10.070  10.692
  455    HA   GLU  73           HA       GLU  73   4.900  -8.677  12.717
  456   1HB   GLU  73          2HB       GLU  73   6.884  -9.992  12.002
  457   2HB   GLU  73          1HB       GLU  73   5.488 -10.982  12.308
  458   1HG   GLU  73          2HG       GLU  73   5.103 -11.288   9.962
  459   2HG   GLU  73          1HG       GLU  73   6.392 -10.144   9.563
  460    H    TYR  74           H        TYR  74   4.255  -8.010   9.536
  461    HA   TYR  74           HA       TYR  74   4.736  -6.231   8.134
  462   1HB   TYR  74          2HB       TYR  74   6.586  -5.085  10.258
  463   2HB   TYR  74          1HB       TYR  74   5.750  -4.226   8.988
  464    HD1  TYR  74           HD1      TYR  74   2.994  -5.160   9.302
  465    HD2  TYR  74           HD2      TYR  74   5.848  -4.112  12.265
  466    HE1  TYR  74           HE1      TYR  74   1.171  -4.576  10.821
  467    HE2  TYR  74           HE2      TYR  74   4.028  -3.537  13.809
  468    HH   TYR  74           HH       TYR  74   1.654  -2.805  13.632
  469    H    ILE  75           H        ILE  75   7.003  -4.916   7.292
  470    HA   ILE  75           HA       ILE  75   9.270  -6.595   7.585
  471    HB   ILE  75           HB       ILE  75   8.103  -7.779   5.757
  472   1HG1  ILE  75          2HG1      ILE  75  10.466  -6.191   4.691
  473   2HG1  ILE  75          1HG1      ILE  75  10.581  -7.629   5.693
  474   1HG2  ILE  75          1HG2      ILE  75   6.711  -5.994   4.926
  475   2HG2  ILE  75          2HG2      ILE  75   7.640  -6.694   3.599
  476   3HG2  ILE  75          3HG2      ILE  75   8.114  -5.140   4.293
  477   1HD1  ILE  75          1HD1      ILE  75   9.405  -7.517   2.922
  478   2HD1  ILE  75          2HD1      ILE  75   9.559  -8.957   3.935
  479   3HD1  ILE  75          3HD1      ILE  75  11.003  -8.115   3.347
  480    H    ILE  76           H        ILE  76  11.153  -5.511   7.209
  481    HA   ILE  76           HA       ILE  76  10.871  -2.635   6.604
  482    HB   ILE  76           HB       ILE  76  12.980  -4.010   8.300
  483   1HG1  ILE  76          2HG1      ILE  76  10.860  -4.153   9.466
  484   2HG1  ILE  76          1HG1      ILE  76  11.871  -2.968  10.267
  485   1HG2  ILE  76          1HG2      ILE  76  12.385  -1.076   7.903
  486   2HG2  ILE  76          2HG2      ILE  76  13.791  -1.948   7.284
  487   3HG2  ILE  76          3HG2      ILE  76  13.573  -1.731   9.026
  488   1HD1  ILE  76          1HD1      ILE  76   9.568  -2.210  10.141
  489   2HD1  ILE  76          2HD1      ILE  76   9.595  -2.386   8.394
  490   3HD1  ILE  76          3HD1      ILE  76  10.609  -1.174   9.163
  491    H    PHE  77           H        PHE  77  12.156  -1.838   4.964
  492    HA   PHE  77           HA       PHE  77  14.056  -3.724   3.798
  493   1HB   PHE  77          2HB       PHE  77  12.551  -1.477   2.445
  494   2HB   PHE  77          1HB       PHE  77  13.848  -2.408   1.688
  495    HD1  PHE  77           HD1      PHE  77  13.558  -4.870   1.406
  496    HD2  PHE  77           HD2      PHE  77  10.360  -2.298   2.522
  497    HE1  PHE  77           HE1      PHE  77  11.955  -6.592   0.750
  498    HE2  PHE  77           HE2      PHE  77   8.752  -4.038   1.848
  499    HZ   PHE  77           HZ       PHE  77   9.544  -6.170   0.965
  500    H    ARG  78           H        ARG  78  16.085  -2.973   3.113
  501    HA   ARG  78           HA       ARG  78  17.206  -1.209   5.011
  502   1HB   ARG  78          2HB       ARG  78  18.503  -2.510   2.617
  503   2HB   ARG  78          1HB       ARG  78  19.333  -1.719   3.935
  504   1HG   ARG  78          2HG       ARG  78  17.628  -4.179   4.188
  505   2HG   ARG  78          1HG       ARG  78  19.396  -4.153   4.157
  506   1HD   ARG  78          2HD       ARG  78  19.355  -2.741   6.206
  507   2HD   ARG  78          1HD       ARG  78  17.595  -2.910   6.204
  508    HE   ARG  78           HE       ARG  78  18.100  -5.403   6.302
  509   1HH1  ARG  78          1HH1      ARG  78  19.967  -2.916   7.995
  510   2HH1  ARG  78          2HH1      ARG  78  20.552  -4.002   9.189
  511   1HH2  ARG  78          1HH2      ARG  78  18.835  -6.837   7.999
  512   2HH2  ARG  78          2HH2      ARG  78  19.886  -6.226   9.206
  513    H    GLY  79           H        GLY  79  15.719  -0.455   2.116
  514   1HA   GLY  79          2HA       GLY  79  15.424   1.700   1.223
  515   2HA   GLY  79          1HA       GLY  79  16.646   2.287   2.324
  516    H    SER  80           H        SER  80  18.845   1.212   1.765
  517    HA   SER  80           HA       SER  80  19.694   2.189  -0.773
  518   1HB   SER  80          2HB       SER  80  21.838   1.036  -0.114
  519   2HB   SER  80          1HB       SER  80  21.194   2.161   1.082
  520    HG   SER  80           HG       SER  80  20.704  -0.675   1.196
  521    H    ASP  81           H        ASP  81  17.977  -0.433  -0.123
  522    HA   ASP  81           HA       ASP  81  19.149  -2.192  -2.185
  523   1HB   ASP  81          2HB       ASP  81  17.678  -2.830   0.361
  524   2HB   ASP  81          1HB       ASP  81  18.084  -4.032  -0.852
  525    H    ILE  82           H        ILE  82  16.875  -0.020  -2.233
  526    HA   ILE  82           HA       ILE  82  14.773  -1.811  -3.186
  527    HB   ILE  82           HB       ILE  82  13.292   0.148  -3.295
  528   1HG1  ILE  82          2HG1      ILE  82  15.603   1.701  -2.090
  529   2HG1  ILE  82          1HG1      ILE  82  15.033   1.901  -3.734
  530   1HG2  ILE  82          1HG2      ILE  82  13.066   0.535  -0.872
  531   2HG2  ILE  82          2HG2      ILE  82  14.644  -0.216  -0.614
  532   3HG2  ILE  82          3HG2      ILE  82  13.304  -1.157  -1.275
  533   1HD1  ILE  82          1HD1      ILE  82  14.222   3.670  -2.288
  534   2HD1  ILE  82          2HD1      ILE  82  13.467   2.478  -1.226
  535   3HD1  ILE  82          3HD1      ILE  82  12.880   2.681  -2.873
  536    H    LYS  83           H        LYS  83  14.106  -1.913  -5.245
  537    HA   LYS  83           HA       LYS  83  15.816  -0.634  -7.247
  538   1HB   LYS  83          2HB       LYS  83  13.650  -2.714  -7.594
  539   2HB   LYS  83          1HB       LYS  83  14.658  -2.076  -8.864
  540   1HG   LYS  83          2HG       LYS  83  15.655  -3.642  -6.498
  541   2HG   LYS  83          1HG       LYS  83  15.387  -4.273  -8.134
  542   1HD   LYS  83          2HD       LYS  83  17.047  -2.629  -8.980
  543   2HD   LYS  83          1HD       LYS  83  17.344  -2.133  -7.310
  544   1HE   LYS  83          2HE       LYS  83  19.070  -3.679  -7.973
  545   2HE   LYS  83          1HE       LYS  83  18.046  -4.451  -6.777
  546   1HZ   LYS  83          1HZ       LYS  83  17.854  -4.888  -9.711
  547   2HZ   LYS  83          2HZ       LYS  83  16.908  -5.682  -8.601
  548   3HZ   LYS  83          3HZ       LYS  83  18.593  -5.926  -8.633
  549    H    ASP  84           H        ASP  84  12.371  -1.131  -6.646
  550    HA   ASP  84           HA       ASP  84  11.829   1.337  -8.152
  551   1HB   ASP  84          2HB       ASP  84  10.350  -1.291  -8.236
  552   2HB   ASP  84          1HB       ASP  84   9.599   0.213  -8.736
  553    H    LEU  85           H        LEU  85  10.482   2.709  -7.311
  554    HA   LEU  85           HA       LEU  85   8.869   2.198  -4.860
  555   1HB   LEU  85          2HB       LEU  85  11.149   2.970  -4.179
  556   2HB   LEU  85          1HB       LEU  85  10.991   4.330  -5.276
  557    HG   LEU  85           HG       LEU  85   9.089   5.140  -3.836
  558   1HD1  LEU  85          1HD1      LEU  85   8.806   4.204  -1.636
  559   2HD1  LEU  85          2HD1      LEU  85  10.042   2.995  -1.974
  560   3HD1  LEU  85          3HD1      LEU  85   8.522   2.962  -2.865
  561   1HD2  LEU  85          1HD2      LEU  85  11.349   6.036  -3.606
  562   2HD2  LEU  85          2HD2      LEU  85  11.747   4.741  -2.484
  563   3HD2  LEU  85          3HD2      LEU  85  10.545   5.942  -2.038
  564    H    THR  86           H        THR  86   6.957   2.613  -5.891
  565    HA   THR  86           HA       THR  86   6.743   5.286  -7.032
  566    HB   THR  86           HB       THR  86   5.737   2.783  -8.441
  567    HG1  THR  86           HG1      THR  86   8.078   4.144  -8.484
  568   1HG2  THR  86          1HG2      THR  86   4.293   4.760  -8.788
  569   2HG2  THR  86          2HG2      THR  86   5.152   4.318 -10.267
  570   3HG2  THR  86          3HG2      THR  86   5.699   5.693  -9.304
  571    H    VAL  87           H        VAL  87   4.909   6.279  -6.505
  572    HA   VAL  87           HA       VAL  87   3.035   4.941  -4.738
  573    HB   VAL  87           HB       VAL  87   3.029   7.808  -5.732
  574   1HG1  VAL  87          1HG1      VAL  87   1.591   8.254  -3.794
  575   2HG1  VAL  87          2HG1      VAL  87   1.612   6.529  -3.404
  576   3HG1  VAL  87          3HG1      VAL  87   0.888   7.079  -4.914
  577   1HG2  VAL  87          1HG2      VAL  87   4.060   8.414  -3.586
  578   2HG2  VAL  87          2HG2      VAL  87   5.097   7.319  -4.507
  579   3HG2  VAL  87          3HG2      VAL  87   4.153   6.716  -3.149
  580    H    CYS  88           H        CYS  88   1.014   4.280  -5.363
  581    HA   CYS  88           HA       CYS  88   0.439   4.507  -8.163
  582   1HB   CYS  88          2HB       CYS  88  -1.408   2.874  -7.609
  583   2HB   CYS  88          1HB       CYS  88   0.231   2.312  -7.324
  584    HG   CYS  88           HG       CYS  88  -2.275   2.543  -5.161
  585    H    GLU  89           H        GLU  89  -0.815   5.797  -5.161
  586    HA   GLU  89           HA       GLU  89  -2.687   7.336  -6.761
  587   1HB   GLU  89          2HB       GLU  89  -4.278   7.323  -4.784
  588   2HB   GLU  89          1HB       GLU  89  -4.097   5.783  -5.618
  589   1HG   GLU  89          2HG       GLU  89  -2.549   5.060  -3.820
  590   2HG   GLU  89          1HG       GLU  89  -2.835   6.587  -3.006
  591    HA   PRO  90           HA       PRO  90  -0.022  10.434  -4.843
  592   1HB   PRO  90          2HB       PRO  90  -1.162  12.272  -6.802
  593   2HB   PRO  90          1HB       PRO  90   0.506  11.724  -6.659
  594   1HG   PRO  90          2HG       PRO  90  -1.151  10.983  -8.690
  595   2HG   PRO  90          1HG       PRO  90   0.179   9.965  -8.114
  596   1HD   PRO  90          2HD       PRO  90  -2.753   9.772  -7.581
  597   2HD   PRO  90          1HD       PRO  90  -1.561   8.482  -7.837
  598    HA   PRO  91           HA       PRO  91  -3.587  12.200  -2.675
  599   1HB   PRO  91          2HB       PRO  91  -2.472  12.269  -0.235
  600   2HB   PRO  91          1HB       PRO  91  -3.090  10.766  -0.940
  601   1HG   PRO  91          2HG       PRO  91  -0.303  11.682  -0.553
  602   2HG   PRO  91          1HG       PRO  91  -0.929  10.027  -0.636
  603   1HD   PRO  91          2HD       PRO  91   0.360  11.486  -2.721
  604   2HD   PRO  91          1HD       PRO  91  -0.418   9.907  -2.844
  605    H    LYS  92           H        LYS  92  -3.879  14.297  -3.134
  606    HA   LYS  92           HA       LYS  92  -2.013  16.212  -1.934
  607   1HB   LYS  92          2HB       LYS  92  -3.646  16.530  -4.462
  608   2HB   LYS  92          1HB       LYS  92  -2.951  17.901  -3.617
  609   1HG   LYS  92          2HG       LYS  92  -0.696  16.931  -3.947
  610   2HG   LYS  92          1HG       LYS  92  -1.436  15.599  -4.833
  611   1HD   LYS  92          2HD       LYS  92  -2.216  17.066  -6.550
  612   2HD   LYS  92          1HD       LYS  92  -1.748  18.487  -5.630
  613   1HE   LYS  92          2HE       LYS  92  -0.152  18.075  -7.426
  614   2HE   LYS  92          1HE       LYS  92   0.602  17.887  -5.854
  615   1HZ   LYS  92          1HZ       LYS  92   1.256  16.206  -7.417
  616   2HZ   LYS  92          2HZ       LYS  92  -0.308  15.643  -7.589
  617   3HZ   LYS  92          3HZ       LYS  92   0.515  15.527  -6.083
  618    HA   PRO  93           HA       PRO  93  -5.786  16.841   0.473
  619   1HB   PRO  93          2HB       PRO  93  -4.040  17.676   2.623
  620   2HB   PRO  93          1HB       PRO  93  -5.051  16.215   2.533
  621   1HG   PRO  93          2HG       PRO  93  -2.298  16.166   2.499
  622   2HG   PRO  93          1HG       PRO  93  -3.322  14.930   1.774
  623   1HD   PRO  93          2HD       PRO  93  -1.898  17.211   0.448
  624   2HD   PRO  93          1HD       PRO  93  -2.120  15.524  -0.102
  625    H    ILE  94           H        ILE  94  -2.952  18.964   0.832
  626    HA   ILE  94           HA       ILE  94  -4.729  21.289   0.601
  627    HB   ILE  94           HB       ILE  94  -2.308  21.025   2.417
  628   1HG1  ILE  94          2HG1      ILE  94  -4.353  19.945   3.327
  629   2HG1  ILE  94          1HG1      ILE  94  -3.874  21.326   4.296
  630   1HG2  ILE  94          1HG2      ILE  94  -4.011  23.477   1.933
  631   2HG2  ILE  94          2HG2      ILE  94  -2.316  23.245   1.516
  632   3HG2  ILE  94          3HG2      ILE  94  -2.803  23.307   3.209
  633   1HD1  ILE  94          1HD1      ILE  94  -6.266  21.256   4.029
  634   2HD1  ILE  94          2HD1      ILE  94  -6.101  21.212   2.286
  635   3HD1  ILE  94          3HD1      ILE  94  -5.603  22.655   3.181
  636    H    MET  95           H        MET  95  -1.238  20.785   0.812
  637    HA   MET  95           HA       MET  95   0.541  21.413  -0.389
  638   1HB   MET  95          2HB       MET  95  -0.406  19.963  -2.128
  639   2HB   MET  95          1HB       MET  95  -1.363  21.303  -2.755
  640   1HG   MET  95          2HG       MET  95   0.727  22.475  -3.346
  641   2HG   MET  95          1HG       MET  95   1.662  21.136  -2.716
  642   1HE   MET  95          1HE       MET  95   2.243  20.790  -6.561
  643   2HE   MET  95          2HE       MET  95   3.000  20.957  -4.964
  644   3HE   MET  95          3HE       MET  95   2.087  22.292  -5.643
  Start of MODEL    8
    1    HA   PRO  16           HA       PRO  16 -10.068  -0.057   7.575
    2   1HB   PRO  16          2HB       PRO  16  -9.879  -1.319   9.942
    3   2HB   PRO  16          1HB       PRO  16 -10.825  -1.992   8.611
    4   1HG   PRO  16          2HG       PRO  16  -8.055  -2.708   9.494
    5   2HG   PRO  16          1HG       PRO  16  -9.393  -3.781   9.062
    6   1HD   PRO  16          2HD       PRO  16  -7.373  -3.190   7.349
    7   2HD   PRO  16          1HD       PRO  16  -9.026  -3.541   6.815
    8    H    TYR  17           H        TYR  17  -6.880  -0.048   7.414
    9    HA   TYR  17           HA       TYR  17  -6.576   1.926   9.524
   10   1HB   TYR  17          2HB       TYR  17  -4.633  -0.363   9.059
   11   2HB   TYR  17          1HB       TYR  17  -4.301   1.050  10.047
   12    HD1  TYR  17           HD1      TYR  17  -5.440   1.333  12.205
   13    HD2  TYR  17           HD2      TYR  17  -6.023  -2.154   9.852
   14    HE1  TYR  17           HE1      TYR  17  -6.387   0.180  14.169
   15    HE2  TYR  17           HE2      TYR  17  -6.975  -3.311  11.796
   16    HH   TYR  17           HH       TYR  17  -7.833  -1.685  14.671
   17    H    ILE  18           H        ILE  18  -5.418   3.606   8.948
   18    HA   ILE  18           HA       ILE  18  -5.097   4.101   6.171
   19    HB   ILE  18           HB       ILE  18  -5.847   5.763   7.858
   20   1HG1  ILE  18          2HG1      ILE  18  -3.376   6.622   6.338
   21   2HG1  ILE  18          1HG1      ILE  18  -4.955   6.409   5.610
   22   1HG2  ILE  18          1HG2      ILE  18  -4.153   6.949   9.214
   23   2HG2  ILE  18          2HG2      ILE  18  -2.933   5.809   8.660
   24   3HG2  ILE  18          3HG2      ILE  18  -4.274   5.241   9.664
   25   1HD1  ILE  18          1HD1      ILE  18  -5.843   8.138   7.030
   26   2HD1  ILE  18          2HD1      ILE  18  -4.491   8.727   6.052
   27   3HD1  ILE  18          3HD1      ILE  18  -4.257   8.380   7.771
   28    H    GLY  19           H        GLY  19  -3.158   4.949   5.140
   29   1HA   GLY  19          2HA       GLY  19  -0.588   4.932   6.036
   30   2HA   GLY  19          1HA       GLY  19  -0.884   3.309   5.412
   31    H    SER  20           H        SER  20   0.914   4.597   3.983
   32    HA   SER  20           HA       SER  20  -0.499   5.942   1.829
   33   1HB   SER  20          2HB       SER  20   1.642   6.934   2.643
   34   2HB   SER  20          1HB       SER  20   2.489   5.461   2.200
   35    HG   SER  20           HG       SER  20   1.850   7.559   0.648
   36    H    LYS  21           H        LYS  21  -0.941   4.936  -0.100
   37    HA   LYS  21           HA       LYS  21  -0.480   2.052  -0.204
   38   1HB   LYS  21          2HB       LYS  21  -2.144   3.930  -1.912
   39   2HB   LYS  21          1HB       LYS  21  -2.073   2.201  -2.160
   40   1HG   LYS  21          2HG       LYS  21  -2.936   3.402   0.445
   41   2HG   LYS  21          1HG       LYS  21  -4.100   3.151  -0.872
   42   1HD   LYS  21          2HD       LYS  21  -3.677   0.749  -0.770
   43   2HD   LYS  21          1HD       LYS  21  -2.396   0.992   0.408
   44   1HE   LYS  21          2HE       LYS  21  -4.438   0.175   1.502
   45   2HE   LYS  21          1HE       LYS  21  -4.061   1.783   2.072
   46   1HZ   LYS  21          1HZ       LYS  21  -5.806   2.668   0.620
   47   2HZ   LYS  21          2HZ       LYS  21  -6.436   1.494   1.637
   48   3HZ   LYS  21          3HZ       LYS  21  -6.121   1.119   0.039
   49    H    ILE  22           H        ILE  22   1.337   1.351  -1.239
   50    HA   ILE  22           HA       ILE  22   2.239   2.877  -3.573
   51    HB   ILE  22           HB       ILE  22   4.497   3.057  -2.918
   52   1HG1  ILE  22          2HG1      ILE  22   4.808   0.918  -1.797
   53   2HG1  ILE  22          1HG1      ILE  22   5.489   2.217  -0.838
   54   1HG2  ILE  22          1HG2      ILE  22   2.873   3.904  -0.547
   55   2HG2  ILE  22          2HG2      ILE  22   3.183   4.851  -1.993
   56   3HG2  ILE  22          3HG2      ILE  22   4.512   4.445  -0.892
   57   1HD1  ILE  22          1HD1      ILE  22   4.407   0.633   0.614
   58   2HD1  ILE  22          2HD1      ILE  22   2.932   0.695  -0.339
   59   3HD1  ILE  22          3HD1      ILE  22   3.420   2.111   0.591
   60    H    SER  23           H        SER  23   4.209   1.727  -4.468
   61    HA   SER  23           HA       SER  23   4.000  -1.170  -4.204
   62   1HB   SER  23          2HB       SER  23   4.079   0.281  -6.863
   63   2HB   SER  23          1HB       SER  23   3.904  -1.453  -6.583
   64    HG   SER  23           HG       SER  23   1.843  -1.203  -6.313
   65    H    LEU  24           H        LEU  24   6.045  -1.739  -3.651
   66    HA   LEU  24           HA       LEU  24   8.263  -0.344  -4.969
   67   1HB   LEU  24          2HB       LEU  24   8.209   0.493  -2.707
   68   2HB   LEU  24          1HB       LEU  24   8.026  -1.124  -2.053
   69    HG   LEU  24           HG       LEU  24  10.543  -0.453  -3.541
   70   1HD1  LEU  24          1HD1      LEU  24  10.133   1.442  -2.021
   71   2HD1  LEU  24          2HD1      LEU  24  11.497   0.457  -1.564
   72   3HD1  LEU  24          3HD1      LEU  24   9.975   0.322  -0.654
   73   1HD2  LEU  24          1HD2      LEU  24  10.135  -2.690  -2.707
   74   2HD2  LEU  24          2HD2      LEU  24   9.916  -2.049  -1.079
   75   3HD2  LEU  24          3HD2      LEU  24  11.501  -1.927  -1.879
