*HEADER    TRANSPORT PROTEIN                       29-SEP-09   2KOS              
*TITLE     NMR SOLUTION STRUCTURES OF OCTANOYL-ACP FROM STREPTOMYCES COELICOLOR  
*TITLE    2 FATTY ACID SYNTHASE                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACYL CARRIER PROTEIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR;                        
*SOURCE   3 ORGANISM_TAXID: 1902;                                                
*SOURCE   4 GENE: ACPP, SCO2389, SC4A7.17;                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: SC-APOFAS-PET21                           
*KEYWDS    ACYL CARRIER PROTEIN, INTERMEDIATE BINDING, FATTY ACID SYNTHASE,      
*KEYWDS   2 TRANSPORT PROTEIN                                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    E.PLOSKON, C.ARTHUR, M.P.CRUMP                                        
*REVDAT   1   18-AUG-10 2KOS    0                                                


 ASSI {    1}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      2.800     1.000     1.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.29724E-02 ppm1      4.098 ppm2      0.604 CV     1
 OR {    1}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {    1}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
 ASSI {    3}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.700     1.700     1.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.17531E-02 ppm1      4.094 ppm2      0.930 CV     1
 OR {    3}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
 OR {    3}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 40   and name H7A ))
 ASSI {   16}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 32   and name HZ  ))
      3.100     1.200     1.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.18535E-02 ppm1      1.602 ppm2      6.863 CV     1
 OR {   16}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 75   and name HD% )
 ASSI {   22}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.700     0.900     0.900 peak    22 spectrum    1 weight  0.10000E+01 volume  0.40671E-02 ppm1      4.319 ppm2      2.640 CV     1
 OR {   22}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {   31}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.500     1.500 peak    31 spectrum    1 weight  0.10000E+01 volume  0.30553E-03 ppm1      0.819 ppm2      8.357 CV     1
 OR {   31}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 42   and name HN  ))
 OR {   31}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 29   and name HN  ))
 ASSI {   34}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      2.600     0.800     0.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.37053E-02 ppm1      4.309 ppm2      0.994 CV     1
 OR {   34}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 41   and name HD2%)
 ASSI {   35}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 11   and name HD1%)
      2.700     0.900     0.900 peak    35 spectrum    1 weight  0.10000E+01 volume  0.34080E-02 ppm1      1.600 ppm2      0.850 CV     1
 OR {   35}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 11   and name HD2%)
 OR {   35}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 58   and name HG12))
 ASSI {   40}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      2.800     1.000     1.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.41306E-02 ppm1      4.045 ppm2      0.921 CV     1
 OR {   40}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
 OR {   40}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {   42}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
      3.600     1.600     1.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.18688E-02 ppm1      4.046 ppm2      2.324 CV     1
 OR {   42}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
 OR {   42}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {   42}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
 OR {   42}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI {   54}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 26   and name HB  ))
      2.800     1.000     1.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.37703E-02 ppm1      1.676 ppm2      2.324 CV     1
 OR {   54}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HG2 ))
 OR {   54}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {   56}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 23   and name HB  ))
      3.700     1.700     1.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.14013E-02 ppm1      1.666 ppm2      2.014 CV     1
 OR {   56}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HG  ))
 OR {   56}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 8    and name HB  ))
 OR {   56}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 14   and name HG11))
 OR {   56}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {   57}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 26   and name HG2%)
      2.500     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.46256E-02 ppm1      1.674 ppm2      0.952 CV     1
 OR {   57}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 23   and name HG1%)
 OR {   57}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 15   and name HG1%)
 ASSI {   58}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 26   and name HG1%)
      3.100     1.200     1.200 peak    58 spectrum    1 weight  0.10000E+01 volume  0.24738E-02 