   76    H    ILE  25           H        ILE  25  10.080  -1.578  -5.507
   77    HA   ILE  25           HA       ILE  25   9.711  -4.459  -5.141
   78    HB   ILE  25           HB       ILE  25  11.040  -3.059  -7.488
   79   1HG1  ILE  25          2HG1      ILE  25   8.420  -4.576  -7.327
   80   2HG1  ILE  25          1HG1      ILE  25   8.566  -2.841  -7.472
   81   1HG2  ILE  25          1HG2      ILE  25  12.086  -5.194  -6.957
   82   2HG2  ILE  25          2HG2      ILE  25  11.165  -5.366  -8.449
   83   3HG2  ILE  25          3HG2      ILE  25  10.526  -5.996  -6.935
   84   1HD1  ILE  25          1HD1      ILE  25   7.980  -3.852  -9.571
   85   2HD1  ILE  25          2HD1      ILE  25   9.438  -4.858  -9.533
   86   3HD1  ILE  25          3HD1      ILE  25   9.569  -3.103  -9.687
   87    H    SER  26           H        SER  26  11.225  -5.482  -4.135
   88    HA   SER  26           HA       SER  26  13.509  -4.150  -2.999
   89   1HB   SER  26          2HB       SER  26  12.248  -5.859  -1.743
   90   2HB   SER  26          1HB       SER  26  12.642  -7.062  -2.962
   91    HG   SER  26           HG       SER  26  13.996  -7.152  -1.096
   92    H    LYS  27           H        LYS  27  15.723  -5.054  -3.229
   93    HA   LYS  27           HA       LYS  27  16.728  -4.838  -5.795
   94   1HB   LYS  27          2HB       LYS  27  18.873  -5.537  -5.094
   95   2HB   LYS  27          1HB       LYS  27  18.169  -4.840  -3.663
   96   1HG   LYS  27          2HG       LYS  27  18.304  -7.831  -4.226
   97   2HG   LYS  27          1HG       LYS  27  19.501  -6.951  -3.292
   98   1HD   LYS  27          2HD       LYS  27  16.576  -7.116  -2.576
   99   2HD   LYS  27          1HD       LYS  27  17.795  -8.237  -1.953
  100   1HE   LYS  27          2HE       LYS  27  17.809  -5.279  -1.664
  101   2HE   LYS  27          1HE       LYS  27  17.280  -6.392  -0.397
  102   1HZ   LYS  27          1HZ       LYS  27  20.044  -6.259  -1.553
  103   2HZ   LYS  27          2HZ       LYS  27  19.577  -7.309  -0.356
  104   3HZ   LYS  27          3HZ       LYS  27  19.605  -5.646  -0.075
  105    H    ALA  28           H        ALA  28  15.591  -7.737  -4.275
  106    HA   ALA  28           HA       ALA  28  16.653  -9.571  -6.234
  107   1HB   ALA  28          1HB       ALA  28  14.721 -10.023  -3.976
  108   2HB   ALA  28          2HB       ALA  28  16.473 -10.174  -3.861
  109   3HB   ALA  28          3HB       ALA  28  15.555 -11.283  -4.876
  110    H    GLU  29           H        GLU  29  14.510  -7.422  -6.714
  111    HA   GLU  29           HA       GLU  29  12.905  -7.031  -8.209
  112   1HB   GLU  29          2HB       GLU  29  14.247  -8.669  -9.649
  113   2HB   GLU  29          1HB       GLU  29  13.198  -9.937  -9.081
  114   1HG   GLU  29          2HG       GLU  29  11.282  -8.800 -10.128
  115   2HG   GLU  29          1HG       GLU  29  12.387  -7.548 -10.719
  116    H    ILE  30           H        ILE  30  12.440  -8.018  -5.567
  117    HA   ILE  30           HA       ILE  30   9.923  -9.505  -5.862
  118    HB   ILE  30           HB       ILE  30  11.358  -8.826  -3.274
  119   1HG1  ILE  30          2HG1      ILE  30  12.617 -10.466  -4.631
  120   2HG1  ILE  30          1HG1      ILE  30  11.959 -11.226  -3.198
  121   1HG2  ILE  30          1HG2      ILE  30   9.778 -10.377  -2.225
  122   2HG2  ILE  30          2HG2      ILE  30   8.952 -10.540  -3.782
  123   3HG2  ILE  30          3HG2      ILE  30   8.975  -8.988  -2.965
  124   1HD1  ILE  30          1HD1      ILE  30  11.746 -12.685  -5.107
  125   2HD1  ILE  30          2HD1      ILE  30  10.896 -11.440  -6.001
  126   3HD1  ILE  30          3HD1      ILE  30  10.137 -12.171  -4.585
  127    H    ARG  31           H        ARG  31   8.106  -8.552  -5.892
  128    HA   ARG  31           HA       ARG  31   7.968  -5.697  -5.415
  129   1HB   ARG  31          2HB       ARG  31   6.982  -6.629  -7.438
  130   2HB   ARG  31          1HB       ARG  31   5.908  -7.640  -6.476
  131   1HG   ARG  31          2HG       ARG  31   4.995  -5.523  -5.470
  132   2HG   ARG  31          1HG       ARG  31   5.922  -4.641  -6.667
  133   1HD   ARG  31          2HD       ARG  31   3.793  -6.692  -7.284
  134   2HD   ARG  31          1HD       ARG  31   3.592  -4.952  -7.258
  135    HE   ARG  31           HE       ARG  31   5.572  -6.075  -9.068
  136   1HH1  ARG  31          1HH1      ARG  31   2.387  -4.588  -8.517
  137   2HH1  ARG  31          2HH1      ARG  31   2.080  -4.181 -10.101
  138   1HH2  ARG  31          1HH2      ARG  31   5.187  -5.599 -11.335
  139   2HH2  ARG  31          2HH2      ARG  31   3.754  -4.814 -11.817
  140    H    TYR  32           H        TYR  32   6.885  -4.729  -3.793
  141    HA   TYR  32           HA       TYR  32   5.062  -6.276  -2.116
  142   1HB   TYR  32          2HB       TYR  32   7.217  -4.409  -1.115
  143   2HB   TYR  32          1HB       TYR  32   5.868  -4.953  -0.155
  144    HD1  TYR  32           HD1      TYR  32   9.096  -5.820  -1.515
  145    HD2  TYR  32           HD2      TYR  32   5.665  -7.310   0.494
  146    HE1  TYR  32           HE1      TYR  32  10.369  -7.816  -0.820
  147    HE2  TYR  32           HE2      TYR  32   6.921  -9.303   1.199
  148    HH   TYR  32           HH       TYR  32  10.285  -9.485   0.935
  149    H    GLU  33           H        GLU  33   3.180  -5.359  -2.091
  150    HA   GLU  33           HA       GLU  33   3.013  -2.458  -2.381
  151   1HB   GLU  33          2HB       GLU  33   1.122  -4.501  -3.566
  152   2HB   GLU  33          1HB       GLU  33   1.013  -2.748  -3.714
  153   1HG   GLU  33          2HG       GLU  33   3.034  -2.630  -4.980
  154   2HG   GLU  33          1HG       GLU  33   3.318  -4.366  -4.820
  155    H    GLY  34           H        GLY  34   1.347  -1.479  -1.077
  156   1HA   GLY  34          2HA       GLY  34  -0.487  -2.689   0.544
  157   2HA   GLY  34          1HA       GLY  34   1.037  -2.980   1.307
  158    H    ILE  35           H        ILE  35   0.598  -1.629   3.076
  159    HA   ILE  35           HA       ILE  35   0.689   1.047   2.205
  160    HB   ILE  35           HB       ILE  35  -0.101   1.649   4.539
  161   1HG1  ILE  35          2HG1      ILE  35  -0.141  -0.690   5.433
  162   2HG1  ILE  35          1HG1      ILE  35  -1.630   0.233   5.636
  163   1HG2  ILE  35          1HG2      ILE  35  -2.449   1.637   3.752
  164   2HG2  ILE  35          2HG2      ILE  35  -1.932   0.623   2.410
  165   3HG2  ILE  35          3HG2      ILE  35  -1.280   2.246   2.586
  166   1HD1  ILE  35          1HD1      ILE  35  -2.683  -1.018   3.840
  167   2HD1  ILE  35          2HD1      ILE  35  -2.006  -2.143   5.017
  168   3HD1  ILE  35          3HD1      ILE  35  -1.165  -1.842   3.503
  169    H    LEU  36           H        LEU  36   2.220   2.107   2.545
  170    HA   LEU  36           HA       LEU  36   4.530   1.450   4.101
  171   1HB   LEU  36          2HB       LEU  36   4.684   2.791   2.041
  172   2HB   LEU  36          1HB       LEU  36   3.683   4.027   2.741
  173    HG   LEU  36           HG       LEU  36   6.131   4.587   2.518
  174   1HD1  LEU  36          1HD1      LEU  36   6.396   5.610   4.703
  175   2HD1  LEU  36          2HD1      LEU  36   5.052   4.639   5.314
  176   3HD1  LEU  36          3HD1      LEU  36   4.762   5.849   4.062
  177   1HD2  LEU  36          1HD2      LEU  36   6.400   2.543   4.702
  178   2HD2  LEU  36          2HD2      LEU  36   7.669   3.636   4.165
  179   3HD2  LEU  36          3HD2      LEU  36   7.037   2.406   3.069
  180    H    TYR  37           H        TYR  37   5.112   2.077   6.095
  181    HA   TYR  37           HA       TYR  37   3.020   3.366   7.683
  182   1HB   TYR  37          2HB       TYR  37   3.579   1.073   8.306
  183   2HB   TYR  37          1HB       TYR  37   5.268   1.507   8.485
  184    HD1  TYR  37           HD1      TYR  37   1.892   2.227   9.858
  185    HD2  TYR  37           HD2      TYR  37   6.086   2.186  10.588
  186    HE1  TYR  37           HE1      TYR  37   1.476   2.743  12.211
  187    HE2  TYR  37           HE2      TYR  37   5.688   2.701  12.945
  188    HH   TYR  37           HH       TYR  37   2.595   2.532  14.367
  189    H    THR  38           H        THR  38   6.603   3.278   7.284
  190    HA   THR  38           HA       THR  38   6.800   6.106   7.814
  191    HB   THR  38           HB       THR  38   8.109   4.106   9.722
  192    HG1  THR  38           HG1      THR  38   5.703   5.263   9.763
  193   1HG2  THR  38          1HG2      THR  38   9.492   6.113   9.348
  194   2HG2  THR  38          2HG2      THR  38   8.871   6.081  10.999
  195   3HG2  THR  38          3HG2      THR  38   8.134   7.143   9.797
  196    H    ILE  39           H        ILE  39   8.978   6.910   7.265
  197    HA   ILE  39           HA       ILE  39  10.802   4.930   6.128
  198    HB   ILE  39           HB       ILE  39  10.125   7.604   4.841
  199   1HG1  ILE  39          2HG1      ILE  39   9.567   4.779   3.913
  200   2HG1  ILE  39          1HG1      ILE  39   8.377   5.934   4.474
  201   1HG2  ILE  39          1HG2      ILE  39  12.056   5.436   3.948
  202   2HG2  ILE  39          2HG2      ILE  39  12.496   7.008   4.602
  203   3HG2  ILE  39          3HG2      ILE  39  11.678   6.905   3.039
  204   1HD1  ILE  39          1HD1      ILE  39   8.334   5.809   2.049
  205   2HD1  ILE  39          2HD1      ILE  39  10.055   6.237   1.994
  206   3HD1  ILE  39          3HD1      ILE  39   8.882   7.400   2.594
  207    H    ASP  40           H        ASP  40  12.595   5.079   7.213
  208    HA   ASP  40           HA       ASP  40  13.192   7.426   8.768
  209   1HB   ASP  40          2HB       ASP  40  14.969   5.022   8.237
  210   2HB   ASP  40          1HB       ASP  40  15.211   6.230   9.492
  211    H    THR  41           H        THR  41  13.580   9.051   7.400
  212    HA   THR  41           HA       THR  41  14.850   8.870   4.919
  213    HB   THR  41           HB       THR  41  14.570  11.300   6.688
  214    HG1  THR  41           HG1      THR  41  12.717   9.659   5.641
  215   1HG2  THR  41          1HG2      THR  41  14.653  11.026   3.656
  216   2HG2  THR  41          2HG2      THR  41  15.961  11.629   4.662
  217   3HG2  THR  41          3HG2      THR  41  14.445  12.530   4.558
  218    H    GLU  42           H        GLU  42  16.208   9.023   8.098
  219    HA   GLU  42           HA       GLU  42  18.651  10.300   7.604
  220   1HB   GLU  42          2HB       GLU  42  18.256   8.002   9.552
  221   2HB   GLU  42          1HB       GLU  42  19.488   9.271   9.581
  222   1HG   GLU  42          2HG       GLU  42  16.541   9.664  10.046
  223   2HG   GLU  42          1HG       GLU  42  17.782   9.661  11.307
  224    H    ASN  43           H        ASN  43  17.677   6.913   7.115
  225    HA   ASN  43           HA       ASN  43  20.209   6.349   5.624
  226   1HB   ASN  43          2HB       ASN  43  20.142   5.192   7.889
  227   2HB   ASN  43          1HB       ASN  43  18.673   4.383   7.388
  228   1HD2  ASN  43          1HD2      ASN  43  22.127   4.570   7.018
  229   2HD2  ASN  43          2HD2      ASN  43  22.311   3.062   6.182
  230    H    SER  44           H        SER  44  17.031   6.782   5.426
  231    HA   SER  44           HA       SER  44  15.523   6.599   3.780
  232   1HB   SER  44          2HB       SER  44  17.749   5.301   2.180
  233   2HB   SER  44          1HB       SER  44  16.189   5.813   1.527
  234    HG   SER  44           HG       SER  44  18.051   7.470   2.842
  235    H    THR  45           H        THR  45  16.109   4.391   5.782
  236    HA   THR  45           HA       THR  45  15.353   2.023   4.452
  237    HB   THR  45           HB       THR  45  15.012   1.103   6.691
  238    HG1  THR  45           HG1      THR  45  14.495   3.028   7.934
  239   1HG2  THR  45          1HG2      THR  45  17.151   0.938   5.636
  240   2HG2  THR  45          2HG2      THR  45  17.343   1.185   7.370
  241   3HG2  THR  45          3HG2      THR  45  17.632   2.528   6.258
  242    H    VAL  46           H        VAL  46  13.454   1.097   4.217
  243    HA   VAL  46           HA       VAL  46  11.163   2.873   4.589
  244    HB   VAL  46           HB       VAL  46  11.448   0.526   2.690
  245   1HG1  VAL  46          1HG1      VAL  46   9.543   1.459   1.535
  246   2HG1  VAL  46          2HG1      VAL  46   9.394   2.723   2.760
  247   3HG1  VAL  46          3HG1      VAL  46   9.132   1.035   3.196
  248   1HG2  VAL  46          1HG2      VAL  46  11.757   2.197   0.917
  249   2HG2  VAL  46          2HG2      VAL  46  13.044   2.278   2.114
  250   3HG2  VAL  46          3HG2      VAL  46  11.751   3.473   2.125
  251    H    ALA  47           H        ALA  47   9.668   2.311   6.099
  252    HA   ALA  47           HA       ALA  47   9.680  -0.425   7.139
  253   1HB   ALA  47          1HB       ALA  47  10.139   1.356   8.769
  254   2HB   ALA  47          2HB       ALA  47   8.626   0.525   9.130
  255   3HB   ALA  47          3HB       ALA  47   8.600   2.108   8.353
  256    H    LEU  48           H        LEU  48   8.126  -1.701   6.433
  257    HA   LEU  48           HA       LEU  48   5.579  -0.604   5.470
  258   1HB   LEU  48          2HB       LEU  48   7.190  -3.015   4.841
  259   2HB   LEU  48          1HB       LEU  48   5.445  -3.064   4.715
  260    HG   LEU  48           HG       LEU  48   6.612  -2.660   2.563
  261   1HD1  LEU  48          1HD1      LEU  48   4.304  -1.999   2.807
  262   2HD1  LEU  48          2HD1      LEU  48   5.155  -0.784   1.853
  263   3HD1  LEU  48          3HD1      LEU  48   4.812  -0.498   3.562
  264   1HD2  LEU  48          1HD2      LEU  48   7.556  -0.447   2.141
  265   2HD2  LEU  48          2HD2      LEU  48   8.425  -1.307   3.432
  266   3HD2  LEU  48          3HD2      LEU  48   7.289  -0.038   3.841
  267    H    ALA  49           H        ALA  49   3.662  -1.316   6.272
  268    HA   ALA  49           HA       ALA  49   3.574  -3.486   8.199
  269   1HB   ALA  49          1HB       ALA  49   2.503  -2.103   9.929
  270   2HB   ALA  49          2HB       ALA  49   2.767  -0.664   8.955
  271   3HB   ALA  49          3HB       ALA  49   4.148  -1.550   9.610
  272    H    LYS  50           H        LYS  50   1.628  -4.505   8.144
  273    HA   LYS  50           HA       LYS  50  -0.513  -5.085   7.596
  274   1HB   LYS  50          2HB       LYS  50  -1.046  -2.193   6.831
  275   2HB   LYS  50          1HB       LYS  50  -2.218  -3.422   7.329
  276   1HG   LYS  50          2HG       LYS  50  -1.275  -3.372   9.591
  277   2HG   LYS  50          1HG       LYS  50  -0.121  -2.156   9.041
  278   1HD   LYS  50          2HD       LYS  50  -3.115  -1.861   9.124
  279   2HD   LYS  50          1HD       LYS  50  -1.989  -1.139  10.262
  280   1HE   LYS  50          2HE       LYS  50  -2.226  -0.500   7.317
  281   2HE   LYS  50          1HE       LYS  50  -2.711   0.505   8.666
  282   1HZ   LYS  50          1HZ       LYS  50  -0.362   0.650   9.360
  283   2HZ   LYS  50          2HZ       LYS  50  -0.684   1.296   7.857
  284   3HZ   LYS  50          3HZ       LYS  50   0.093  -0.212   7.953
  285    H    VAL  51           H        VAL  51   1.673  -4.887   5.738
  286    HA   VAL  51           HA       VAL  51   0.997  -3.858   3.169
  287    HB   VAL  51           HB       VAL  51   2.867  -6.149   3.721
  288   1HG1  VAL  51          1HG1      VAL  51   2.562  -5.759   1.353
  289   2HG1  VAL  51          2HG1      VAL  51   4.190  -5.360   1.818
  290   3HG1  VAL  51          3HG1      VAL  51   3.022  -4.069   1.533
  291   1HG2  VAL  51          1HG2      VAL  51   4.629  -4.539   4.051
  292   2HG2  VAL  51          2HG2      VAL  51   3.424  -4.469   5.316
  293   3HG2  VAL  51          3HG2      VAL  51   3.455  -3.225   4.060
  294    H    ARG  52           H        ARG  52  -0.625  -4.860   1.847
  295    HA   ARG  52           HA       ARG  52  -0.518  -7.637   1.385
  296   1HB   ARG  52          2HB       ARG  52  -1.824  -7.078   3.669
  297   2HB   ARG  52          1HB       ARG  52  -3.154  -6.863   2.535
  298   1HG   ARG  52          2HG       ARG  52  -2.801  -9.144   1.696
  299   2HG   ARG  52          1HG       ARG  52  -1.466  -9.333   2.836
  300   1HD   ARG  52          2HD       ARG  52  -3.109  -8.840   4.677
  301   2HD   ARG  52          1HD       ARG  52  -4.377  -9.000   3.455
  302    HE   ARG  52           HE       ARG  52  -2.417 -11.069   4.077
  303   1HH1  ARG  52          1HH1      ARG  52  -5.776 -10.126   3.360
  304   2HH1  ARG  52          2HH1      ARG  52  -6.409 -11.708   3.465
  305   1HH2  ARG  52          1HH2      ARG  52  -3.281 -13.246   4.158
  306   2HH2  ARG  52          2HH2      ARG  52  -4.917 -13.582   3.908
  307    H    SER  53           H        SER  53  -2.726  -8.132   0.032
  308    HA   SER  53           HA       SER  53  -2.689  -6.315  -2.136
  309   1HB   SER  53          2HB       SER  53  -3.164  -8.796  -2.332
  310   2HB   SER  53          1HB       SER  53  -4.711  -8.488  -1.545
  311    HG   SER  53           HG       SER  53  -5.218  -8.373  -3.631
  312    H    PHE  54           H        PHE  54  -4.541  -5.191  -2.989
  313    HA   PHE  54           HA       PHE  54  -5.676  -3.599  -0.943
  314   1HB   PHE  54          2HB       PHE  54  -6.517  -2.193  -2.758
  315   2HB   PHE  54          1HB       PHE  54  -4.801  -2.536  -2.931
  316    HD1  PHE  54           HD1      PHE  54  -8.102  -2.926  -4.317
  317    HD2  PHE  54           HD2      PHE  54  -4.042  -4.023  -4.672
  318    HE1  PHE  54           HE1      PHE  54  -8.547  -3.703  -6.622
  319    HE2  PHE  54           HE2      PHE  54  -4.433  -4.814  -6.984
  320    HZ   PHE  54           HZ       PHE  54  -6.692  -4.661  -7.964
  321    H    GLY  55           H        GLY  55  -7.653  -3.337  -0.542
  322   1HA   GLY  55          2HA       GLY  55  -9.587  -5.297  -1.603
  323   2HA   GLY  55          1HA       GLY  55  -9.493  -4.974   0.126
  324    H    THR  56           H        THR  56 -11.168  -3.759   0.797
  325    HA   THR  56           HA       THR  56 -11.865  -1.494  -0.801
  326    HB   THR  56           HB       THR  56 -13.328  -3.348  -1.527
  327    HG1  THR  56           HG1      THR  56 -14.197  -1.150  -1.411
  328   1HG2  THR  56          1HG2      THR  56 -13.240  -4.642   0.549
  329   2HG2  THR  56          2HG2      THR  56 -14.918  -4.299   0.086
  330   3HG2  THR  56          3HG2      THR  56 -14.178  -3.397   1.375
  331    H    GLU  57           H        GLU  57 -12.735   0.111   0.495
  332    HA   GLU  57           HA       GLU  57 -12.861  -0.295   3.393
  333   1HB   GLU  57          2HB       GLU  57 -12.455   2.223   1.733
  334   2HB   GLU  57          1HB       GLU  57 -12.614   2.199   3.479
  335   1HG   GLU  57          2HG       GLU  57 -10.611   1.070   3.801
  336   2HG   GLU  57          1HG       GLU  57 -10.504   0.543   2.130
  337    H    ASP  58           H        ASP  58 -14.887   0.334   0.662
  338    HA   ASP  58           HA       ASP  58 -17.155   1.143   2.429
  339   1HB   ASP  58          2HB       ASP  58 -17.909   2.686   0.726
  340   2HB   ASP  58          1HB       ASP  58 -16.221   3.011   1.106
  341    H    ARG  59           H        ARG  59 -16.095  -1.018   0.005
  342    HA   ARG  59           HA       ARG  59 -18.849  -1.846  -0.706
  343   1HB   ARG  59          2HB       ARG  59 -16.349  -1.720  -2.441
  344   2HB   ARG  59          1HB       ARG  59 -17.934  -2.288  -2.973
  345   1HG   ARG  59          2HG       ARG  59 -18.849  -0.077  -2.626
  346   2HG   ARG  59          1HG       ARG  59 -17.322   0.448  -1.953
  347   1HD   ARG  59          2HD       ARG  59 -16.267  -0.052  -4.149
  348   2HD   ARG  59          1HD       ARG  59 -17.892  -0.340  -4.789
  349    HE   ARG  59           HE       ARG  59 -17.490   2.121  -3.371
  350   1HH1  ARG  59          1HH1      ARG  59 -17.529   0.531  -6.533
  351   2HH1  ARG  59          2HH1      ARG  59 -17.742   1.957  -7.449
  352   1HH2  ARG  59          1HH2      ARG  59 -17.731   4.110  -4.633
  353   2HH2  ARG  59          2HH2      ARG  59 -17.836   4.102  -6.316
  354    HA   PRO  60           HA       PRO  60 -16.828  -5.860   0.092
  355   1HB   PRO  60          2HB       PRO  60 -17.966  -7.592  -1.594
  356   2HB   PRO  60          1HB       PRO  60 -18.936  -6.712  -0.402
  357   1HG   PRO  60          2HG       PRO  60 -18.782  -6.417  -3.322
  358   2HG   PRO  60          1HG       PRO  60 -20.063  -5.913  -2.200
  359   1HD   PRO  60          2HD       PRO  60 -17.942  -4.305  -3.348
  360   2HD   PRO  60          1HD       PRO  60 -19.327  -3.875  -2.293
  361    H    THR  61           H        THR  61 -14.983  -4.286  -1.816
  362    HA   THR  61           HA       THR  61 -13.394  -4.438  -3.377
  363    HB   THR  61           HB       THR  61 -12.298  -5.415  -1.370
  364    HG1  THR  61           HG1      THR  61 -10.601  -6.572  -2.441
  365   1HG2  THR  61          1HG2      THR  61 -13.654  -7.390  -1.025
  366   2HG2  THR  61          2HG2      THR  61 -11.951  -7.829  -1.184
  367   3HG2  THR  61          3HG2      THR  61 -13.063  -8.098  -2.532
  368    H    ASP  62           H        ASP  62 -12.062  -6.053  -4.807
  369    HA   ASP  62           HA       ASP  62 -13.708  -7.125  -6.911
  370   1HB   ASP  62          2HB       ASP  62 -10.755  -7.479  -6.319
  371   2HB   ASP  62          1HB       ASP  62 -11.532  -8.246  -7.693
  372    H    ARG  63           H        ARG  63 -11.513  -8.592  -4.622
  373    HA   ARG  63           HA       ARG  63 -13.212 -10.912  -4.184
  374   1HB   ARG  63          2HB       ARG  63 -10.394 -11.360  -5.282
  375   2HB   ARG  63          1HB       ARG  63 -11.475 -12.609  -4.711
  376   1HG   ARG  63          2HG       ARG  63 -13.012 -12.147  -6.537
  377   2HG   ARG  63          1HG       ARG  63 -11.954 -10.849  -7.110
  378   1HD   ARG  63          2HD       ARG  63 -11.509 -12.788  -8.450
  379   2HD   ARG  63          1HD       ARG  63 -10.146 -12.548  -7.348
  380    HE   ARG  63           HE       ARG  63 -12.086 -14.363  -6.302
  381   1HH1  ARG  63          1HH1      ARG  63  -9.250 -14.174  -8.452
  382   2HH1  ARG  63          2HH1      ARG  63  -8.890 -15.818  -8.378
  383   1HH2  ARG  63          1HH2      ARG  63 -11.604 -16.682  -6.237
  384   2HH2  ARG  63          2HH2      ARG  63 -10.263 -17.277  -7.082
  385    HA   PRO  64           HA       PRO  64  -9.860 -11.015  -0.806
  386   1HB   PRO  64          2HB       PRO  64  -7.471  -9.805  -1.081
  387   2HB   PRO  64          1HB       PRO  64  -7.897 -11.327  -1.862
  388   1HG   PRO  64          2HG       PRO  64  -7.511  -8.699  -3.112
  389   2HG   PRO  64          1HG       PRO  64  -7.599 -10.286  -3.882
  390   1HD   PRO  64          2HD       PRO  64  -9.653  -8.238  -3.522
  391   2HD   PRO  64          1HD       PRO  64  -9.659  -9.630  -4.616
  392    H    ILE  65           H        ILE  65  -9.660 -10.095   1.186
  393    HA   ILE  65           HA       ILE  65  -9.415  -7.235   1.512
  394    HB   ILE  65           HB       ILE  65 -11.096  -7.362   3.444
  395   1HG1  ILE  65          2HG1      ILE  65 -13.119  -8.861   2.988
  396   2HG1  ILE  65          1HG1      ILE  65 -12.100  -9.738   1.862
  397   1HG2  ILE  65          1HG2      ILE  65 -13.001  -6.692   2.055
  398   2HG2  ILE  65          2HG2      ILE  65 -12.084  -7.196   0.640
  399   3HG2  ILE  65          3HG2      ILE  65 -11.479  -5.901   1.656
  400   1HD1  ILE  65          1HD1      ILE  65 -10.605 -10.329   3.694
  401   2HD1  ILE  65          2HD1      ILE  65 -12.258 -10.868   4.016
  402   3HD1  ILE  65          3HD1      ILE  65 -11.623  -9.413   4.806
  403    H    ALA  66           H        ALA  66  -8.606  -6.543   3.505
  404    HA   ALA  66           HA       ALA  66  -7.196  -8.646   4.973
  405   1HB   ALA  66          1HB       ALA  66  -6.742  -5.663   4.975
  406   2HB   ALA  66          2HB       ALA  66  -5.790  -6.847   4.083
  407   3HB   ALA  66          3HB       ALA  66  -5.769  -6.837   5.853
  408    HA   PRO  67           HA       PRO  67 -10.469  -7.728   8.078
  409   1HB   PRO  67          2HB       PRO  67 -10.477 -10.145   9.197
  410   2HB   PRO  67          1HB       PRO  67 -11.205  -9.886   7.600
  411   1HG   PRO  67          2HG       PRO  67  -8.524 -11.035   8.326
  412   2HG   PRO  67          1HG       PRO  67  -9.696 -11.619   7.126
  413   1HD   PRO  67          2HD       PRO  67  -7.490 -10.108   6.539
  414   2HD   PRO  67          1HD       PRO  67  -8.957 -10.126   5.539
  415    H    ARG  68           H        ARG  68  -7.916  -6.749   8.506
  416    HA   ARG  68           HA       ARG  68  -6.295  -6.228   9.929
  417   1HB   ARG  68          2HB       ARG  68  -6.865  -5.797  12.342
  418   2HB   ARG  68          1HB       ARG  68  -8.018  -5.094  11.215
  419   1HG   ARG  68          2HG       ARG  68  -9.590  -6.904  11.760
  420   2HG   ARG  68          1HG       ARG  68  -8.404  -7.585  12.874
  421   1HD   ARG  68          2HD       ARG  68  -9.638  -4.833  13.101
  422   2HD   ARG  68          1HD       ARG  68 -10.143  -6.253  14.018
  423    HE   ARG  68           HE       ARG  68  -7.389  -5.836  14.417
  424   1HH1  ARG  68          1HH1      ARG  68 -10.454  -4.211  15.266
  425   2HH1  ARG  68          2HH1      ARG  68  -9.848  -3.555  16.713
  426   1HH2  ARG  68          1HH2      ARG  68  -6.606  -5.003  16.401
  427   2HH2  ARG  68          2HH2      ARG  68  -7.593  -4.025  17.392
  428    H    ASP  69           H        ASP  69  -4.618  -7.373   9.764
  429    HA   ASP  69           HA       ASP  69  -4.438 -10.017  10.943
  430   1HB   ASP  69          2HB       ASP  69  -2.357 -10.152   9.694
  431   2HB   ASP  69          1HB       ASP  69  -3.595  -9.487   8.630
  432    H    GLU  70           H        GLU  70  -4.105  -6.918  11.876
  433    HA   GLU  70           HA       GLU  70  -3.214  -5.778  13.573
  434   1HB   GLU  70          2HB       GLU  70  -2.276  -8.463  14.654
  435   2HB   GLU  70          1HB       GLU  70  -2.320  -6.966  15.571
  436   1HG   GLU  70          2HG       GLU  70  -4.698  -8.474  14.499
  437   2HG   GLU  70          1HG       GLU  70  -4.208  -8.351  16.187
  438    H    THR  71           H        THR  71  -1.695  -6.756  11.163
  439    HA   THR  71           HA       THR  71   0.169  -6.331  10.136
  440    HB   THR  71           HB       THR  71   1.227  -5.010  12.652
  441    HG1  THR  71           HG1      THR  71  -0.822  -4.320  11.567
  442   1HG2  THR  71          1HG2      THR  71   2.673  -3.808  11.111
  443   2HG2  THR  71          2HG2      THR  71   1.967  -4.662   9.745
  444   3HG2  THR  71          3HG2      THR  71   2.905  -5.548  10.952
  445    H    PHE  72           H        PHE  72   0.532  -8.478   9.947
  446    HA   PHE  72           HA       PHE  72   2.710  -9.534  11.639
  447   1HB   PHE  72          2HB       PHE  72   0.601 -10.804  11.925
  448   2HB   PHE  72          1HB       PHE  72   0.572 -11.116  10.190
  449    HD1  PHE  72           HD1      PHE  72   1.825 -12.902   9.264
  450    HD2  PHE  72           HD2      PHE  72   2.384 -11.797  13.334
  451    HE1  PHE  72           HE1      PHE  72   3.158 -14.954   9.645
  452    HE2  PHE  72           HE2      PHE  72   3.708 -13.836  13.721
  453    HZ   PHE  72           HZ       PHE  72   4.098 -15.411  11.867
  454    H    GLU  73           H        GLU  73   1.471  -9.119   8.383
  455    HA   GLU  73           HA       GLU  73   3.667 -10.498   7.197
  456   1HB   GLU  73          2HB       GLU  73   1.484  -8.864   5.871
  457   2HB   GLU  73          1HB       GLU  73   2.737  -9.712   4.984
  458   1HG   GLU  73          2HG       GLU  73   1.938 -11.851   6.056
  459   2HG   GLU  73          1HG       GLU  73   0.586 -10.930   6.715
  460    H    TYR  74           H        TYR  74   3.606  -7.638   8.575
  461    HA   TYR  74           HA       TYR  74   4.823  -5.699   6.955
  462   1HB   TYR  74          2HB       TYR  74   5.593  -4.609   8.941
  463   2HB   TYR  74          1HB       TYR  74   4.006  -5.292   9.257
  464    HD1  TYR  74           HD1      TYR  74   3.981  -7.544  10.417
  465    HD2  TYR  74           HD2      TYR  74   7.349  -5.034  10.333
  466    HE1  TYR  74           HE1      TYR  74   4.870  -8.738  12.427
  467    HE2  TYR  74           HE2      TYR  74   8.305  -6.187  12.333
  468    HH   TYR  74           HH       TYR  74   7.438  -7.508  14.234
  469    H    ILE  75           H        ILE  75   6.958  -4.971   6.555
  470    HA   ILE  75           HA       ILE  75   9.139  -6.633   7.377
  471    HB   ILE  75           HB       ILE  75  10.097  -6.943   5.128
  472   1HG1  ILE  75          2HG1      ILE  75   8.996  -5.060   3.937
  473   2HG1  ILE  75          1HG1      ILE  75   8.907  -6.560   3.057
  474   1HG2  ILE  75          1HG2      ILE  75   7.371  -8.100   5.395
  475   2HG2  ILE  75          2HG2      ILE  75   8.884  -8.780   6.007
  476   3HG2  ILE  75          3HG2      ILE  75   8.585  -8.711   4.265
  477   1HD1  ILE  75          1HD1      ILE  75   6.568  -6.826   3.741
  478   2HD1  ILE  75          2HD1      ILE  75   6.823  -5.297   2.897
  479   3HD1  ILE  75          3HD1      ILE  75   6.670  -5.323   4.651
  480    H    ILE  76           H        ILE  76  11.215  -5.600   6.945
  481    HA   ILE  76           HA       ILE  76  10.951  -2.682   6.643
  482    HB   ILE  76           HB       ILE  76  12.960  -4.209   8.344
  483   1HG1  ILE  76          2HG1      ILE  76  10.718  -4.311   9.341
  484   2HG1  ILE  76          1HG1      ILE  76  11.776  -3.302  10.313
  485   1HG2  ILE  76          1HG2      ILE  76  13.634  -2.025   9.224
  486   2HG2  ILE  76          2HG2      ILE  76  12.516  -1.240   8.113
  487   3HG2  ILE  76          3HG2      ILE  76  13.893  -2.147   7.480
  488   1HD1  ILE  76          1HD1      ILE  76  10.723  -1.311   9.320
  489   2HD1  ILE  76          2HD1      ILE  76   9.558  -2.345  10.152
  490   3HD1  ILE  76          3HD1      ILE  76   9.644  -2.361   8.397
  491    H    PHE  77           H        PHE  77  12.333  -1.747   5.175
  492    HA   PHE  77           HA       PHE  77  14.148  -3.582   3.778
  493   1HB   PHE  77          2HB       PHE  77  12.918  -1.016   2.768
  494   2HB   PHE  77          1HB       PHE  77  14.031  -2.023   1.869
  495    HD1  PHE  77           HD1      PHE  77  13.367  -4.359   1.255
  496    HD2  PHE  77           HD2      PHE  77  10.609  -1.517   2.806
  497    HE1  PHE  77           HE1      PHE  77  11.511  -5.687   0.379
  498    HE2  PHE  77           HE2      PHE  77   8.746  -2.855   1.927
  499    HZ   PHE  77           HZ       PHE  77   9.206  -4.940   0.713
  500    H    ARG  78           H        ARG  78  16.185  -2.950   3.222
  501    HA   ARG  78           HA       ARG  78  17.620  -1.326   5.036
  502   1HB   ARG  78          2HB       ARG  78  18.392  -2.453   2.368
  503   2HB   ARG  78          1HB       ARG  78  19.522  -1.715   3.497
  504   1HG   ARG  78          2HG       ARG  78  17.892  -4.216   3.987
  505   2HG   ARG  78          1HG       ARG  78  19.592  -4.178   3.546
  506   1HD   ARG  78          2HD       ARG  78  20.024  -2.837   5.614
  507   2HD   ARG  78          1HD       ARG  78  18.311  -3.067   5.999
  508    HE   ARG  78           HE       ARG  78  19.056  -5.571   5.723
  509   1HH1  ARG  78          1HH1      ARG  78  20.750  -2.976   7.468
  510   2HH1  ARG  78          2HH1      ARG  78  21.450  -3.995   8.625
  511   1HH2  ARG  78          1HH2      ARG  78  20.039  -6.991   7.311
  512   2HH2  ARG  78          2HH2      ARG  78  21.017  -6.359   8.538
  513    H    GLY  79           H        GLY  79  15.862  -0.479   2.282
  514   1HA   GLY  79          2HA       GLY  79  15.369   1.653   1.525
  515   2HA   GLY  79          1HA       GLY  79  16.590   2.308   2.600
  516    H    SER  80           H        SER  80  18.822   1.679   1.902
  517    HA   SER  80           HA       SER  80  19.400   2.728  -0.703
  518   1HB   SER  80          2HB       SER  80  20.998   2.736   1.223
  519   2HB   SER  80          1HB       SER  80  21.175   0.996   1.046
  520    HG   SER  80           HG       SER  80  22.417   2.991  -0.283
  521    H    ASP  81           H        ASP  81  18.397  -0.295   0.237
  522    HA   ASP  81           HA       ASP  81  19.523  -1.887  -1.948
  523   1HB   ASP  81          2HB       ASP  81  17.807  -2.568   0.414
  524   2HB   ASP  81          1HB       ASP  81  18.242  -3.714  -0.826
  525    H    ILE  82           H        ILE  82  17.025   0.172  -1.931
  526    HA   ILE  82           HA       ILE  82  14.956  -1.577  -2.936
  527    HB   ILE  82           HB       ILE  82  13.690   0.479  -3.508
  528   1HG1  ILE  82          2HG1      ILE  82  16.108   1.921  -2.377
  529   2HG1  ILE  82          1HG1      ILE  82  15.619   1.945  -4.078
  530   1HG2  ILE  82          1HG2      ILE  82  13.361   1.249  -1.192
  531   2HG2  ILE  82          2HG2      ILE  82  14.821   0.372  -0.701
  532   3HG2  ILE  82          3HG2      ILE  82  13.426  -0.503  -1.331
  533   1HD1  ILE  82          1HD1      ILE  82  14.098   3.078  -1.733
  534   2HD1  ILE  82          2HD1      ILE  82  13.581   3.151  -3.413
  535   3HD1  ILE  82          3HD1      ILE  82  15.037   3.991  -2.906
  536    H    LYS  83           H        LYS  83  14.138  -1.729  -5.008
  537    HA   LYS  83           HA       LYS  83  16.178  -1.225  -7.031
  538   1HB   LYS  83          2HB       LYS  83  15.429  -3.527  -6.801
  539   2HB   LYS  83          1HB       LYS  83  13.779  -3.038  -7.142
  540   1HG   LYS  83          2HG       LYS  83  14.926  -4.042  -9.017
  541   2HG   LYS  83          1HG       LYS  83  14.365  -2.398  -9.396
  542   1HD   LYS  83          2HD       LYS  83  16.570  -2.715 -10.319
  543   2HD   LYS  83          1HD       LYS  83  16.746  -1.661  -8.920
  544   1HE   LYS  83          2HE       LYS  83  18.494  -3.278  -8.913
  545   2HE   LYS  83          1HE       LYS  83  17.386  -3.667  -7.594
  546   1HZ   LYS  83          1HZ       LYS  83  17.512  -4.954 -10.249
  547   2HZ   LYS  83          2HZ       LYS  83  16.391  -5.398  -9.082
  548   3HZ   LYS  83          3HZ       LYS  83  18.036  -5.674  -8.838
  549    H    ASP  84           H        ASP  84  12.687  -0.694  -6.414
  550    HA   ASP  84           HA       ASP  84  12.617   1.742  -7.820
  551   1HB   ASP  84          2HB       ASP  84  12.850   0.066  -9.798
  552   2HB   ASP  84          1HB       ASP  84  11.255  -0.500  -9.355
  553    H    LEU  85           H        LEU  85  10.528   2.738  -7.613
  554    HA   LEU  85           HA       LEU  85   8.406   1.221  -6.573
  555   1HB   LEU  85          2HB       LEU  85   8.173   2.240  -4.345
  556   2HB   LEU  85          1HB       LEU  85   9.638   1.312  -4.491
  557    HG   LEU  85           HG       LEU  85  10.111   3.144  -3.133
  558   1HD1  LEU  85          1HD1      LEU  85  11.864   2.657  -4.550
  559   2HD1  LEU  85          2HD1      LEU  85  11.829   4.401  -4.258
  560   3HD1  LEU  85          3HD1      LEU  85  11.261   3.736  -5.805
  561   1HD2  LEU  85          1HD2      LEU  85   9.741   5.487  -3.738
  562   2HD2  LEU  85          2HD2      LEU  85   8.232   4.563  -3.615
  563   3HD2  LEU  85          3HD2      LEU  85   8.910   4.947  -5.201
  564    H    THR  86           H        THR  86   6.473   2.302  -6.354
  565    HA   THR  86           HA       THR  86   6.455   5.064  -7.242
  566    HB   THR  86           HB       THR  86   5.882   3.829  -9.222
  567    HG1  THR  86           HG1      THR  86   3.540   4.899  -7.990
  568   1HG2  THR  86          1HG2      THR  86   4.000   2.226  -9.332
  569   2HG2  THR  86          2HG2      THR  86   3.768   2.389  -7.591
  570   3HG2  THR  86          3HG2      THR  86   5.265   1.695  -8.227
  571    H    VAL  87           H        VAL  87   4.972   6.314  -6.191
  572    HA   VAL  87           HA       VAL  87   3.580   4.993  -3.989
  573    HB   VAL  87           HB       VAL  87   3.542   7.171  -2.851
  574   1HG1  VAL  87          1HG1      VAL  87   6.281   6.453  -3.850
  575   2HG1  VAL  87          2HG1      VAL  87   5.479   5.773  -2.433
  576   3HG1  VAL  87          3HG1      VAL  87   5.952   7.478  -2.459
  577   1HG2  VAL  87          1HG2      VAL  87   5.083   8.247  -5.221
  578   2HG2  VAL  87          2HG2      VAL  87   4.672   9.133  -3.742
  579   3HG2  VAL  87          3HG2      VAL  87   3.405   8.628  -4.842
  580    H    CYS  88           H        CYS  88   1.403   5.651  -3.458
  581    HA   CYS  88           HA       CYS  88   0.055   7.193  -5.528
  582   1HB   CYS  88          2HB       CYS  88  -0.994   4.799  -4.028
  583   2HB   CYS  88          1HB       CYS  88  -1.940   5.777  -5.145
  584    HG   CYS  88           HG       CYS  88   0.555   4.995  -6.915
  585    H    GLU  89           H        GLU  89   0.001   9.019  -4.523
  586    HA   GLU  89           HA       GLU  89  -1.406   9.207  -1.966
  587   1HB   GLU  89          2HB       GLU  89   0.821  11.025  -2.920
  588   2HB   GLU  89          1HB       GLU  89  -0.059  11.162  -1.411
  589   1HG   GLU  89          2HG       GLU  89   0.874   9.008  -0.705
  590   2HG   GLU  89          1HG       GLU  89   1.845   8.975  -2.182
  591    HA   PRO  90           HA       PRO  90  -4.123  11.903  -4.233
  592   1HB   PRO  90          2HB       PRO  90  -4.239  13.532  -1.739
  593   2HB   PRO  90          1HB       PRO  90  -5.568  12.849  -2.708
  594   1HG   PRO  90          2HG       PRO  90  -4.905  11.693  -0.400
  595   2HG   PRO  90          1HG       PRO  90  -5.266  10.718  -1.829
  596   1HD   PRO  90          2HD       PRO  90  -2.590  11.437  -0.690
  597   2HD   PRO  90          1HD       PRO  90  -3.182   9.865  -1.288
  598    HA   PRO  91           HA       PRO  91  -1.597  16.243  -3.614
  599   1HB   PRO  91          2HB       PRO  91   1.001  14.877  -3.016
  600   2HB   PRO  91          1HB       PRO  91   0.470  16.471  -2.531
  601   1HG   PRO  91          2HG       PRO  91   0.417  14.524  -0.796
  602   2HG   PRO  91          1HG       PRO  91  -0.938  15.656  -0.871
  603   1HD   PRO  91          2HD       PRO  91  -0.762  12.861  -1.911
  604   2HD   PRO  91          1HD       PRO  91  -2.143  13.697  -1.138
  605    H    LYS  92           H        LYS  92  -1.371  16.814  -5.629
  606    HA   LYS  92           HA       LYS  92  -0.824  16.981  -7.819
  607   1HB   LYS  92          2HB       LYS  92   1.431  15.021  -7.268
  608   2HB   LYS  92          1HB       LYS  92   1.258  15.998  -8.708
  609   1HG   LYS  92          2HG       LYS  92   1.758  17.048  -5.929
  610   2HG   LYS  92          1HG       LYS  92   2.980  16.848  -7.190
  611   1HD   LYS  92          2HD       LYS  92   1.710  18.462  -8.589
  612   2HD   LYS  92          1HD       LYS  92   0.595  18.692  -7.234
  613   1HE   LYS  92          2HE       LYS  92   3.569  19.236  -7.162
  614   2HE   LYS  92          1HE       LYS  92   2.310  20.455  -7.335
  615   1HZ   LYS  92          1HZ       LYS  92   1.489  19.871  -5.127
  616   2HZ   LYS  92          2HZ       LYS  92   3.106  20.283  -5.080
  617   3HZ   LYS  92          3HZ       LYS  92   2.682  18.671  -4.969
  618    HA   PRO  93           HA       PRO  93  -3.182  13.026  -8.343
  619   1HB   PRO  93          2HB       PRO  93  -5.205  14.112  -9.809
  620   2HB   PRO  93          1HB       PRO  93  -5.174  14.093  -8.043
  621   1HG   PRO  93          2HG       PRO  93  -4.382  16.297  -9.918
  622   2HG   PRO  93          1HG       PRO  93  -5.386  16.389  -8.446
  623   1HD   PRO  93          2HD       PRO  93  -2.821  17.119  -8.453
  624   2HD   PRO  93          1HD       PRO  93  -3.524  16.296  -7.059
  625    H    ILE  94           H        ILE  94  -2.055  15.375 -10.602
  626    HA   ILE  94           HA       ILE  94  -2.188  13.347 -12.718
  627    HB   ILE  94           HB       ILE  94  -2.110  15.215 -14.383
  628   1HG1  ILE  94          2HG1      ILE  94  -2.626  16.940 -11.943
  629   2HG1  ILE  94          1HG1      ILE  94  -1.146  16.935 -12.884
  630   1HG2  ILE  94          1HG2      ILE  94  -4.174  14.100 -13.861
  631   2HG2  ILE  94          2HG2      ILE  94  -4.476  15.832 -14.131
  632   3HG2  ILE  94          3HG2      ILE  94  -4.459  15.182 -12.499
  633   1HD1  ILE  94          1HD1      ILE  94  -2.359  17.759 -14.821
  634   2HD1  ILE  94          2HD1      ILE  94  -2.557  18.833 -13.420
  635   3HD1  ILE  94          3HD1      ILE  94  -3.861  17.747 -13.897
  636    H    MET  95           H        MET  95  -0.097  15.005 -10.743
  637    HA   MET  95           HA       MET  95   2.098  15.507 -10.663
  638   1HB   MET  95          2HB       MET  95   2.301  13.257 -12.693
  639   2HB   MET  95          1HB       MET  95   3.658  13.953 -11.842
  640   1HG   MET  95          2HG       MET  95   2.750  13.222  -9.726
  641   2HG   MET  95          1HG       MET  95   1.339  12.553 -10.549
  642   1HE   MET  95          1HE       MET  95   3.236   9.339  -9.389
  643   2HE   MET  95          2HE       MET  95   1.727  10.242  -9.338
  644   3HE   MET  95          3HE       MET  95   3.154  10.861  -8.504
  Start of MODEL    9
    1    HA   PRO  16           HA       PRO  16  -7.312  -2.139   2.349
    2   1HB   PRO  16          2HB       PRO  16  -7.157  -0.184   0.675
    3   2HB   PRO  16          1HB       PRO  16  -7.328  -1.813   0.017
    4   1HG   PRO  16          2HG       PRO  16  -9.434   0.302   0.331
    5   2HG   PRO  16          1HG       PRO  16  -9.157  -0.753  -1.063
    6   1HD   PRO  16          2HD       PRO  16 -11.002  -1.231   1.034
    7   2HD   PRO  16          1HD       PRO  16 -10.456  -2.409  -0.163
    8    H    TYR  17           H        TYR  17  -6.917   0.691   2.195
    9    HA   TYR  17           HA       TYR  17  -7.437   2.796   2.862
   10   1HB   TYR  17          2HB       TYR  17  -9.882   1.675   4.273
   11   2HB   TYR  17          1HB       TYR  17  -9.389   3.348   4.363
   12    HD1  TYR  17           HD1      TYR  17  -9.592   4.811   2.404
   13    HD2  TYR  17           HD2      TYR  17 -10.915   0.808   2.304
   14    HE1  TYR  17           HE1      TYR  17 -10.861   5.304   0.359
   15    HE2  TYR  17           HE2      TYR  17 -12.215   1.270   0.251
   16    HH   TYR  17           HH       TYR  17 -13.199   3.182  -0.897
   17    H    ILE  18           H        ILE  18  -5.522   1.193   4.045
   18    HA   ILE  18           HA       ILE  18  -5.843   1.925   6.846
   19    HB   ILE  18           HB       ILE  18  -3.920  -0.087   5.655
   20   1HG1  ILE  18          2HG1      ILE  18  -5.071  -1.664   7.261
   21   2HG1  ILE  18          1HG1      ILE  18  -6.243  -0.381   7.581
   22   1HG2  ILE  18          1HG2      ILE  18  -2.861   1.232   7.414
   23   2HG2  ILE  18          2HG2      ILE  18  -3.037  -0.469   7.859
   24   3HG2  ILE  18          3HG2      ILE  18  -4.133   0.747   8.537
   25   1HD1  ILE  18          1HD1      ILE  18  -5.717  -1.813   5.018
   26   2HD1  ILE  18          2HD1      ILE  18  -6.893  -0.513   5.185
   27   3HD1  ILE  18          3HD1      ILE  18  -7.118  -2.056   6.044
   28    H    GLY  19           H        GLY  19  -3.625   2.407   4.219
   29   1HA   GLY  19          2HA       GLY  19  -2.422   4.642   5.723
   30   2HA   GLY  19          1HA       GLY  19  -1.364   3.294   5.401
   31    H    SER  20           H        SER  20   0.101   4.333   4.088
   32    HA   SER  20           HA       SER  20  -0.911   5.653   1.685
   33   1HB   SER  20          2HB       SER  20   1.913   5.339   2.715
   34   2HB   SER  20          1HB       SER  20   1.410   6.342   1.343
   35    HG   SER  20           HG       SER  20   1.642   7.526   3.269
   36    H    LYS  21           H        LYS  21  -1.116   4.582  -0.200
   37    HA   LYS  21           HA       LYS  21  -0.207   1.822  -0.319
   38   1HB   LYS  21          2HB       LYS  21  -1.803   3.350  -2.382
   39   2HB   LYS  21          1HB       LYS  21  -1.560   1.620  -2.331
   40   1HG   LYS  21          2HG       LYS  21  -3.746   1.913  -1.619
   41   2HG   LYS  21          1HG       LYS  21  -2.877   1.704  -0.105
   42   1HD   LYS  21          2HD       LYS  21  -2.854   4.135   0.227
   43   2HD   LYS  21          1HD       LYS  21  -3.686   4.353  -1.315
   44   1HE   LYS  21          2HE       LYS  21  -5.574   3.018  -0.406
   45   2HE   LYS  21          1HE       LYS  21  -4.735   2.965   1.140
   46   1HZ   LYS  21          1HZ       LYS  21  -6.364   4.781   1.080
   47   2HZ   LYS  21          2HZ       LYS  21  -5.620   5.403  -0.277
   48   3HZ   LYS  21          3HZ       LYS  21  -4.791   5.402   1.197
   49    H    ILE  22           H        ILE  22   1.840   1.545  -0.954
   50    HA   ILE  22           HA       ILE  22   2.656   2.904  -3.429
   51    HB   ILE  22           HB       ILE  22   4.937   3.123  -2.740
   52   1HG1  ILE  22          2HG1      ILE  22   5.290   1.128  -1.384
   53   2HG1  ILE  22          1HG1      ILE  22   5.804   2.549  -0.502
   54   1HG2  ILE  22          1HG2      ILE  22   3.608   4.974  -2.121
   55   2HG2  ILE  22          2HG2      ILE  22   4.832   4.729  -0.876
   56   3HG2  ILE  22          3HG2      ILE  22   3.170   4.225  -0.585
   57   1HD1  ILE  22          1HD1      ILE  22   4.683   1.031   0.995
   58   2HD1  ILE  22          2HD1      ILE  22   3.318   0.959  -0.096
   59   3HD1  ILE  22          3HD1      ILE  22   3.648   2.469   0.759
   60    H    SER  23           H        SER  23   4.380   1.732  -4.576
   61    HA   SER  23           HA       SER  23   4.220  -1.163  -4.153
   62   1HB   SER  23          2HB       SER  23   4.434   0.401  -6.704
   63   2HB   SER  23          1HB       SER  23   4.356  -1.357  -6.605
   64    HG   SER  23           HG       SER  23   2.242  -1.160  -6.549
   65    H    LEU  24           H        LEU  24   6.184  -1.800  -3.477
   66    HA   LEU  24           HA       LEU  24   8.547  -0.403  -4.496
   67   1HB   LEU  24          2HB       LEU  24   8.198   0.285  -2.253
   68   2HB   LEU  24          1HB       LEU  24   7.902  -1.364  -1.745
   69    HG   LEU  24           HG       LEU  24  10.249  -1.871  -1.878
   70   1HD1  LEU  24          1HD1      LEU  24  10.601   0.948  -2.932
   71   2HD1  LEU  24          2HD1      LEU  24  10.798  -0.545  -3.870
   72   3HD1  LEU  24          3HD1      LEU  24  11.892  -0.191  -2.544
   73   1HD2  LEU  24          1HD2      LEU  24  11.087  -0.305  -0.259
   74   2HD2  LEU  24          2HD2      LEU  24   9.426  -0.780   0.096
   75   3HD2  LEU  24          3HD2      LEU  24   9.761   0.802  -0.611
   76    H    ILE  25           H        ILE  25   9.978  -1.586  -5.474
   77    HA   ILE  25           HA       ILE  25   9.680  -4.472  -5.354
   78    HB   ILE  25           HB       ILE  25  11.479  -2.851  -7.180
   79   1HG1  ILE  25          2HG1      ILE  25   8.815  -4.182  -7.724
   80   2HG1  ILE  25          1HG1      ILE  25   9.096  -2.441  -7.643
   81   1HG2  ILE  25          1HG2      ILE  25  11.702  -4.985  -8.440
   82   2HG2  ILE  25          2HG2      ILE  25  10.695  -5.783  -7.229
   83   3HG2  ILE  25          3HG2      ILE  25  12.276  -5.154  -6.775
   84   1HD1  ILE  25          1HD1      ILE  25  10.274  -4.322  -9.667
   85   2HD1  ILE  25          2HD1      ILE  25  10.504  -2.572  -9.629
   86   3HD1  ILE  25          3HD1      ILE  25   8.906  -3.246  -9.949
   87    H    SER  26           H        SER  26  10.746  -5.502  -4.008
   88    HA   SER  26           HA       SER  26  13.114  -4.595  -2.661
   89   1HB   SER  26          2HB       SER  26  11.512  -6.069  -1.523
   90   2HB   SER  26          1HB       SER  26  11.753  -7.288  -2.765
   91    HG   SER  26           HG       SER  26  12.940  -7.476  -0.655
   92    H    LYS  27           H        LYS  27  15.083  -5.800  -2.725
   93    HA   LYS  27           HA       LYS  27  16.251  -6.030  -5.136
   94   1HB   LYS  27          2HB       LYS  27  18.112  -7.340  -3.906
   95   2HB   LYS  27          1HB       LYS  27  17.763  -5.687  -3.440
   96   1HG   LYS  27          2HG       LYS  27  18.171  -7.111  -1.487
   97   2HG   LYS  27          1HG       LYS  27  16.527  -6.482  -1.485
   98   1HD   LYS  27          2HD       LYS  27  15.737  -8.672  -2.319
   99   2HD   LYS  27          1HD       LYS  27  17.402  -9.261  -2.262
  100   1HE   LYS  27          2HE       LYS  27  17.480  -8.861   0.164
  101   2HE   LYS  27          1HE       LYS  27  15.838  -8.222   0.114
  102   1HZ   LYS  27          1HZ       LYS  27  16.607 -11.016  -0.557
  103   2HZ   LYS  27          2HZ       LYS  27  15.023 -10.415  -0.477
  104   3HZ   LYS  27          3HZ       LYS  27  15.942 -10.523   0.904
  105    H    ALA  28           H        ALA  28  14.187  -8.244  -3.826
  106    HA   ALA  28           HA       ALA  28  15.264 -10.666  -4.964
  107   1HB   ALA  28          1HB       ALA  28  13.196 -11.682  -4.130
  108   2HB   ALA  28          2HB       ALA  28  12.576 -10.083  -3.730
  109   3HB   ALA  28          3HB       ALA  28  13.972 -10.719  -2.872
  110    H    GLU  29           H        GLU  29  13.879  -7.992  -6.245
  111    HA   GLU  29           HA       GLU  29  13.064  -7.421  -8.236
  112   1HB   GLU  29          2HB       GLU  29  14.519  -9.310  -9.107
  113   2HB   GLU  29          1HB       GLU  29  13.159 -10.393  -8.906
  114   1HG   GLU  29          2HG       GLU  29  13.448  -9.805 -11.222
  115   2HG   GLU  29          1HG       GLU  29  11.928  -9.130 -10.615
  116    H    ILE  30           H        ILE  30  11.559  -8.025  -5.953
  117    HA   ILE  30           HA       ILE  30   9.003  -9.050  -7.007
  118    HB   ILE  30           HB       ILE  30  10.005  -9.081  -4.146
  119   1HG1  ILE  30          2HG1      ILE  30  11.113 -10.762  -5.529
  120   2HG1  ILE  30          1HG1      ILE  30  10.040 -11.533  -4.385
  121   1HG2  ILE  30          1HG2      ILE  30   7.970 -10.367  -3.640
  122   2HG2  ILE  30          2HG2      ILE  30   7.408 -10.073  -5.299
  123   3HG2  ILE  30          3HG2      ILE  30   7.649  -8.718  -4.198
  124   1HD1  ILE  30          1HD1      ILE  30   9.890 -12.613  -6.550
  125   2HD1  ILE  30          2HD1      ILE  30   9.478 -11.070  -7.297
  126   3HD1  ILE  30          3HD1      ILE  30   8.370 -11.814  -6.146
  127    H    ARG  31           H        ARG  31   7.278  -7.649  -6.968
  128    HA   ARG  31           HA       ARG  31   7.766  -4.990  -5.861
  129   1HB   ARG  31          2HB       ARG  31   6.930  -5.416  -8.250
  130   2HB   ARG  31          1HB       ARG  31   5.391  -5.846  -7.526
  131   1HG   ARG  31          2HG       ARG  31   5.212  -3.623  -6.534
  132   2HG   ARG  31          1HG       ARG  31   6.750  -3.165  -7.262
  133   1HD   ARG  31          2HD       ARG  31   5.138  -2.307  -8.773
  134   2HD   ARG  31          1HD       ARG  31   5.650  -3.827  -9.504
  135    HE   ARG  31           HE       ARG  31   3.191  -3.572  -7.908
  136   1HH1  ARG  31          1HH1      ARG  31   4.747  -4.682 -10.897
  137   2HH1  ARG  31          2HH1      ARG  31   3.325  -5.370 -11.522
  138   1HH2  ARG  31          1HH2      ARG  31   1.328  -4.439  -8.713
  139   2HH2  ARG  31          2HH2      ARG  31   1.250  -5.208 -10.240
  140    H    TYR  32           H        TYR  32   7.276  -4.959  -3.748
  141    HA   TYR  32           HA       TYR  32   4.914  -6.344  -2.736
  142   1HB   TYR  32          2HB       TYR  32   7.051  -4.722  -1.351
  143   2HB   TYR  32          1HB       TYR  32   5.679  -5.420  -0.518
  144    HD1  TYR  32           HD1      TYR  32   8.842  -6.120  -2.246
  145    HD2  TYR  32           HD2      TYR  32   5.633  -7.796  -0.027
  146    HE1  TYR  32           HE1      TYR  32  10.131  -8.216  -1.967
  147    HE2  TYR  32           HE2      TYR  32   6.911  -9.884   0.259
  148    HH   TYR  32           HH       TYR  32  10.207 -10.159  -0.444
  149    H    GLU  33           H        GLU  33   3.033  -5.338  -2.485
  150    HA   GLU  33           HA       GLU  33   3.015  -2.405  -2.554
  151   1HB   GLU  33          2HB       GLU  33   0.939  -4.215  -3.778
  152   2HB   GLU  33          1HB       GLU  33   1.100  -2.472  -3.964
  153   1HG   GLU  33          2HG       GLU  33   3.198  -2.819  -5.209
  154   2HG   GLU  33          1HG       GLU  33   2.980  -4.554  -5.040
  155    H    GLY  34           H        GLY  34   1.956  -1.585  -0.875
  156   1HA   GLY  34          2HA       GLY  34  -0.310  -2.573   0.330
  157   2HA   GLY  34          1HA       GLY  34   1.045  -3.238   1.223
  158    H    ILE  35           H        ILE  35   0.479  -1.803   3.262
  159    HA   ILE  35           HA       ILE  35   0.854   0.738   2.232
  160    HB   ILE  35           HB       ILE  35  -0.122   1.758   4.238
  161   1HG1  ILE  35          2HG1      ILE  35  -0.199  -0.324   5.655
  162   2HG1  ILE  35          1HG1      ILE  35  -1.693   0.590   5.621
  163   1HG2  ILE  35          1HG2      ILE  35  -2.412   1.472   3.333
  164   2HG2  ILE  35          2HG2      ILE  35  -1.779   0.194   2.293
  165   3HG2  ILE  35          3HG2      ILE  35  -1.178   1.834   2.136
  166   1HD1  ILE  35          1HD1      ILE  35  -2.567  -1.026   3.964
  167   2HD1  ILE  35          2HD1      ILE  35  -2.167  -1.733   5.523
  168   3HD1  ILE  35          3HD1      ILE  35  -1.086  -1.971   4.159
  169    H    LEU  36           H        LEU  36   1.980   2.338   3.043
  170    HA   LEU  36           HA       LEU  36   4.323   1.585   4.549
  171   1HB   LEU  36          2HB       LEU  36   4.503   2.887   2.459
  172   2HB   LEU  36          1HB       LEU  36   3.554   4.167   3.144
  173    HG   LEU  36           HG       LEU  36   5.991   4.684   2.933
  174   1HD1  LEU  36          1HD1      LEU  36   4.736   5.940   4.579
  175   2HD1  LEU  36          2HD1      LEU  36   6.361   5.558   5.191
  176   3HD1  LEU  36          3HD1      LEU  36   4.971   4.638   5.750
  177   1HD2  LEU  36          1HD2      LEU  36   6.319   2.548   5.028
  178   2HD2  LEU  36          2HD2      LEU  36   7.585   3.625   4.425
  179   3HD2  LEU  36          3HD2      LEU  36   6.841   2.459   3.346
  180    H    TYR  37           H        TYR  37   4.882   2.404   6.507
  181    HA   TYR  37           HA       TYR  37   2.767   3.747   8.014
  182   1HB   TYR  37          2HB       TYR  37   2.916   1.379   8.601
  183   2HB   TYR  37          1HB       TYR  37   4.639   1.545   8.872
  184    HD1  TYR  37           HD1      TYR  37   1.352   2.823  10.090
  185    HD2  TYR  37           HD2      TYR  37   5.409   1.924  11.028
  186    HE1  TYR  37           HE1      TYR  37   0.909   3.307  12.455
  187    HE2  TYR  37           HE2      TYR  37   4.965   2.408  13.397
  188    HH   TYR  37           HH       TYR  37   3.402   3.661  14.745
  189    H    THR  38           H        THR  38   6.308   3.096   8.067
  190    HA   THR  38           HA       THR  38   6.688   5.830   8.950
  191    HB   THR  38           HB       THR  38   8.592   4.833  10.516
  192    HG1  THR  38           HG1      THR  38   7.289   2.684   9.744
  193   1HG2  THR  38          1HG2      THR  38   6.724   6.221  11.339
  194   2HG2  THR  38          2HG2      THR  38   7.000   4.837  12.414
  195   3HG2  THR  38          3HG2      THR  38   5.669   4.811  11.283
  196    H    ILE  39           H        ILE  39   9.424   6.081   9.186
  197    HA   ILE  39           HA       ILE  39  10.453   5.189   6.581
  198    HB   ILE  39           HB       ILE  39  10.313   8.027   7.614
  199   1HG1  ILE  39          2HG1      ILE  39   8.310   7.100   6.505
  200   2HG1  ILE  39          1HG1      ILE  39   8.965   8.509   5.629
  201   1HG2  ILE  39          1HG2      ILE  39  11.757   7.089   5.136
  202   2HG2  ILE  39          2HG2      ILE  39  12.523   7.687   6.615
  203   3HG2  ILE  39          3HG2      ILE  39  11.542   8.771   5.629
  204   1HD1  ILE  39          1HD1      ILE  39   9.985   6.834   4.049
  205   2HD1  ILE  39          2HD1      ILE  39   8.223   6.802   4.103
  206   3HD1  ILE  39          3HD1      ILE  39   9.123   5.573   4.933
  207    H    ASP  40           H        ASP  40  12.483   4.564   6.642
  208    HA   ASP  40           HA       ASP  40  14.164   4.892   9.024
  209   1HB   ASP  40          2HB       ASP  40  14.576   3.173   6.528
  210   2HB   ASP  40          1HB       ASP  40  15.642   3.238   7.916
  211    H    THR  41           H        THR  41  14.576   7.172   8.621
  212    HA   THR  41           HA       THR  41  15.381   8.234   6.260
  213    HB   THR  41           HB       THR  41  16.189   9.177   9.030
  214    HG1  THR  41           HG1      THR  41  14.254  10.444   8.767
  215   1HG2  THR  41          1HG2      THR  41  15.910  10.702   6.422
  216   2HG2  THR  41          2HG2      THR  41  17.443  10.348   7.233
  217   3HG2  THR  41          3HG2      THR  41  16.274  11.430   7.987
  218    H    GLU  42           H        GLU  42  17.322   6.530   8.604
  219    HA   GLU  42           HA       GLU  42  19.909   7.372   8.002
  220   1HB   GLU  42          2HB       GLU  42  19.417   6.115   9.996
  221   2HB   GLU  42          1HB       GLU  42  18.886   4.737   9.071
  222   1HG   GLU  42          2HG       GLU  42  21.105   4.286   8.330
  223   2HG   GLU  42          1HG       GLU  42  21.695   5.790   9.045
  224    H    ASN  43           H        ASN  43  17.906   5.103   6.271
  225    HA   ASN  43           HA       ASN  43  20.083   4.792   4.297
  226   1HB   ASN  43          2HB       ASN  43  17.978   2.734   5.041
  227   2HB   ASN  43          1HB       ASN  43  19.115   2.537   3.731
  228   1HD2  ASN  43          1HD2      ASN  43  21.380   2.234   4.308
  229   2HD2  ASN  43          2HD2      ASN  43  21.781   1.676   5.889
  230    H    SER  44           H        SER  44  17.770   6.598   4.680
  231    HA   SER  44           HA       SER  44  15.974   7.590   3.668
  232   1HB   SER  44          2HB       SER  44  16.135   7.797   1.128
  233   2HB   SER  44          1HB       SER  44  17.611   8.264   1.965
  234    HG   SER  44           HG       SER  44  17.596   5.622   1.323
  235    H    THR  45           H        THR  45  15.469   5.099   4.648
  236    HA   THR  45           HA       THR  45  13.862   4.026   2.613
  237    HB   THR  45           HB       THR  45  14.206   1.756   4.124
  238    HG1  THR  45           HG1      THR  45  15.682   2.536   5.440
  239   1HG2  THR  45          1HG2      THR  45  15.802   2.966   1.935
  240   2HG2  THR  45          2HG2      THR  45  14.180   2.270   1.715
  241   3HG2  THR  45          3HG2      THR  45  15.506   1.253   2.261
  242    H    VAL  46           H        VAL  46  12.558   2.004   3.974
  243    HA   VAL  46           HA       VAL  46  10.329   3.674   4.751
  244    HB   VAL  46           HB       VAL  46   9.169   1.954   3.181
  245   1HG1  VAL  46          1HG1      VAL  46  10.883   4.287   2.146
  246   2HG1  VAL  46          2HG1      VAL  46   9.321   4.512   2.899
  247   3HG1  VAL  46          3HG1      VAL  46   9.437   3.684   1.331
  248   1HG2  VAL  46          1HG2      VAL  46  11.119   0.674   2.667
  249   2HG2  VAL  46          2HG2      VAL  46  11.988   2.077   2.082
  250   3HG2  VAL  46          3HG2      VAL  46  10.604   1.471   1.181
  251    H    ALA  47           H        ALA  47   9.319   2.845   6.459
  252    HA   ALA  47           HA       ALA  47   9.666   0.015   7.040
  253   1HB   ALA  47          1HB       ALA  47   8.873   0.617   9.301
  254   2HB   ALA  47          2HB       ALA  47   8.661   2.266   8.765
  255   3HB   ALA  47          3HB       ALA  47  10.285   1.579   8.839
  256    H    LEU  48           H        LEU  48   8.063  -1.161   6.137
  257    HA   LEU  48           HA       LEU  48   5.435   0.082   5.960
  258   1HB   LEU  48          2HB       LEU  48   6.607  -2.263   4.572
  259   2HB   LEU  48          1HB       LEU  48   4.896  -1.861   4.465
  260    HG   LEU  48           HG       LEU  48   5.720   0.351   3.434
  261   1HD1  LEU  48          1HD1      LEU  48   7.935   0.241   2.388
  262   2HD1  LEU  48          2HD1      LEU  48   8.188  -1.279   3.277
  263   3HD1  LEU  48          3HD1      LEU  48   7.941   0.223   4.162
  264   1HD2  LEU  48          1HD2      LEU  48   5.984  -0.701   1.196
  265   2HD2  LEU  48          2HD2      LEU  48   4.628  -1.371   2.093
  266   3HD2  LEU  48          3HD2      LEU  48   6.140  -2.269   1.982
  267    H    ALA  49           H        ALA  49   3.922  -0.602   7.033
  268    HA   ALA  49           HA       ALA  49   4.014  -3.224   8.343
  269   1HB   ALA  49          1HB       ALA  49   4.411  -1.520  10.055
  270   2HB   ALA  49          2HB       ALA  49   2.827  -2.275  10.268
  271   3HB   ALA  49          3HB       ALA  49   2.958  -0.662   9.525
  272    H    LYS  50           H        LYS  50   2.257  -4.464   7.801
  273    HA   LYS  50           HA       LYS  50   0.292  -5.011   7.187
  274   1HB   LYS  50          2HB       LYS  50  -0.351  -2.102   7.478
  275   2HB   LYS  50          1HB       LYS  50  -1.505  -3.197   6.705
  276   1HG   LYS  50          2HG       LYS  50  -1.651  -4.490   8.450
  277   2HG   LYS  50          1HG       LYS  50  -0.337  -3.768   9.416
  278   1HD   LYS  50          2HD       LYS  50  -2.957  -2.422   8.618
  279   2HD   LYS  50          1HD       LYS  50  -2.669  -3.151  10.191
  280   1HE   LYS  50          2HE       LYS  50  -1.006  -0.893   9.055
  281   2HE   LYS  50          1HE       LYS  50  -2.375  -0.666  10.141
  282   1HZ   LYS  50          1HZ       LYS  50   0.066  -2.241  10.843
  283   2HZ   LYS  50          2HZ       LYS  50  -1.204  -1.851  11.868
  284   3HZ   LYS  50          3HZ       LYS  50  -0.216  -0.665  11.320
  285    H    VAL  51           H        VAL  51   2.586  -4.110   5.375
  286    HA   VAL  51           HA       VAL  51   1.113  -3.619   2.958
  287    HB   VAL  51           HB       VAL  51   3.316  -2.667   2.991
  288   1HG1  VAL  51          1HG1      VAL  51   5.364  -3.997   3.298
  289   2HG1  VAL  51          2HG1      VAL  51   4.375  -5.405   3.653
  290   3HG1  VAL  51          3HG1      VAL  51   4.354  -4.013   4.740
  291   1HG2  VAL  51          1HG2      VAL  51   4.538  -3.765   1.155
  292   2HG2  VAL  51          2HG2      VAL  51   2.848  -3.563   0.767
  293   3HG2  VAL  51          3HG2      VAL  51   3.455  -5.147   1.255
  294    H    ARG  52           H        ARG  52  -0.195  -5.310   2.485
  295    HA   ARG  52           HA       ARG  52   0.808  -7.375   0.881
  296   1HB   ARG  52          2HB       ARG  52   1.235  -8.140   3.311
  297   2HB   ARG  52          1HB       ARG  52  -0.496  -8.435   3.393
  298   1HG   ARG  52          2HG       ARG  52   1.392  -9.798   1.453
  299   2HG   ARG  52          1HG       ARG  52   0.875 -10.507   2.977
  300   1HD   ARG  52          2HD       ARG  52  -1.467 -10.440   2.125
  301   2HD   ARG  52          1HD       ARG  52  -0.866  -9.846   0.581
  302    HE   ARG  52           HE       ARG  52   0.219 -12.341   1.614
  303   1HH1  ARG  52          1HH1      ARG  52  -1.905 -10.821  -0.833
  304   2HH1  ARG  52          2HH1      ARG  52  -2.035 -12.235  -1.760
  305   1HH2  ARG  52          1HH2      ARG  52   0.011 -14.241   0.293
  306   2HH2  ARG  52          2HH2      ARG  52  -0.887 -14.234  -1.141
  307    H    SER  53           H        SER  53  -1.166  -8.053  -0.443
  308    HA   SER  53           HA       SER  53  -3.497  -8.478   1.029
  309   1HB   SER  53          2HB       SER  53  -3.681  -5.853   0.681
  310   2HB   SER  53          1HB       SER  53  -3.993  -6.360  -0.990
  311    HG   SER  53           HG       SER  53  -5.587  -6.577   1.219
  312    H    PHE  54           H        PHE  54  -5.427  -8.628  -0.642
  313    HA   PHE  54           HA       PHE  54  -4.811  -9.342  -3.230
  314   1HB   PHE  54          2HB       PHE  54  -5.275 -11.716  -3.274
  315   2HB   PHE  54          1HB       PHE  54  -3.858 -11.411  -2.276
  316    HD1  PHE  54           HD1      PHE  54  -6.909 -13.066  -2.547
  317    HD2  PHE  54           HD2      PHE  54  -4.335 -11.252   0.251
  318    HE1  PHE  54           HE1      PHE  54  -7.993 -14.373  -0.736
  319    HE2  PHE  54           HE2      PHE  54  -5.378 -12.524   2.079
  320    HZ   PHE  54           HZ       PHE  54  -7.221 -14.169   1.527
  321    H    GLY  55           H        GLY  55  -7.158  -9.330  -0.513
  322   1HA   GLY  55          2HA       GLY  55  -9.192  -8.438  -0.761
  323   2HA   GLY  55          1HA       GLY  55  -9.056  -8.666  -2.495
  324    H    THR  56           H        THR  56 -11.058  -9.400  -0.448
  325    HA   THR  56           HA       THR  56 -12.567 -10.875  -0.063
  326    HB   THR  56           HB       THR  56 -11.291 -12.367  -2.339
  327    HG1  THR  56           HG1      THR  56 -12.645 -11.240  -3.595
  328   1HG2  THR  56          1HG2      THR  56 -12.574 -13.978  -1.086
  329   2HG2  THR  56          2HG2      THR  56 -13.480 -13.594  -2.562
  330   3HG2  THR  56          3HG2      THR  56 -13.946 -12.885  -1.024
  331    H    GLU  57           H        GLU  57 -12.207 -11.935   1.938
  332    HA   GLU  57           HA       GLU  57 -10.197 -14.026   1.859
  333   1HB   GLU  57          2HB       GLU  57 -10.911 -12.380   4.235
  334   2HB   GLU  57          1HB       GLU  57  -9.923 -13.828   4.320
  335   1HG   GLU  57          2HG       GLU  57  -8.416 -12.655   2.694
  336   2HG   GLU  57          1HG       GLU  57  -9.334 -11.175   3.072
  337    H    ASP  58           H        ASP  58 -12.071 -13.803   4.715
  338    HA   ASP  58           HA       ASP  58 -12.694 -16.525   4.690
  339   1HB   ASP  58          2HB       ASP  58 -13.694 -14.307   6.452
  340   2HB   ASP  58          1HB       ASP  58 -14.247 -15.965   6.629
  341    H    ARG  59           H        ARG  59 -14.412 -14.023   3.136
  342    HA   ARG  59           HA       ARG  59 -16.539 -15.927   2.669
  343   1HB   ARG  59          2HB       ARG  59 -16.987 -12.948   3.020
  344   2HB   ARG  59          1HB       ARG  59 -18.194 -14.178   2.729
  345   1HG   ARG  59          2HG       ARG  59 -17.677 -15.163   4.961
  346   2HG   ARG  59          1HG       ARG  59 -16.583 -13.826   5.255
  347   1HD   ARG  59          2HD       ARG  59 -18.706 -13.351   6.283
  348   2HD   ARG  59          1HD       ARG  59 -18.497 -12.251   4.919
  349    HE   ARG  59           HE       ARG  59 -19.899 -14.743   4.474
  350   1HH1  ARG  59          1HH1      ARG  59 -20.170 -11.182   4.844
  351   2HH1  ARG  59          2HH1      ARG  59 -21.750 -11.085   4.274
  352   1HH2  ARG  59          1HH2      ARG  59 -22.111 -14.600   3.707
  353   2HH2  ARG  59          2HH2      ARG  59 -22.930 -13.115   3.625
  354    HA   PRO  60           HA       PRO  60 -15.131 -14.589  -1.359
  355   1HB   PRO  60          2HB       PRO  60 -17.631 -15.758  -2.376
  356   2HB   PRO  60          1HB       PRO  60 -15.962 -16.193  -2.782
  357   1HG   PRO  60          2HG       PRO  60 -17.526 -17.783  -1.308
  358   2HG   PRO  60          1HG       PRO  60 -15.784 -17.658  -1.028
  359   1HD   PRO  60          2HD       PRO  60 -18.027 -16.430   0.534
  360   2HD   PRO  60          1HD       PRO  60 -16.488 -17.127   1.085
  361    H    THR  61           H        THR  61 -15.697 -12.407  -0.562
  362    HA   THR  61           HA       THR  61 -18.197 -11.311  -1.307
  363    HB   THR  61           HB       THR  61 -16.587 -10.146   0.327
  364    HG1  THR  61           HG1      THR  61 -18.435  -9.188  -0.922
  365   1HG2  THR  61          1HG2      THR  61 -15.287  -9.205  -2.256
  366   2HG2  THR  61          2HG2      THR  61 -14.529 -10.271  -1.097
  367   3HG2  THR  61          3HG2      THR  61 -14.900  -8.604  -0.656
  368    H    ASP  62           H        ASP  62 -17.676  -9.143  -2.893
  369    HA   ASP  62           HA       ASP  62 -16.909 -10.273  -5.495
  370   1HB   ASP  62          2HB       ASP  62 -19.135  -9.885  -6.497
  371   2HB   ASP  62          1HB       ASP  62 -19.201 -11.073  -5.213
  372    H    ARG  63           H        ARG  63 -18.316  -7.612  -3.737
  373    HA   ARG  63           HA       ARG  63 -17.788  -5.807  -5.941
  374   1HB   ARG  63          2HB       ARG  63 -20.026  -5.957  -4.873
  375   2HB   ARG  63          1HB       ARG  63 -19.375  -5.310  -3.392
  376   1HG   ARG  63          2HG       ARG  63 -18.855  -3.243  -4.555
  377   2HG   ARG  63          1HG       ARG  63 -19.560  -3.915  -6.039
  378   1HD   ARG  63          2HD       ARG  63 -20.942  -3.399  -3.408
  379   2HD   ARG  63          1HD       ARG  63 -21.284  -2.628  -4.961
  380    HE   ARG  63           HE       ARG  63 -21.631  -5.321  -5.367
  381   1HH1  ARG  63          1HH1      ARG  63 -23.187  -2.797  -3.400
  382   2HH1  ARG  63          2HH1      ARG  63 -24.633  -3.660  -3.171
  383   1HH2  ARG  63          1HH2      ARG  63 -23.655  -6.522  -5.044
  384   2HH2  ARG  63          2HH2      ARG  63 -24.904  -5.830  -4.133
  385    HA   PRO  64           HA       PRO  64 -15.164  -3.585  -2.699
  386   1HB   PRO  64          2HB       PRO  64 -15.342  -4.518  -0.035
  387   2HB   PRO  64          1HB       PRO  64 -16.170  -3.121  -0.708
  388   1HG   PRO  64          2HG       PRO  64 -17.423  -5.456   0.186
  389   2HG   PRO  64          1HG       PRO  64 -18.150  -4.258  -0.903
  390   1HD   PRO  64          2HD       PRO  64 -16.733  -6.813  -1.538
  391   2HD   PRO  64          1HD       PRO  64 -18.245  -6.214  -2.238
  392    H    ILE  65           H        ILE  65 -13.309  -4.445  -3.551
  393    HA   ILE  65           HA       ILE  65 -12.036  -6.656  -2.080
  394    HB   ILE  65           HB       ILE  65 -11.061  -5.657  -4.767
  395   1HG1  ILE  65          2HG1      ILE  65 -13.445  -6.418  -5.083
  396   2HG1  ILE  65          1HG1      ILE  65 -12.289  -7.492  -5.870
  397   1HG2  ILE  65          1HG2      ILE  65 -10.781  -8.241  -3.313
  398   2HG2  ILE  65          2HG2      ILE  65  -9.664  -6.939  -3.250
  399   3HG2  ILE  65          3HG2      ILE  65  -9.916  -7.794  -4.815
  400   1HD1  ILE  65          1HD1      ILE  65 -13.693  -7.970  -3.248
  401   2HD1  ILE  65          2HD1      ILE  65 -12.531  -9.063  -4.022
  402   3HD1  ILE  65          3HD1      ILE  65 -14.073  -8.733  -4.789
  403    H    ALA  66           H        ALA  66  -9.853  -6.374  -1.476
  404    HA   ALA  66           HA       ALA  66  -8.937  -3.667  -1.109
  405   1HB   ALA  66          1HB       ALA  66  -8.634  -5.312   0.676
  406   2HB   ALA  66          2HB       ALA  66  -7.085  -4.719   0.074
  407   3HB   ALA  66          3HB       ALA  66  -7.661  -6.306  -0.413
  408    HA   PRO  67           HA       PRO  67  -6.410  -4.261  -4.866
  409   1HB   PRO  67          2HB       PRO  67  -6.276  -1.640  -5.553
  410   2HB   PRO  67          1HB       PRO  67  -7.733  -2.586  -5.859
  411   1HG   PRO  67          2HG       PRO  67  -7.190  -0.572  -3.753
  412   2HG   PRO  67          1HG       PRO  67  -8.711  -0.965  -4.589
  413   1HD   PRO  67          2HD       PRO  67  -7.888  -1.831  -2.040
  414   2HD   PRO  67          1HD       PRO  67  -9.291  -2.427  -2.953
  415    H    ARG  68           H        ARG  68  -5.483  -4.582  -2.523
  416    HA   ARG  68           HA       ARG  68  -3.427  -4.772  -1.511
  417   1HB   ARG  68          2HB       ARG  68  -2.797  -1.907  -2.266
  418   2HB   ARG  68          1HB       ARG  68  -1.745  -2.940  -1.331
  419   1HG   ARG  68          2HG       ARG  68  -2.536  -3.313  -4.223
  420   2HG   ARG  68          1HG       ARG  68  -0.934  -2.918  -3.602
  421   1HD   ARG  68          2HD       ARG  68  -0.908  -5.140  -2.453
  422   2HD   ARG  68          1HD       ARG  68  -2.458  -5.505  -3.205
  423    HE   ARG  68           HE       ARG  68  -0.377  -4.753  -5.048
  424   1HH1  ARG  68          1HH1      ARG  68  -1.958  -7.504  -3.474
  425   2HH1  ARG  68          2HH1      ARG  68  -1.416  -8.616  -4.651
  426   1HH2  ARG  68          1HH2      ARG  68   0.323  -6.166  -6.530
  427   2HH2  ARG  68          2HH2      ARG  68  -0.049  -7.844  -6.522
  428    H    ASP  69           H        ASP  69  -2.345  -3.296   0.506
  429    HA   ASP  69           HA       ASP  69  -2.707  -2.501   2.606
  430   1HB   ASP  69          2HB       ASP  69  -5.537  -2.071   1.653
  431   2HB   ASP  69          1HB       ASP  69  -5.100  -1.783   3.319
  432    H    GLU  70           H        GLU  70  -2.178  -4.313   3.905
  433    HA   GLU  70           HA       GLU  70  -3.490  -5.136   5.977
  434   1HB   GLU  70          2HB       GLU  70  -5.505  -5.812   4.728
  435   2HB   GLU  70          1HB       GLU  70  -4.562  -7.060   3.907
  436   1HG   GLU  70          2HG       GLU  70  -4.177  -8.164   6.018
  437   2HG   GLU  70          1HG       GLU  70  -5.062  -6.916   6.873
  438    H    THR  71           H        THR  71  -1.757  -6.016   7.130
  439    HA   THR  71           HA       THR  71  -1.224  -8.741   6.770
  440    HB   THR  71           HB       THR  71   0.457  -7.698   5.027
  441    HG1  THR  71           HG1      THR  71   0.595  -9.917   5.871
  442   1HG2  THR  71          1HG2      THR  71   1.922  -7.148   7.615
  443   2HG2  THR  71          2HG2      THR  71   1.579  -5.979   6.295
  444   3HG2  THR  71          3HG2      THR  71   2.703  -7.283   6.059
  445    H    PHE  72           H        PHE  72   0.234  -9.608   8.398
  446    HA   PHE  72           HA       PHE  72   0.120  -7.922  10.816
  447   1HB   PHE  72          2HB       PHE  72  -1.230 -10.050  10.768
  448   2HB   PHE  72          1HB       PHE  72   0.308 -10.898  10.595
  449    HD1  PHE  72           HD1      PHE  72  -1.663  -8.777  12.930
  450    HD2  PHE  72           HD2      PHE  72   1.632 -11.441  12.450
  451    HE1  PHE  72           HE1      PHE  72  -1.411  -8.912  15.389
  452    HE2  PHE  72           HE2      PHE  72   1.880 -11.571  14.903
  453    HZ   PHE  72           HZ       PHE  72   0.335 -10.260  16.370
  454    H    GLU  73           H        GLU  73   2.168  -9.721   8.695
  455    HA   GLU  73           HA       GLU  73   4.297 -10.265  10.578
  456   1HB   GLU  73          2HB       GLU  73   3.517 -11.381   8.256
  457   2HB   GLU  73          1HB       GLU  73   4.763 -10.312   7.655
  458   1HG   GLU  73          2HG       GLU  73   5.825 -12.367   8.040
  459   2HG   GLU  73          1HG       GLU  73   6.291 -11.312   9.378
  460    H    TYR  74           H        TYR  74   3.902  -8.312   7.754
  461    HA   TYR  74           HA       TYR  74   4.965  -6.567   6.763
  462   1HB   TYR  74          2HB       TYR  74   5.399  -4.567   8.018
  463   2HB   TYR  74          1HB       TYR  74   3.841  -5.255   8.462
  464    HD1  TYR  74           HD1      TYR  74   3.398  -5.730  10.635
  465    HD2  TYR  74           HD2      TYR  74   7.317  -4.802   9.522
  466    HE1  TYR  74           HE1      TYR  74   4.015  -5.640  13.067
  467    HE2  TYR  74           HE2      TYR  74   8.014  -4.669  11.914
  468    HH   TYR  74           HH       TYR  74   6.985  -4.335  14.098
  469    H    ILE  75           H        ILE  75   6.945  -5.062   6.428
  470    HA   ILE  75           HA       ILE  75   9.353  -6.256   7.368
  471    HB   ILE  75           HB       ILE  75  10.321  -6.666   5.128
  472   1HG1  ILE  75          2HG1      ILE  75   8.693  -5.362   3.775
  473   2HG1  ILE  75          1HG1      ILE  75   9.018  -6.952   3.094
  474   1HG2  ILE  75          1HG2      ILE  75   8.054  -8.480   5.795
  475   2HG2  ILE  75          2HG2      ILE  75   9.706  -8.581   6.393
  476   3HG2  ILE  75          3HG2      ILE  75   9.358  -8.887   4.683
  477   1HD1  ILE  75          1HD1      ILE  75   6.548  -6.109   4.623
  478   2HD1  ILE  75          2HD1      ILE  75   6.880  -7.729   4.031
  479   3HD1  ILE  75          3HD1      ILE  75   6.686  -6.413   2.886
  480    H    ILE  76           H        ILE  76  11.208  -5.020   6.773
  481    HA   ILE  76           HA       ILE  76  10.466  -2.247   6.083
  482    HB   ILE  76           HB       ILE  76  12.932  -3.215   7.531
  483   1HG1  ILE  76          2HG1      ILE  76  11.069  -3.783   8.960
  484   2HG1  ILE  76          1HG1      ILE  76  11.847  -2.359   9.634
  485   1HG2  ILE  76          1HG2      ILE  76  11.785  -0.430   7.257
  486   2HG2  ILE  76          2HG2      ILE  76  13.191  -1.011   6.432
  487   3HG2  ILE  76          3HG2      ILE  76  13.212  -0.849   8.185
  488   1HD1  ILE  76          1HD1      ILE  76   9.320  -2.386   7.987
  489   2HD1  ILE  76          2HD1      ILE  76  10.055  -0.970   8.746
  490   3HD1  ILE  76          3HD1      ILE  76   9.401  -2.261   9.747
  491    H    PHE  77           H        PHE  77  11.479  -1.371   4.277
  492    HA   PHE  77           HA       PHE  77  13.373  -3.203   3.011
  493   1HB   PHE  77          2HB       PHE  77  11.900  -0.843   1.812
  494   2HB   PHE  77          1HB       PHE  77  12.992  -1.924   0.964
  495    HD1  PHE  77           HD1      PHE  77  12.013  -3.543  -0.356
  496    HD2  PHE  77           HD2      PHE  77   9.947  -2.166   3.096
  497    HE1  PHE  77           HE1      PHE  77  10.067  -4.965  -0.918
  498    HE2  PHE  77           HE2      PHE  77   8.023  -3.587   2.526
  499    HZ   PHE  77           HZ       PHE  77   8.098  -4.983   0.517
  500    H    ARG  78           H        ARG  78  15.472  -2.470   2.408
  501    HA   ARG  78           HA       ARG  78  16.190  -0.067   3.756
  502   1HB   ARG  78          2HB       ARG  78  17.677  -2.654   3.364
  503   2HB   ARG  78          1HB       ARG  78  18.512  -1.166   3.708
  504   1HG   ARG  78          2HG       ARG  78  18.249  -2.456   5.735
  505   2HG   ARG  78          1HG       ARG  78  17.285  -1.010   5.877
  506   1HD   ARG  78          2HD       ARG  78  15.254  -2.329   5.289
  507   2HD   ARG  78          1HD       ARG  78  16.270  -3.779   5.203
  508    HE   ARG  78           HE       ARG  78  16.333  -2.285   7.683
  509   1HH1  ARG  78          1HH1      ARG  78  14.886  -5.008   5.929
  510   2HH1  ARG  78          2HH1      ARG  78  14.476  -5.864   7.334
  511   1HH2  ARG  78          1HH2      ARG  78  15.694  -3.440   9.627
  512   2HH2  ARG  78          2HH2      ARG  78  14.959  -4.966   9.472
  513    H    GLY  79           H        GLY  79  17.424   1.064   2.882
  514   1HA   GLY  79          2HA       GLY  79  17.519   2.086   0.299
  515   2HA   GLY  79          1HA       GLY  79  18.771   2.329   1.435
  516    H    SER  80           H        SER  80  19.381  -0.450   1.675
  517    HA   SER  80           HA       SER  80  21.267  -0.652  -0.529
  518   1HB   SER  80          2HB       SER  80  22.210  -2.454   1.001
  519   2HB   SER  80          1HB       SER  80  22.191  -0.804   1.638
  520    HG   SER  80           HG       SER  80  20.317  -2.894   2.269
  521    H    ASP  81           H        ASP  81  18.256  -1.814   0.344
  522    HA   ASP  81           HA       ASP  81  18.626  -4.318  -1.140
  523   1HB   ASP  81          2HB       ASP  81  16.789  -3.794   1.221
  524   2HB   ASP  81          1HB       ASP  81  16.823  -5.272   0.276
  525    H    ILE  82           H        ILE  82  17.035  -1.337  -1.166
  526    HA   ILE  82           HA       ILE  82  14.716  -2.320  -2.591
  527    HB   ILE  82           HB       ILE  82  14.198   0.070  -3.068
  528   1HG1  ILE  82          2HG1      ILE  82  16.610   0.596  -1.324
  529   2HG1  ILE  82          1HG1      ILE  82  16.505   0.985  -3.038
  530   1HG2  ILE  82          1HG2      ILE  82  13.243  -1.056  -1.167
  531   2HG2  ILE  82          2HG2      ILE  82  13.577   0.624  -0.762
  532   3HG2  ILE  82          3HG2      ILE  82  14.645  -0.651  -0.182
  533   1HD1  ILE  82          1HD1      ILE  82  14.892   2.169  -0.809
  534   2HD1  ILE  82          2HD1      ILE  82  14.687   2.577  -2.520
  535   3HD1  ILE  82          3HD1      ILE  82  16.199   2.963  -1.677
  536    H    LYS  83           H        LYS  83  14.246  -2.327  -4.696
  537    HA   LYS  83           HA       LYS  83  16.315  -1.577  -6.613
  538   1HB   LYS  83          2HB       LYS  83  13.873  -3.320  -6.774
  539   2HB   LYS  83          1HB       LYS  83  14.725  -2.787  -8.219
  540   1HG   LYS  83          2HG       LYS  83  16.053  -4.253  -5.959
  541   2HG   LYS  83          1HG       LYS  83  15.299  -5.070  -7.327
  542   1HD   LYS  83          2HD       LYS  83  16.772  -3.924  -8.889
  543   2HD   LYS  83          1HD       LYS  83  17.492  -2.998  -7.583
  544   1HE   LYS  83          2HE       LYS  83  17.600  -6.004  -7.711
  545   2HE   LYS  83          1HE       LYS  83  18.836  -4.994  -8.434
  546   1HZ   LYS  83          1HZ       LYS  83  19.420  -5.759  -6.219
  547   2HZ   LYS  83          2HZ       LYS  83  18.101  -4.898  -5.539
  548   3HZ   LYS  83          3HZ       LYS  83  19.342  -4.087  -6.358
  549    H    ASP  84           H        ASP  84  12.720  -1.341  -6.494
  550    HA   ASP  84           HA       ASP  84  12.945   1.391  -7.505
  551   1HB   ASP  84          2HB       ASP  84  11.515  -0.824  -8.913
  552   2HB   ASP  84          1HB       ASP  84  11.015   0.851  -9.113
  553    H    LEU  85           H        LEU  85  11.170   2.698  -7.228
  554    HA   LEU  85           HA       LEU  85   9.110   1.683  -5.420
  555   1HB   LEU  85          2HB       LEU  85  10.862   2.691  -4.096
  556   2HB   LEU  85          1HB       LEU  85  10.811   4.148  -5.073
  557    HG   LEU  85           HG       LEU  85   8.471   4.537  -4.240
  558   1HD1  LEU  85          1HD1      LEU  85   7.904   2.260  -3.672
  559   2HD1  LEU  85          2HD1      LEU  85   7.691   3.338  -2.299
  560   3HD1  LEU  85          3HD1      LEU  85   9.097   2.275  -2.374
  561   1HD2  LEU  85          1HD2      LEU  85  10.352   5.695  -3.240
  562   2HD2  LEU  85          2HD2      LEU  85  10.614   4.350  -2.119
  563   3HD2  LEU  85          3HD2      LEU  85   9.147   5.318  -2.011
  564    H    THR  86           H        THR  86   7.122   2.340  -6.033
  565    HA   THR  86           HA       THR  86   6.815   4.883  -7.369
  566    HB   THR  86           HB       THR  86   6.904   3.201  -9.220
  567    HG1  THR  86           HG1      THR  86   5.379   4.343 -10.145
  568   1HG2  THR  86          1HG2      THR  86   6.088   1.237  -7.932
  569   2HG2  THR  86          2HG2      THR  86   5.185   1.480  -9.434
  570   3HG2  THR  86          3HG2      THR  86   4.479   1.968  -7.905
  571    H    VAL  87           H        VAL  87   4.458   5.508  -7.308
  572    HA   VAL  87           HA       VAL  87   3.289   4.488  -4.814
  573    HB   VAL  87           HB       VAL  87   4.071   6.831  -4.630
  574   1HG1  VAL  87          1HG1      VAL  87   3.874   7.542  -6.921
  575   2HG1  VAL  87          2HG1      VAL  87   2.958   8.650  -5.896
  576   3HG1  VAL  87          3HG1      VAL  87   2.118   7.428  -6.856
  577   1HG2  VAL  87          1HG2      VAL  87   1.960   7.855  -3.809
  578   2HG2  VAL  87          2HG2      VAL  87   2.198   6.212  -3.247
  579   3HG2  VAL  87          3HG2      VAL  87   1.061   6.531  -4.566
  580    H    CYS  88           H        CYS  88   1.102   3.972  -4.797
  581    HA   CYS  88           HA       CYS  88  -0.062   3.771  -7.459
  582   1HB   CYS  88          2HB       CYS  88   0.063   1.717  -6.072
  583   2HB   CYS  88          1HB       CYS  88  -0.949   2.493  -4.857
  584    HG   CYS  88           HG       CYS  88  -1.905   0.570  -7.143
  585    H    GLU  89           H        GLU  89  -0.836   5.008  -4.214
  586    HA   GLU  89           HA       GLU  89  -2.586   6.941  -5.505
  587   1HB   GLU  89          2HB       GLU  89  -4.097   5.195  -4.701
  588   2HB   GLU  89          1HB       GLU  89  -3.373   5.276  -3.104
  589   1HG   GLU  89          2HG       GLU  89  -4.134   7.649  -2.919
  590   2HG   GLU  89          1HG       GLU  89  -4.937   7.482  -4.464
  591    HA   PRO  90           HA       PRO  90  -0.273   9.307  -2.424
  592   1HB   PRO  90          2HB       PRO  90  -1.212  11.663  -3.837
  593   2HB   PRO  90          1HB       PRO  90   0.443  11.069  -3.729
  594   1HG   PRO  90          2HG       PRO  90  -1.020  11.065  -6.037
  595   2HG   PRO  90          1HG       PRO  90   0.303   9.929  -5.704
  596   1HD   PRO  90          2HD       PRO  90  -2.659   9.506  -5.542
  597   2HD   PRO  90          1HD       PRO  90  -1.379   8.406  -6.090
  598    HA   PRO  91           HA       PRO  91  -4.333   9.738  -0.596
  599   1HB   PRO  91          2HB       PRO  91  -3.471   9.711   2.027
  600   2HB   PRO  91          1HB       PRO  91  -3.864   8.284   1.068
  601   1HG   PRO  91          2HG       PRO  91  -1.238   9.278   1.914
  602   2HG   PRO  91          1HG       PRO  91  -1.716   7.687   1.313
  603   1HD   PRO  91          2HD       PRO  91  -0.355   9.765  -0.105
  604   2HD   PRO  91          1HD       PRO  91  -0.889   8.194  -0.736
  605    H    LYS  92           H        LYS  92  -5.472  11.404  -0.136
  606    HA   LYS  92           HA       LYS  92  -6.210  13.451   0.483
  607   1HB   LYS  92          2HB       LYS  92  -5.190  13.078   2.669
  608   2HB   LYS  92          1HB       LYS  92  -3.629  13.598   2.071
  609   1HG   LYS  92          2HG       LYS  92  -4.434  15.850   1.828
  610   2HG   LYS  92          1HG       LYS  92  -6.068  15.348   2.280
  611   1HD   LYS  92          2HD       LYS  92  -5.276  14.671   4.477
  612   2HD   LYS  92          1HD       LYS  92  -3.634  15.139   4.042
  613   1HE   LYS  92          2HE       LYS  92  -4.799  16.826   5.387
  614   2HE   LYS  92          1HE       LYS  92  -4.290  17.428   3.804
  615   1HZ   LYS  92          1HZ       LYS  92  -7.070  16.587   4.520
  616   2HZ   LYS  92          2HZ       LYS  92  -6.517  17.134   3.007
  617   3HZ   LYS  92          3HZ       LYS  92  -6.514  18.170   4.271
  618    HA   PRO  93           HA       PRO  93  -4.138  15.328  -3.065
  619   1HB   PRO  93          2HB       PRO  93  -6.818  16.025  -3.929
  620   2HB   PRO  93          1HB       PRO  93  -5.650  14.949  -4.693
  621   1HG   PRO  93          2HG       PRO  93  -7.961  14.067  -3.553
  622   2HG   PRO  93          1HG       PRO  93  -6.502  13.077  -3.672
  623   1HD   PRO  93          2HD       PRO  93  -7.557  14.613  -1.329
  624   2HD   PRO  93          1HD       PRO  93  -6.813  12.996  -1.380
  625    H    ILE  94           H        ILE  94  -6.675  16.533  -0.981
  626    HA   ILE  94           HA       ILE  94  -5.678  19.237  -1.438
  627    HB   ILE  94           HB       ILE  94  -7.888  20.089  -0.654
  628   1HG1  ILE  94          2HG1      ILE  94  -8.793  17.210  -0.936
  629   2HG1  ILE  94          1HG1      ILE  94  -8.623  18.066   0.591
  630   1HG2  ILE  94          1HG2      ILE  94  -9.118  19.655  -2.713
  631   2HG2  ILE  94          2HG2      ILE  94  -8.019  18.342  -3.114
  632   3HG2  ILE  94          3HG2      ILE  94  -7.426  20.003  -3.038
  633   1HD1  ILE  94          1HD1      ILE  94 -10.941  17.939  -0.118
  634   2HD1  ILE  94          2HD1      ILE  94 -10.539  18.773  -1.628
  635   3HD1  ILE  94          3HD1      ILE  94 -10.382  19.613  -0.089
  636    H    MET  95           H        MET  95  -5.147  20.438   0.315
  637    HA   MET  95           HA       MET  95  -4.722  18.888   2.671
  638   1HB   MET  95          2HB       MET  95  -3.773  21.685   1.964
  639   2HB   MET  95          1HB       MET  95  -3.366  20.843   3.447
  640   1HG   MET  95          2HG       MET  95  -2.692  19.907   0.674
  641   2HG   MET  95          1HG       MET  95  -1.577  20.737   1.767
  642   1HE   MET  95          1HE       MET  95  -2.178  19.436   4.583
  643   2HE   MET  95          2HE       MET  95  -0.543  19.620   3.941
  644   3HE   MET  95          3HE       MET  95  -1.076  18.057   4.570
  Start of MODEL   10
    1    HA   PRO  16           HA       PRO  16  -8.050   0.067   6.543
    2   1HB   PRO  16          2HB       PRO  16  -7.685  -2.297   4.665
    3   2HB   PRO  16          1HB       PRO  16  -6.875  -1.971   6.239
    4   1HG   PRO  16          2HG       PRO  16  -8.858  -3.601   6.191
    5   2HG   PRO  16          1HG       PRO  16  -8.983  -2.257   7.357
    6   1HD   PRO  16          2HD       PRO  16 -10.142  -2.445   4.572
    7   2HD   PRO  16          1HD       PRO  16 -11.027  -2.099   6.098
    8    H    TYR  17           H        TYR  17  -7.415   1.979   5.674
    9    HA   TYR  17           HA       TYR  17  -5.884   1.832   3.159
   10   1HB   TYR  17          2HB       TYR  17  -6.724   4.011   2.430
   11   2HB   TYR  17          1HB       TYR  17  -8.092   2.940   2.677
   12    HD1  TYR  17           HD1      TYR  17  -6.564   6.101   3.555
   13    HD2  TYR  17           HD2      TYR  17  -9.464   3.258   4.850
   14    HE1  TYR  17           HE1      TYR  17  -7.559   7.782   5.021
   15    HE2  TYR  17           HE2      TYR  17 -10.464   4.937   6.315
   16    HH   TYR  17           HH       TYR  17  -9.771   8.222   6.111
   17    H    ILE  18           H        ILE  18  -5.496   2.039   6.239
   18    HA   ILE  18           HA       ILE  18  -4.429   4.667   6.616
   19    HB   ILE  18           HB       ILE  18  -4.239   2.300   8.460
   20   1HG1  ILE  18          2HG1      ILE  18  -5.954   3.648   9.876
   21   2HG1  ILE  18          1HG1      ILE  18  -6.118   4.647   8.435
   22   1HG2  ILE  18          1HG2      ILE  18  -2.447   3.840   8.970
   23   2HG2  ILE  18          2HG2      ILE  18  -3.654   3.922  10.244
   24   3HG2  ILE  18          3HG2      ILE  18  -3.581   5.194   9.013
   25   1HD1  ILE  18          1HD1      ILE  18  -7.005   2.771   7.182
   26   2HD1  ILE  18          2HD1      ILE  18  -7.947   2.993   8.660
   27   3HD1  ILE  18          3HD1      ILE  18  -6.778   1.695   8.560
   28    H    GLY  19           H        GLY  19  -2.769   5.111   5.630
   29   1HA   GLY  19          2HA       GLY  19  -0.250   4.979   6.121
   30   2HA   GLY  19          1HA       GLY  19  -0.419   3.323   5.544
   31    H    SER  20           H        SER  20   1.262   4.225   4.012
   32    HA   SER  20           HA       SER  20   0.089   5.846   1.854
   33   1HB   SER  20          2HB       SER  20   2.916   4.800   2.179
   34   2HB   SER  20          1HB       SER  20   2.371   5.992   1.008
   35    HG   SER  20           HG       SER  20   2.186   6.307   3.813
   36    H    LYS  21           H        LYS  21  -0.765   4.841   0.054
   37    HA   LYS  21           HA       LYS  21  -0.439   1.943  -0.080
   38   1HB   LYS  21          2HB       LYS  21  -2.165   3.579  -1.968
   39   2HB   LYS  21          1HB       LYS  21  -2.284   1.879  -1.576
   40   1HG   LYS  21          2HG       LYS  21  -4.153   2.863  -0.578
   41   2HG   LYS  21          1HG       LYS  21  -3.011   2.681   0.762
   42   1HD   LYS  21          2HD       LYS  21  -2.387   4.978   0.645
   43   2HD   LYS  21          1HD       LYS  21  -3.302   5.225  -0.844
   44   1HE   LYS  21          2HE       LYS  21  -5.364   4.669   0.480
   45   2HE   LYS  21          1HE       LYS  21  -4.349   4.692   1.929
   46   1HZ   LYS  21          1HZ       LYS  21  -3.769   6.981   1.472
   47   2HZ   LYS  21          2HZ       LYS  21  -5.432   6.876   1.509
   48   3HZ   LYS  21          3HZ       LYS  21  -4.599   6.916   0.021
   49    H    ILE  22           H        ILE  22   1.587   1.636  -0.968
   50    HA   ILE  22           HA       ILE  22   1.857   2.586  -3.702
   51    HB   ILE  22           HB       ILE  22   4.155   3.373  -3.471
   52   1HG1  ILE  22          2HG1      ILE  22   5.095   3.755  -1.057
   53   2HG1  ILE  22          1HG1      ILE  22   3.921   2.480  -0.632
   54   1HG2  ILE  22          1HG2      ILE  22   3.855   5.386  -2.140
   55   2HG2  ILE  22          2HG2      ILE  22   2.511   4.610  -1.304
   56   3HG2  ILE  22          3HG2      ILE  22   2.368   4.962  -3.016
   57   1HD1  ILE  22          1HD1      ILE  22   6.216   1.682  -0.859
   58   2HD1  ILE  22          2HD1      ILE  22   6.222   2.214  -2.544
   59   3HD1  ILE  22          3HD1      ILE  22   5.128   0.935  -2.032
   60    H    SER  23           H        SER  23   4.050   1.603  -4.478
   61    HA   SER  23           HA       SER  23   4.264  -1.187  -3.589
   62   1HB   SER  23          2HB       SER  23   4.430  -1.914  -5.959
   63   2HB   SER  23          1HB       SER  23   2.843  -1.273  -5.575
   64    HG   SER  23           HG       SER  23   4.732   0.527  -6.504
   65    H    LEU  24           H        LEU  24   6.395  -1.909  -3.387
   66    HA   LEU  24           HA       LEU  24   8.456  -0.221  -4.587
   67   1HB   LEU  24          2HB       LEU  24   8.095   0.703  -2.313
   68   2HB   LEU  24          1HB       LEU  24   8.274  -0.879  -1.618
   69    HG   LEU  24           HG       LEU  24  10.574   0.442  -3.034
   70   1HD1  LEU  24          1HD1      LEU  24   9.757   1.969  -1.281
   71   2HD1  LEU  24          2HD1      LEU  24  11.251   1.190  -0.778
   72   3HD1  LEU  24          3HD1      LEU  24   9.701   0.625  -0.146
   73   1HD2  LEU  24          1HD2      LEU  24  10.697  -1.983  -2.487
   74   2HD2  LEU  24          2HD2      LEU  24  10.412  -1.581  -0.795
   75   3HD2  LEU  24          3HD2      LEU  24  11.871  -1.010  -1.607
   76    H    ILE  25           H        ILE  25  10.286  -1.263  -4.966
   77    HA   ILE  25           HA       ILE  25  10.096  -4.179  -4.714
   78    HB   ILE  25           HB       ILE  25  11.519  -2.595  -6.870
   79   1HG1  ILE  25          2HG1      ILE  25   8.872  -4.066  -7.014
   80   2HG1  ILE  25          1HG1      ILE  25   9.046  -2.325  -6.975
   81   1HG2  ILE  25          1HG2      ILE  25  10.938  -5.545  -6.581
   82   2HG2  ILE  25          2HG2      ILE  25  12.501  -4.784  -6.479
   83   3HG2  ILE  25          3HG2      ILE  25  11.630  -4.806  -8.020
   84   1HD1  ILE  25          1HD1      ILE  25  10.213  -2.423  -9.147
   85   2HD1  ILE  25          2HD1      ILE  25   8.590  -3.104  -9.189
   86   3HD1  ILE  25          3HD1      ILE  25   9.977  -4.176  -9.148
   87    H    SER  26           H        SER  26  11.675  -5.107  -3.583
   88    HA   SER  26           HA       SER  26  13.876  -3.556  -2.590
   89   1HB   SER  26          2HB       SER  26  12.831  -5.372  -1.205
   90   2HB   SER  26          1HB       SER  26  13.465  -6.561  -2.346
   91    HG   SER  26           HG       SER  26  14.691  -6.128  -0.370
   92    H    LYS  27           H        LYS  27  16.130  -4.657  -2.734
   93    HA   LYS  27           HA       LYS  27  17.043  -4.128  -5.272
   94   1HB   LYS  27          2HB       LYS  27  19.208  -4.488  -4.492
   95   2HB   LYS  27          1HB       LYS  27  18.319  -4.049  -3.061
   96   1HG   LYS  27          2HG       LYS  27  19.046  -6.887  -3.839
   97   2HG   LYS  27          1HG       LYS  27  19.971  -5.889  -2.741
   98   1HD   LYS  27          2HD       LYS  27  17.085  -6.666  -2.225
   99   2HD   LYS  27          1HD       LYS  27  18.423  -7.695  -1.733
  100   1HE   LYS  27          2HE       LYS  27  17.877  -6.481   0.191
  101   2HE   LYS  27          1HE       LYS  27  19.282  -5.662  -0.464
  102   1HZ   LYS  27          1HZ       LYS  27  17.796  -3.941  -1.384
  103   2HZ   LYS  27          2HZ       LYS  27  17.690  -4.139   0.281
  104   3HZ   LYS  27          3HZ       LYS  27  16.469  -4.782  -0.689
  105    H    ALA  28           H        ALA  28  15.945  -7.097  -3.927
  106    HA   ALA  28           HA       ALA  28  17.184  -8.789  -5.960
  107   1HB   ALA  28          1HB       ALA  28  16.369 -10.630  -4.575
  108   2HB   ALA  28          2HB       ALA  28  15.551  -9.478  -3.506
  109   3HB   ALA  28          3HB       ALA  28  17.304  -9.483  -3.618
  110    H    GLU  29           H        GLU  29  14.988  -6.801  -6.445
  111    HA   GLU  29           HA       GLU  29  13.220  -6.585  -7.732
  112   1HB   GLU  29          2HB       GLU  29  14.242  -9.229  -8.551
  113   2HB   GLU  29          1HB       GLU  29  12.563  -8.954  -8.978
  114   1HG   GLU  29          2HG       GLU  29  14.230  -8.410 -10.757
  115   2HG   GLU  29          1HG       GLU  29  13.115  -7.129 -10.339
  116    H    ILE  30           H        ILE  30  12.887  -7.332  -5.035
  117    HA   ILE  30           HA       ILE  30  10.441  -8.933  -5.035
  118    HB   ILE  30           HB       ILE  30  11.833  -7.680  -2.657
  119   1HG1  ILE  30          2HG1      ILE  30  13.205  -9.445  -3.634
  120   2HG1  ILE  30          1HG1      ILE  30  12.552 -10.009  -2.097
  121   1HG2  ILE  30          1HG2      ILE  30   9.548  -9.648  -2.728
  122   2HG2  ILE  30          2HG2      ILE  30   9.470  -7.950  -2.228
  123   3HG2  ILE  30          3HG2      ILE  30  10.368  -9.106  -1.253
  124   1HD1  ILE  30          1HD1      ILE  30  10.855 -11.301  -3.353
  125   2HD1  ILE  30          2HD1      ILE  30  12.507 -11.764  -3.811
  126   3HD1  ILE  30          3HD1      ILE  30  11.561 -10.738  -4.864
  127    H    ARG  31           H        ARG  31   8.907  -7.833  -5.900
  128    HA   ARG  31           HA       ARG  31   8.326  -5.066  -5.202
  129   1HB   ARG  31          2HB       ARG  31   6.623  -5.088  -6.891
  130   2HB   ARG  31          1HB       ARG  31   8.049  -5.852  -7.572
  131   1HG   ARG  31          2HG       ARG  31   5.716  -7.356  -6.464
  132   2HG   ARG  31          1HG       ARG  31   5.852  -6.919  -8.171
  133   1HD   ARG  31          2HD       ARG  31   7.966  -8.257  -8.286
  134   2HD   ARG  31          1HD       ARG  31   7.750  -8.668  -6.591
  135    HE   ARG  31           HE       ARG  31   5.451  -9.426  -7.940
  136   1HH1  ARG  31          1HH1      ARG  31   8.896 -10.301  -7.860
  137   2HH1  ARG  31          2HH1      ARG  31   8.614 -11.957  -8.146
  138   1HH2  ARG  31          1HH2      ARG  31   5.089 -11.676  -8.368
  139   2HH2  ARG  31          2HH2      ARG  31   6.431 -12.756  -8.472
  140    H    TYR  32           H        TYR  32   6.768  -4.310  -3.858
  141    HA   TYR  32           HA       TYR  32   4.916  -6.353  -2.861
  142   1HB   TYR  32          2HB       TYR  32   5.267  -5.753  -0.566
  143   2HB   TYR  32          1HB       TYR  32   6.793  -5.531  -1.419
  144    HD1  TYR  32           HD1      TYR  32   8.109  -3.860  -0.696
  145    HD2  TYR  32           HD2      TYR  32   3.884  -3.298  -0.662
  146    HE1  TYR  32           HE1      TYR  32   8.400  -1.636   0.283
  147    HE2  TYR  32           HE2      TYR  32   4.170  -1.080   0.293
  148    HH   TYR  32           HH       TYR  32   5.903   0.105   1.666
  149    H    GLU  33           H        GLU  33   2.868  -5.411  -1.880
  150    HA   GLU  33           HA       GLU  33   2.068  -2.838  -2.994
  151   1HB   GLU  33          2HB       GLU  33   1.488  -4.585  -4.643
  152   2HB   GLU  33          1HB       GLU  33   0.653  -5.508  -3.396
  153   1HG   GLU  33          2HG       GLU  33  -1.026  -3.691  -3.239
  154   2HG   GLU  33          1HG       GLU  33  -0.124  -2.797  -4.461
  155    H    GLY  34           H        GLY  34   1.008  -1.771  -1.313
  156   1HA   GLY  34          2HA       GLY  34  -0.930  -2.636   0.371
  157   2HA   GLY  34          1HA       GLY  34   0.504  -3.213   1.167
  158    H    ILE  35           H        ILE  35   0.296  -1.743   3.067
  159    HA   ILE  35           HA       ILE  35   0.588   0.970   2.215
  160    HB   ILE  35           HB       ILE  35  -0.217   1.602   4.511
  161   1HG1  ILE  35          2HG1      ILE  35  -0.263  -0.727   5.453
  162   2HG1  ILE  35          1HG1      ILE  35  -1.719   0.210   5.743
  163   1HG2  ILE  35          1HG2      ILE  35  -2.607   1.608   3.817
  164   2HG2  ILE  35          2HG2      ILE  35  -2.141   0.585   2.446
  165   3HG2  ILE  35          3HG2      ILE  35  -1.459   2.208   2.620
  166   1HD1  ILE  35          1HD1      ILE  35  -1.380  -1.980   3.689
  167   2HD1  ILE  35          2HD1      ILE  35  -2.822  -1.008   3.919
  168   3HD1  ILE  35          3HD1      ILE  35  -2.285  -2.083   5.200
  169    H    LEU  36           H        LEU  36   2.282   1.851   2.441
  170    HA   LEU  36           HA       LEU  36   4.471   0.937   4.095
  171   1HB   LEU  36          2HB       LEU  36   4.892   1.751   1.878
  172   2HB   LEU  36          1HB       LEU  36   4.085   3.259   2.218
  173    HG   LEU  36           HG       LEU  36   6.666   2.485   3.603
  174   1HD1  LEU  36          1HD1      LEU  36   6.921   2.342   1.211
  175   2HD1  LEU  36          2HD1      LEU  36   7.790   3.765   1.830
  176   3HD1  LEU  36          3HD1      LEU  36   6.243   3.949   0.994
  177   1HD2  LEU  36          1HD2      LEU  36   6.890   4.935   3.857
  178   2HD2  LEU  36          2HD2      LEU  36   5.357   4.371   4.522
  179   3HD2  LEU  36          3HD2      LEU  36   5.394   5.155   2.945
  180    H    TYR  37           H        TYR  37   5.440   2.092   5.867
  181    HA   TYR  37           HA       TYR  37   3.478   3.766   7.281
  182   1HB   TYR  37          2HB       TYR  37   4.284   1.472   8.160
  183   2HB   TYR  37          1HB       TYR  37   5.794   2.251   8.476
  184    HD1  TYR  37           HD1      TYR  37   2.256   2.089   9.585
  185    HD2  TYR  37           HD2      TYR  37   6.099   3.776  10.316
  186    HE1  TYR  37           HE1      TYR  37   1.493   2.880  11.786
  187    HE2  TYR  37           HE2      TYR  37   5.347   4.557  12.500
  188    HH   TYR  37           HH       TYR  37   2.513   3.510  13.996
  189    H    THR  38           H        THR  38   7.026   3.300   6.826
  190    HA   THR  38           HA       THR  38   7.486   6.188   7.013
  191    HB   THR  38           HB       THR  38   9.032   4.080   8.533
  192    HG1  THR  38           HG1      THR  38   7.646   6.112   9.928
  193   1HG2  THR  38          1HG2      THR  38  10.115   5.996   9.677
  194   2HG2  THR  38          2HG2      THR  38   9.241   7.114   8.631
  195   3HG2  THR  38          3HG2      THR  38  10.426   5.993   7.944
  196    H    ILE  39           H        ILE  39   9.572   6.700   5.792
  197    HA   ILE  39           HA       ILE  39  10.946   4.449   4.758
  198    HB   ILE  39           HB       ILE  39   8.780   4.587   3.492
  199   1HG1  ILE  39          2HG1      ILE  39  10.472   3.292   2.693
  200   2HG1  ILE  39          1HG1      ILE  39   9.723   4.031   1.295
  201   1HG2  ILE  39          1HG2      ILE  39   8.474   6.907   3.164
  202   2HG2  ILE  39          2HG2      ILE  39   8.527   6.090   1.598
  203   3HG2  ILE  39          3HG2      ILE  39   9.925   7.007   2.160
  204   1HD1  ILE  39          1HD1      ILE  39  11.602   5.634   1.187
  205   2HD1  ILE  39          2HD1      ILE  39  12.128   3.932   0.986
  206   3HD1  ILE  39          3HD1      ILE  39  12.339   4.780   2.542
  207    H    ASP  40           H        ASP  40  12.837   5.271   5.320
  208    HA   ASP  40           HA       ASP  40  13.855   7.539   3.682
  209   1HB   ASP  40          2HB       ASP  40  14.751   6.764   6.383
  210   2HB   ASP  40          1HB       ASP  40  15.677   7.807   5.359
  211    H    THR  41           H        THR  41  15.512   7.250   2.498
  212    HA   THR  41           HA       THR  41  16.375   4.595   2.156
  213    HB   THR  41           HB       THR  41  16.118   6.064   0.172
  214    HG1  THR  41           HG1      THR  41  17.571   4.290  -0.004
  215   1HG2  THR  41          1HG2      THR  41  17.841   7.773  -0.320
  216   2HG2  THR  41          2HG2      THR  41  18.538   7.505   1.275
  217   3HG2  THR  41          3HG2      THR  41  16.925   8.176   1.131
  218    H    GLU  42           H        GLU  42  17.935   7.275   3.813
  219    HA   GLU  42           HA       GLU  42  20.439   5.859   3.761
  220   1HB   GLU  42          2HB       GLU  42  20.323   8.322   3.990
  221   2HB   GLU  42          1HB       GLU  42  19.587   8.134   5.564
  222   1HG   GLU  42          2HG       GLU  42  21.610   6.975   6.359
  223   2HG   GLU  42          1HG       GLU  42  22.351   7.234   4.781
  224    H    ASN  43           H        ASN  43  18.228   6.579   6.439
  225    HA   ASN  43           HA       ASN  43  18.809   3.913   7.366
  226   1HB   ASN  43          2HB       ASN  43  19.138   4.241   9.558
  227   2HB   ASN  43          1HB       ASN  43  20.487   4.974   8.685
  228   1HD2  ASN  43          1HD2      ASN  43  18.972   7.460   8.111
  229   2HD2  ASN  43          2HD2      ASN  43  18.845   8.337   9.584
  230    H    SER  44           H        SER  44  16.516   6.313   7.325
  231    HA   SER  44           HA       SER  44  14.954   4.910   9.362
  232   1HB   SER  44          2HB       SER  44  14.335   7.604   8.055
  233   2HB   SER  44          1HB       SER  44  13.532   6.872   9.439
  234    HG   SER  44           HG       SER  44  15.132   8.457   9.927
  235    H    THR  45           H        THR  45  15.456   3.684   7.190
  236    HA   THR  45           HA       THR  45  14.412   3.273   4.982
  237    HB   THR  45           HB       THR  45  14.797   0.893   5.459
  238    HG1  THR  45           HG1      THR  45  15.496   1.522   8.081
  239   1HG2  THR  45          1HG2      THR  45  16.565   2.611   5.116
  240   2HG2  THR  45          2HG2      THR  45  17.070   1.173   5.991
  241   3HG2  THR  45          3HG2      THR  45  16.819   2.712   6.868
  242    H    VAL  46           H        VAL  46  13.093   0.913   4.882
  243    HA   VAL  46           HA       VAL  46  10.498   2.195   4.706
  244    HB   VAL  46           HB       VAL  46  11.265  -0.451   3.653
  245   1HG1  VAL  46          1HG1      VAL  46   9.654   0.001   1.891
  246   2HG1  VAL  46          2HG1      VAL  46   9.296   1.561   2.643
  247   3HG1  VAL  46          3HG1      VAL  46   8.934   0.079   3.501
  248   1HG2  VAL  46          1HG2      VAL  46  13.063   0.945   2.946
  249   2HG2  VAL  46          2HG2      VAL  46  12.002   2.197   2.393
  250   3HG2  VAL  46          3HG2      VAL  46  12.051   0.635   1.529
  251    H    ALA  47           H        ALA  47   9.599   1.883   6.592
  252    HA   ALA  47           HA       ALA  47   9.454  -0.749   7.776
  253   1HB   ALA  47          1HB       ALA  47   8.202   1.859   8.650
  254   2HB   ALA  47          2HB       ALA  47   9.695   1.185   9.304
  255   3HB   ALA  47          3HB       ALA  47   8.155   0.362   9.571
  256    H    LEU  48           H        LEU  48   8.101  -2.101   6.912
  257    HA   LEU  48           HA       LEU  48   5.615  -1.062   5.806
  258   1HB   LEU  48          2HB       LEU  48   7.159  -2.046   4.171
  259   2HB   LEU  48          1HB       LEU  48   7.187  -3.519   5.119
  260    HG   LEU  48           HG       LEU  48   4.812  -3.845   4.671
  261   1HD1  LEU  48          1HD1      LEU  48   3.744  -2.455   2.876
  262   2HD1  LEU  48          2HD1      LEU  48   5.132  -1.363   2.989
  263   3HD1  LEU  48          3HD1      LEU  48   4.070  -1.577   4.370
  264   1HD2  LEU  48          1HD2      LEU  48   6.480  -3.399   2.234
  265   2HD2  LEU  48          2HD2      LEU  48   5.045  -4.427   2.339
  266   3HD2  LEU  48          3HD2      LEU  48   6.509  -4.843   3.254
  267    H    ALA  49           H        ALA  49   3.800  -1.774   6.743
  268    HA   ALA  49           HA       ALA  49   3.852  -4.169   8.334
  269   1HB   ALA  49          1HB       ALA  49   2.919  -1.486   9.282
  270   2HB   ALA  49          2HB       ALA  49   4.353  -2.325   9.890
  271   3HB   ALA  49          3HB       ALA  49   2.732  -3.004  10.168
  272    H    LYS  50           H        LYS  50   1.694  -4.957   8.614
  273    HA   LYS  50           HA       LYS  50  -0.224  -5.566   7.785
  274   1HB   LYS  50          2HB       LYS  50  -2.074  -3.848   7.849
  275   2HB   LYS  50          1HB       LYS  50  -1.096  -3.985   9.303
  276   1HG   LYS  50          2HG       LYS  50   0.205  -2.122   8.542
  277   2HG   LYS  50          1HG       LYS  50  -0.925  -1.831   7.220
  278   1HD   LYS  50          2HD       LYS  50  -2.752  -1.498   8.872
  279   2HD   LYS  50          1HD       LYS  50  -1.612  -1.788  10.185
  280   1HE   LYS  50          2HE       LYS  50  -0.299   0.187   9.363
  281   2HE   LYS  50          1HE       LYS  50  -1.572   0.489   8.198
  282   1HZ   LYS  50          1HZ       LYS  50  -3.141   0.786  10.070
  283   2HZ   LYS  50          2HZ       LYS  50  -1.855   1.868  10.199
  284   3HZ   LYS  50          3HZ       LYS  50  -1.895   0.516  11.154
  285    H    VAL  51           H        VAL  51   1.682  -5.151   5.812
  286    HA   VAL  51           HA       VAL  51   0.558  -3.862   3.507
  287    HB   VAL  51           HB       VAL  51   2.962  -4.223   3.717
  288   1HG1  VAL  51          1HG1      VAL  51   3.047  -6.271   4.997
  289   2HG1  VAL  51          2HG1      VAL  51   4.012  -6.417   3.528
  290   3HG1  VAL  51          3HG1      VAL  51   2.442  -7.187   3.620
  291   1HG2  VAL  51          1HG2      VAL  51   2.220  -4.090   1.436
  292   2HG2  VAL  51          2HG2      VAL  51   1.800  -5.804   1.422
  293   3HG2  VAL  51          3HG2      VAL  51   3.479  -5.320   1.510
  294    H    ARG  52           H        ARG  52  -1.355  -4.502   2.706
  295    HA   ARG  52           HA       ARG  52  -1.620  -6.867   1.365
  296   1HB   ARG  52          2HB       ARG  52  -2.556  -6.794   4.074
  297   2HB   ARG  52          1HB       ARG  52  -3.899  -6.838   2.958
  298   1HG   ARG  52          2HG       ARG  52  -1.593  -8.797   3.027
  299   2HG   ARG  52          1HG       ARG  52  -3.214  -9.122   3.648
  300   1HD   ARG  52          2HD       ARG  52  -4.127  -8.866   1.364
  301   2HD   ARG  52          1HD       ARG  52  -2.489  -8.537   0.771
  302    HE   ARG  52           HE       ARG  52  -2.323 -10.916   2.037
  303   1HH1  ARG  52          1HH1      ARG  52  -4.268  -9.719  -0.701
  304   2HH1  ARG  52          2HH1      ARG  52  -4.369 -11.237  -1.444
  305   1HH2  ARG  52          1HH2      ARG  52  -2.518 -12.995   1.015
  306   2HH2  ARG  52          2HH2      ARG  52  -3.389 -13.148  -0.436
  307    H    SER  53           H        SER  53  -4.202  -6.849   0.794
  308    HA   SER  53           HA       SER  53  -4.768  -4.419  -0.477
  309   1HB   SER  53          2HB       SER  53  -6.541  -6.768   0.148
  310   2HB   SER  53          1HB       SER  53  -6.740  -5.610  -1.164
  311    HG   SER  53           HG       SER  53  -4.919  -6.405  -2.153
  312    H    PHE  54           H        PHE  54  -7.411  -3.877  -0.052
  313    HA   PHE  54           HA       PHE  54  -7.210  -2.349   2.373
  314   1HB   PHE  54          2HB       PHE  54  -9.374  -2.377   0.282
  315   2HB   PHE  54          1HB       PHE  54  -9.279  -1.200   1.585
  316    HD1  PHE  54           HD1      PHE  54  -7.583   0.533   1.519
  317    HD2  PHE  54           HD2      PHE  54  -7.943  -2.261  -1.632
  318    HE1  PHE  54           HE1      PHE  54  -6.204   1.987   0.091
  319    HE2  PHE  54           HE2      PHE  54  -6.577  -0.828  -3.075
  320    HZ   PHE  54           HZ       PHE  54  -5.690   1.287  -2.223
  321    H    GLY  55           H        GLY  55 -10.399  -3.468   1.457
  322   1HA   GLY  55          2HA       GLY  55 -10.616  -4.933   4.006
  323   2HA   GLY  55          1HA       GLY  55 -11.657  -3.551   3.785
  324    H    THR  56           H        THR  56 -13.140  -3.574   1.873
  325    HA   THR  56           HA       THR  56 -14.882  -4.494   0.684
  326    HB   THR  56           HB       THR  56 -13.001  -6.856   0.789
  327    HG1  THR  56           HG1      THR  56 -13.231  -5.316  -1.524
  328   1HG2  THR  56          1HG2      THR  56 -15.282  -6.405  -1.108
  329   2HG2  THR  56          2HG2      THR  56 -15.205  -7.668   0.127
  330   3HG2  THR  56          3HG2      THR  56 -14.105  -7.701  -1.249
  331    H    GLU  57           H        GLU  57 -13.826  -7.202   2.618
  332    HA   GLU  57           HA       GLU  57 -14.643  -8.436   4.175
  333   1HB   GLU  57          2HB       GLU  57 -16.936  -6.494   4.418
  334   2HB   GLU  57          1HB       GLU  57 -16.774  -7.920   5.430
  335   1HG   GLU  57          2HG       GLU  57 -14.785  -5.645   5.270
  336   2HG   GLU  57          1HG       GLU  57 -15.947  -5.928   6.556
  337    H    ASP  58           H        ASP  58 -17.005  -7.615   1.812
  338    HA   ASP  58           HA       ASP  58 -17.094 -10.428   1.113
  339   1HB   ASP  58          2HB       ASP  58 -18.945 -10.378   2.654
  340   2HB   ASP  58          1HB       ASP  58 -19.649  -8.982   1.866
  341    H    ARG  59           H        ARG  59 -17.635  -7.092   0.209
  342    HA   ARG  59           HA       ARG  59 -17.953  -7.976  -2.557
  343   1HB   ARG  59          2HB       ARG  59 -19.782  -5.845  -1.361
  344   2HB   ARG  59          1HB       ARG  59 -19.744  -6.386  -3.023
  345   1HG   ARG  59          2HG       ARG  59 -20.514  -8.599  -2.392
  346   2HG   ARG  59          1HG       ARG  59 -20.497  -8.144  -0.686
  347   1HD   ARG  59          2HD       ARG  59 -22.755  -8.048  -1.508
  348   2HD   ARG  59          1HD       ARG  59 -22.182  -6.398  -1.229
  349    HE   ARG  59           HE       ARG  59 -21.825  -7.327  -3.916
  350   1HH1  ARG  59          1HH1      ARG  59 -24.105  -5.803  -1.675
  351   2HH1  ARG  59          2HH1      ARG  59 -25.084  -5.135  -2.875
  352   1HH2  ARG  59          1HH2      ARG  59 -23.211  -6.394  -5.614
  353   2HH2  ARG  59          2HH2      ARG  59 -24.564  -5.483  -5.193
  354    HA   PRO  60           HA       PRO  60 -14.898  -4.702  -2.980
  355   1HB   PRO  60          2HB       PRO  60 -15.549  -4.582  -5.844
  356   2HB   PRO  60          1HB       PRO  60 -14.062  -5.134  -5.058
  357   1HG   PRO  60          2HG       PRO  60 -15.759  -6.829  -6.315
  358   2HG   PRO  60          1HG       PRO  60 -14.787  -7.310  -4.913
  359   1HD   PRO  60          2HD       PRO  60 -17.679  -6.576  -5.057
  360   2HD   PRO  60          1HD       PRO  60 -16.861  -7.859  -4.142
  361    H    THR  61           H        THR  61 -16.789  -3.548  -1.888
  362    HA   THR  61           HA       THR  61 -17.896  -1.462  -3.626
  363    HB   THR  61           HB       THR  61 -19.425  -3.011  -2.414
  364    HG1  THR  61           HG1      THR  61 -20.719  -1.293  -1.477
  365   1HG2  THR  61          1HG2      THR  61 -18.289  -1.581  -0.094
  366   2HG2  THR  61          2HG2      THR  61 -17.955  -3.272  -0.449
  367   3HG2  THR  61          3HG2      THR  61 -19.596  -2.760   0.052
  368    H    ASP  62           H        ASP  62 -18.641  -0.025  -1.346
  369    HA   ASP  62           HA       ASP  62 -18.032   2.137  -0.738
  370   1HB   ASP  62          2HB       ASP  62 -18.264   0.727   1.324
  371   2HB   ASP  62          1HB       ASP  62 -16.507   0.567   1.346
  372    H    ARG  63           H        ARG  63 -17.001   2.514  -2.480
  373    HA   ARG  63           HA       ARG  63 -15.348   3.497  -3.770
  374   1HB   ARG  63          2HB       ARG  63 -13.764   3.619  -1.174
  375   2HB   ARG  63          1HB       ARG  63 -13.349   4.480  -2.658
  376   1HG   ARG  63          2HG       ARG  63 -15.891   4.825  -1.153
  377   2HG   ARG  63          1HG       ARG  63 -14.471   5.861  -0.896
  378   1HD   ARG  63          2HD       ARG  63 -15.941   5.454  -3.511
  379   2HD   ARG  63          1HD       ARG  63 -16.173   6.843  -2.431
  380    HE   ARG  63           HE       ARG  63 -13.452   6.395  -3.309
  381   1HH1  ARG  63          1HH1      ARG  63 -16.504   8.033  -3.996
  382   2HH1  ARG  63          2HH1      ARG  63 -15.845   9.297  -4.910
  383   1HH2  ARG  63          1HH2      ARG  63 -12.443   8.166  -4.663
  384   2HH2  ARG  63          2HH2      ARG  63 -13.437   9.345  -5.320
  385    HA   PRO  64           HA       PRO  64 -14.645  -0.898  -4.494
  386   1HB   PRO  64          2HB       PRO  64 -13.035   0.604  -6.529
  387   2HB   PRO  64          1HB       PRO  64 -13.822  -0.979  -6.729
  388   1HG   PRO  64          2HG       PRO  64 -15.211   1.176  -7.451
  389   2HG   PRO  64          1HG       PRO  64 -15.992  -0.087  -6.486
  390   1HD   PRO  64          2HD       PRO  64 -15.235   2.629  -5.683
  391   2HD   PRO  64          1HD       PRO  64 -16.441   1.538  -4.993
  392    H    ILE  65           H        ILE  65 -13.735  -1.376  -2.702
  393    HA   ILE  65           HA       ILE  65 -10.858  -1.267  -2.470
  394    HB   ILE  65           HB       ILE  65 -11.264  -2.043  -0.089
  395   1HG1  ILE  65          2HG1      ILE  65 -14.070  -1.278  -0.878
  396   2HG1  ILE  65          1HG1      ILE  65 -13.515  -2.816  -0.259
  397   1HG2  ILE  65          1HG2      ILE  65 -10.558   0.220  -0.630
  398   2HG2  ILE  65          2HG2      ILE  65 -11.755   0.255   0.676
  399   3HG2  ILE  65          3HG2      ILE  65 -12.234   0.687  -0.969
  400   1HD1  ILE  65          1HD1      ILE  65 -12.988  -1.734   1.871
  401   2HD1  ILE  65          2HD1      ILE  65 -14.686  -1.615   1.435
  402   3HD1  ILE  65          3HD1      ILE  65 -13.617  -0.219   1.234
  403    H    ALA  66           H        ALA  66  -9.771  -2.994  -1.562
  404    HA   ALA  66           HA       ALA  66 -10.580  -5.569  -2.779
  405   1HB   ALA  66          1HB       ALA  66  -8.579  -4.659  -3.859
  406   2HB   ALA  66          2HB       ALA  66  -8.115  -6.059  -2.885
  407   3HB   ALA  66          3HB       ALA  66  -7.810  -4.412  -2.301
  408    HA   PRO  67           HA       PRO  67 -10.482  -6.810   1.493
  409   1HB   PRO  67          2HB       PRO  67 -10.436  -9.486   1.328
  410   2HB   PRO  67          1HB       PRO  67 -11.853  -8.553   0.817
  411   1HG   PRO  67          2HG       PRO  67  -9.727  -9.850  -0.831
  412   2HG   PRO  67          1HG       PRO  67 -11.463  -9.694  -1.163
  413   1HD   PRO  67          2HD       PRO  67  -9.447  -8.101  -2.257
  414   2HD   PRO  67          1HD       PRO  67 -11.175  -7.680  -2.181
  415    H    ARG  68           H        ARG  68  -9.073  -6.778   3.016
  416    HA   ARG  68           HA       ARG  68  -6.294  -7.453   2.586
  417   1HB   ARG  68          2HB       ARG  68  -5.903  -6.861   4.902
  418   2HB   ARG  68          1HB       ARG  68  -6.949  -5.649   4.171
  419   1HG   ARG  68          2HG       ARG  68  -8.858  -6.529   5.316
  420   2HG   ARG  68          1HG       ARG  68  -7.934  -7.909   5.925
  421   1HD   ARG  68          2HD       ARG  68  -6.467  -6.291   7.128
  422   2HD   ARG  68          1HD       ARG  68  -7.552  -4.995   6.637
  423    HE   ARG  68           HE       ARG  68  -9.277  -6.596   7.798
  424   1HH1  ARG  68          1HH1      ARG  68  -6.006  -5.649   8.934
  425   2HH1  ARG  68          2HH1      ARG  68  -6.392  -5.877  10.582
  426   1HH2  ARG  68          1HH2      ARG  68  -9.748  -6.865  10.172
  427   2HH2  ARG  68          2HH2      ARG  68  -8.492  -6.560  11.256
  428    H    ASP  69           H        ASP  69  -5.081  -8.957   3.894
  429    HA   ASP  69           HA       ASP  69  -6.645 -11.292   4.769
  430   1HB   ASP  69          2HB       ASP  69  -5.552 -11.715   2.570
  431   2HB   ASP  69          1HB       ASP  69  -4.000 -11.306   3.271
  432    H    GLU  70           H        GLU  70  -4.643  -8.840   5.659
  433    HA   GLU  70           HA       GLU  70  -3.600  -8.201   7.494
  434   1HB   GLU  70          2HB       GLU  70  -5.496  -9.298   8.680
  435   2HB   GLU  70          1HB       GLU  70  -4.581 -10.787   8.731
  436   1HG   GLU  70          2HG       GLU  70  -2.988  -9.831  10.243
  437   2HG   GLU  70          1HG       GLU  70  -3.728  -8.225  10.073
  438    H    THR  71           H        THR  71  -1.705  -8.737   9.078
  439    HA   THR  71           HA       THR  71   0.151 -10.653   7.899
  440    HB   THR  71           HB       THR  71   1.944  -8.819   8.107
  441    HG1  THR  71           HG1      THR  71  -0.377  -7.456   8.650
  442   1HG2  THR  71          1HG2      THR  71  -0.242  -8.405   6.070
  443   2HG2  THR  71          2HG2      THR  71   1.123  -9.520   5.899
  444   3HG2  THR  71          3HG2      THR  71   1.395  -7.775   5.937
  445    H    PHE  72           H        PHE  72   2.141 -10.869   9.416
  446    HA   PHE  72           HA       PHE  72   1.200 -10.430  12.151
  447   1HB   PHE  72          2HB       PHE  72   0.990 -12.799  11.553
  448   2HB   PHE  72          1HB       PHE  72   2.703 -12.861  11.152
  449    HD1  PHE  72           HD1      PHE  72   4.323 -13.271  12.839
  450    HD2  PHE  72           HD2      PHE  72   0.294 -12.368  13.917
  451    HE1  PHE  72           HE1      PHE  72   4.806 -13.874  15.159
  452    HE2  PHE  72           HE2      PHE  72   0.771 -12.972  16.238
  453    HZ   PHE  72           HZ       PHE  72   3.045 -13.730  16.875
  454    H    GLU  73           H        GLU  73   4.300 -11.490  10.675
  455    HA   GLU  73           HA       GLU  73   5.723 -10.150  12.780
  456   1HB   GLU  73          2HB       GLU  73   7.764 -11.071  11.709
  457   2HB   GLU  73          1HB       GLU  73   6.556 -12.283  12.070
  458   1HG   GLU  73          2HG       GLU  73   5.862 -12.220   9.670
  459   2HG   GLU  73          1HG       GLU  73   7.175 -11.088   9.374
  460    H    TYR  74           H        TYR  74   4.834  -9.355   9.593
  461    HA   TYR  74           HA       TYR  74   5.067  -7.566   8.241
  462   1HB   TYR  74          2HB       TYR  74   6.408  -5.949  10.450
  463   2HB   TYR  74          1HB       TYR  74   5.434  -5.426   9.079
  464    HD1  TYR  74           HD1      TYR  74   5.337  -6.016  12.547
  465    HD2  TYR  74           HD2      TYR  74   2.934  -6.277   9.045
  466    HE1  TYR  74           HE1      TYR  74   3.314  -5.959  13.930
  467    HE2  TYR  74           HE2      TYR  74   0.903  -6.212  10.417
  468    HH   TYR  74           HH       TYR  74   0.917  -5.282  13.643
  469    H    ILE  75           H        ILE  75   6.933  -5.864   7.391
  470    HA   ILE  75           HA       ILE  75   9.484  -7.202   7.594
  471    HB   ILE  75           HB       ILE  75   9.774  -7.182   5.081
  472   1HG1  ILE  75          2HG1      ILE  75   6.752  -6.893   5.104
  473   2HG1  ILE  75          1HG1      ILE  75   7.913  -5.735   4.465
  474   1HG2  ILE  75          1HG2      ILE  75   7.762  -9.102   6.197
  475   2HG2  ILE  75          2HG2      ILE  75   9.505  -9.247   6.283
  476   3HG2  ILE  75          3HG2      ILE  75   8.681  -9.323   4.706
  477   1HD1  ILE  75          1HD1      ILE  75   8.564  -7.351   2.747
  478   2HD1  ILE  75          2HD1      ILE  75   6.829  -7.008   2.681
  479   3HD1  ILE  75          3HD1      ILE  75   7.410  -8.502   3.400
  480    H    ILE  76           H        ILE  76  11.287  -5.979   7.029
  481    HA   ILE  76           HA       ILE  76  10.792  -3.083   6.640
  482    HB   ILE  76           HB       ILE  76  13.149  -4.422   8.046
  483   1HG1  ILE  76          2HG1      ILE  76  11.150  -4.692   9.424
  484   2HG1  ILE  76          1HG1      ILE  76  12.260  -3.538  10.149
  485   1HG2  ILE  76          1HG2      ILE  76  12.453  -1.490   7.848
  486   2HG2  ILE  76          2HG2      ILE  76  13.795  -2.293   7.051
  487   3HG2  ILE  76          3HG2      ILE  76  13.766  -2.159   8.809
  488   1HD1  ILE  76          1HD1      ILE  76   9.749  -2.864   8.621
  489   2HD1  ILE  76          2HD1      ILE  76  10.858  -1.705   9.350
  490   3HD1  ILE  76          3HD1      ILE  76   9.947  -2.803  10.377
  491    H    PHE  77           H        PHE  77  12.309  -2.007   5.226
  492    HA   PHE  77           HA       PHE  77  13.935  -3.850   3.653
  493   1HB   PHE  77          2HB       PHE  77  12.334  -1.523   2.539
  494   2HB   PHE  77          1HB       PHE  77  13.526  -2.447   1.652
  495    HD1  PHE  77           HD1      PHE  77  13.080  -4.683   0.889
  496    HD2  PHE  77           HD2      PHE  77  10.160  -2.502   3.087
  497    HE1  PHE  77           HE1      PHE  77  11.365  -6.292   0.204
  498    HE2  PHE  77           HE2      PHE  77   8.445  -4.099   2.408
  499    HZ   PHE  77           HZ       PHE  77   9.029  -5.998   0.968
  500    H    ARG  78           H        ARG  78  15.900  -3.214   3.125
  501    HA   ARG  78           HA       ARG  78  17.532  -1.748   4.666
  502   1HB   ARG  78          2HB       ARG  78  17.619  -2.358   1.791
  503   2HB   ARG  78          1HB       ARG  78  19.009  -1.685   2.657
  504   1HG   ARG  78          2HG       ARG  78  17.633  -4.287   3.342
  505   2HG   ARG  78          1HG       ARG  78  19.062  -4.170   2.316
  506   1HD   ARG  78          2HD       ARG  78  18.828  -3.214   5.136
  507   2HD   ARG  78          1HD       ARG  78  19.613  -4.723   4.652
  508    HE   ARG  78           HE       ARG  78  20.719  -2.480   3.258
  509   1HH1  ARG  78          1HH1      ARG  78  20.889  -4.240   6.321
  510   2HH1  ARG  78          2HH1      ARG  78  22.424  -3.663   6.744
  511   1HH2  ARG  78          1HH2      ARG  78  22.802  -1.656   3.824
  512   2HH2  ARG  78          2HH2      ARG  78  23.552  -2.100   5.277
  513    H    GLY  79           H        GLY  79  15.528  -0.292   2.199
  514   1HA   GLY  79          2HA       GLY  79  15.217   1.975   1.672
  515   2HA   GLY  79          1HA       GLY  79  16.270   2.369   3.015
  516    H    SER  80           H        SER  80  18.626   1.745   2.531
  517    HA   SER  80           HA       SER  80  19.498   3.273   0.290
  518   1HB   SER  80          2HB       SER  80  20.672   3.322   2.399
  519   2HB   SER  80          1HB       SER  80  20.986   1.590   2.343
  520    HG   SER  80           HG       SER  80  21.994   2.383   0.154
  521    H    ASP  81           H        ASP  81  18.477   0.144   0.576
  522    HA   ASP  81           HA       ASP  81  20.019  -0.732  -1.791
  523   1HB   ASP  81          2HB       ASP  81  18.884  -2.370   0.462
  524   2HB   ASP  81          1HB       ASP  81  19.575  -3.080  -0.991
  525    H    ILE  82           H        ILE  82  17.372   0.746  -1.665
  526    HA   ILE  82           HA       ILE  82  15.464  -1.258  -2.487
  527    HB   ILE  82           HB       ILE  82  13.951   0.675  -3.135
  528   1HG1  ILE  82          2HG1      ILE  82  14.501   2.935  -2.156
  529   2HG1  ILE  82          1HG1      ILE  82  16.121   2.359  -1.829
  530   1HG2  ILE  82          1HG2      ILE  82  14.883   0.525  -0.289
  531   2HG2  ILE  82          2HG2      ILE  82  13.636  -0.442  -1.073
  532   3HG2  ILE  82          3HG2      ILE  82  13.384   1.278  -0.837
  533   1HD1  ILE  82          1HD1      ILE  82  16.060   3.777  -3.796
  534   2HD1  ILE  82          2HD1      ILE  82  14.866   2.719  -4.548
  535   3HD1  ILE  82          3HD1      ILE  82  16.497   2.129  -4.231
  536    H    LYS  83           H        LYS  83  14.263  -1.147  -4.553
  537    HA   LYS  83           HA       LYS  83  16.157  -0.791  -6.813
  538   1HB   LYS  83          2HB       LYS  83  15.195  -3.037  -6.406
  539   2HB   LYS  83          1HB       LYS  83  13.603  -2.356  -6.664
  540   1HG   LYS  83          2HG       LYS  83  14.229  -3.360  -8.613
  541   2HG   LYS  83          1HG       LYS  83  14.392  -1.637  -8.944
  542   1HD   LYS  83          2HD       LYS  83  16.286  -2.756  -9.934
  543   2HD   LYS  83          1HD       LYS  83  16.856  -1.905  -8.503
  544   1HE   LYS  83          2HE       LYS  83  16.948  -3.877  -7.215
  545   2HE   LYS  83          1HE       LYS  83  16.053  -4.811  -8.412
  546   1HZ   LYS  83          1HZ       LYS  83  17.961  -4.551  -9.898
  547   2HZ   LYS  83          2HZ       LYS  83  18.316  -5.381  -8.496
  548   3HZ   LYS  83          3HZ       LYS  83  18.819  -3.765  -8.676
  549    H    ASP  84           H        ASP  84  12.657  -0.551  -6.147
  550    HA   ASP  84           HA       ASP  84  12.477   1.967  -7.533
  551   1HB   ASP  84          2HB       ASP  84  12.390   0.426  -9.405
  552   2HB   ASP  84          1HB       ASP  84  11.160  -0.537  -8.589
  553    H    LEU  85           H        LEU  85  10.490   3.023  -7.133
  554    HA   LEU  85           HA       LEU  85   8.313   1.799  -5.858
  555   1HB   LEU  85          2HB       LEU  85   8.272   3.340  -3.857
  556   2HB   LEU  85          1HB       LEU  85   9.351   1.983  -3.757
  557    HG   LEU  85           HG       LEU  85  10.260   3.951  -2.662
  558   1HD1  LEU  85          1HD1      LEU  85  11.846   2.470  -3.563
  559   2HD1  LEU  85          2HD1      LEU  85  12.463   4.126  -3.756
  560   3HD1  LEU  85          3HD1      LEU  85  11.766   3.256  -5.132
  561   1HD2  LEU  85          1HD2      LEU  85   9.190   5.740  -3.890
  562   2HD2  LEU  85          2HD2      LEU  85  10.114   5.355  -5.336
  563   3HD2  LEU  85          3HD2      LEU  85  10.935   5.967  -3.889
  564    H    THR  86           H        THR  86   6.533   2.667  -6.221
  565    HA   THR  86           HA       THR  86   6.625   5.334  -7.387
  566    HB   THR  86           HB       THR  86   6.345   3.679  -9.211
  567    HG1  THR  86           HG1      THR  86   4.721   4.644 -10.187
  568   1HG2  THR  86          1HG2      THR  86   4.327   2.271  -9.363
  569   2HG2  THR  86          2HG2      THR  86   3.817   2.852  -7.788
  570   3HG2  THR  86          3HG2      THR  86   5.287   1.883  -7.932
  571    H    VAL  87           H        VAL  87   4.939   6.673  -6.854
  572    HA   VAL  87           HA       VAL  87   3.273   5.690  -4.637
  573    HB   VAL  87           HB       VAL  87   4.242   8.512  -5.091
  574   1HG1  VAL  87          1HG1      VAL  87   3.398   8.966  -2.816
  575   2HG1  VAL  87          2HG1      VAL  87   2.764   7.315  -2.758
  576   3HG1  VAL  87          3HG1      VAL  87   2.120   8.455  -3.928
  577   1HG2  VAL  87          1HG2      VAL  87   6.130   7.104  -4.457
  578   2HG2  VAL  87          2HG2      VAL  87   5.245   6.482  -3.076
  579   3HG2  VAL  87          3HG2      VAL  87   5.698   8.191  -3.140
  580    H    CYS  88           H        CYS  88   1.358   5.258  -5.585
  581    HA   CYS  88           HA       CYS  88  -0.266   7.419  -6.330
  582   1HB   CYS  88          2HB       CYS  88  -0.742   6.703  -8.655
  583   2HB   CYS  88          1HB       CYS  88   0.896   7.315  -8.421
  584    HG   CYS  88           HG       CYS  88   1.121   4.159  -7.957
  585    H    GLU  89           H        GLU  89  -2.166   6.877  -5.463
  586    HA   GLU  89           HA       GLU  89  -2.901   4.105  -5.482
  587   1HB   GLU  89          2HB       GLU  89  -4.836   4.873  -4.035
  588   2HB   GLU  89          1HB       GLU  89  -3.254   5.144  -3.337
  589   1HG   GLU  89          2HG       GLU  89  -3.382   7.510  -3.885
  590   2HG   GLU  89          1HG       GLU  89  -4.917   7.254  -4.720
  591    HA   PRO  90           HA       PRO  90  -5.005   5.046  -9.317
  592   1HB   PRO  90          2HB       PRO  90  -6.248   2.386  -9.000
  593   2HB   PRO  90          1HB       PRO  90  -5.215   2.987 -10.292
  594   1HG   PRO  90          2HG       PRO  90  -4.303   1.204  -8.501
  595   2HG   PRO  90          1HG       PRO  90  -3.265   2.470  -9.163
  596   1HD   PRO  90          2HD       PRO  90  -4.651   2.350  -6.509
  597   2HD   PRO  90          1HD       PRO  90  -2.991   2.877  -6.922
  598    HA   PRO  91           HA       PRO  91  -9.017   5.869  -7.414
  599   1HB   PRO  91          2HB       PRO  91  -9.428   8.253  -8.616
  600   2HB   PRO  91          1HB       PRO  91  -8.517   8.087  -7.120
  601   1HG   PRO  91          2HG       PRO  91  -7.531   8.771  -9.794
  602   2HG   PRO  91          1HG       PRO  91  -6.696   8.869  -8.248
  603   1HD   PRO  91          2HD       PRO  91  -6.439   6.797 -10.300
  604   2HD   PRO  91          1HD       PRO  91  -5.538   7.025  -8.772
  605    H    LYS  92           H        LYS  92 -10.025   4.275  -8.544
  606    HA   LYS  92           HA       LYS  92 -11.406   3.250 -10.028
  607   1HB   LYS  92          2HB       LYS  92 -12.166   6.044 -10.878
  608   2HB   LYS  92          1HB       LYS  92 -13.046   4.569 -11.243
  609   1HG   LYS  92          2HG       LYS  92 -13.382   4.273  -8.776
  610   2HG   LYS  92          1HG       LYS  92 -12.706   5.896  -8.577
  611   1HD   LYS  92          2HD       LYS  92 -14.418   6.828 -10.024
  612   2HD   LYS  92          1HD       LYS  92 -15.075   5.214 -10.296
  613   1HE   LYS  92          2HE       LYS  92 -15.507   5.083  -7.818
  614   2HE   LYS  92          1HE       LYS  92 -15.044   6.788  -7.738
  615   1HZ   LYS  92          1HZ       LYS  92 -17.221   5.642  -9.340
  616   2HZ   LYS  92          2HZ       LYS  92 -16.838   7.260  -9.352
  617   3HZ   LYS  92          3HZ       LYS  92 -17.453   6.537  -7.937
  618    HA   PRO  93           HA       PRO  93  -8.578   3.368 -13.637
  619   1HB   PRO  93          2HB       PRO  93  -9.045   0.458 -13.512
  620   2HB   PRO  93          1HB       PRO  93  -7.514   1.369 -13.522
  621   1HG   PRO  93          2HG       PRO  93  -8.349   0.116 -11.291
  622   2HG   PRO  93          1HG       PRO  93  -7.531   1.687 -11.259
  623   1HD   PRO  93          2HD       PRO  93 -10.462   1.097 -11.039
  624   2HD   PRO  93          1HD       PRO  93  -9.464   2.186 -10.059
  625    H    ILE  94           H        ILE  94 -11.281   1.071 -13.264
  626    HA   ILE  94           HA       ILE  94 -12.479   2.033 -15.757
  627    HB   ILE  94           HB       ILE  94 -13.007  -0.336 -16.409
  628   1HG1  ILE  94          2HG1      ILE  94 -10.815  -1.037 -14.443
  629   2HG1  ILE  94          1HG1      ILE  94 -12.522  -1.411 -14.238
  630   1HG2  ILE  94          1HG2      ILE  94 -10.074   0.425 -16.505
  631   2HG2  ILE  94          2HG2      ILE  94 -11.336   0.910 -17.633
  632   3HG2  ILE  94          3HG2      ILE  94 -10.867  -0.783 -17.523
  633   1HD1  ILE  94          1HD1      ILE  94 -12.385  -2.900 -16.211
  634   2HD1  ILE  94          2HD1      ILE  94 -11.247  -3.357 -14.950
  635   3HD1  ILE  94          3HD1      ILE  94 -10.681  -2.494 -16.375
  636    H    MET  95           H        MET  95 -13.007   2.054 -12.774
  637    HA   MET  95           HA       MET  95 -15.650   0.769 -12.818
  638   1HB   MET  95          2HB       MET  95 -13.713   0.919 -10.497
  639   2HB   MET  95          1HB       MET  95 -15.377   0.374 -10.377
  640   1HG   MET  95          2HG       MET  95 -14.875  -1.515 -11.800
  641   2HG   MET  95          1HG       MET  95 -13.230  -0.945 -12.051
  642   1HE   MET  95          1HE       MET  95 -12.283  -3.308 -11.303
  643   2HE   MET  95          2HE       MET  95 -13.929  -3.914 -11.049
  644   3HE   MET  95          3HE       MET  95 -12.709  -4.109  -9.787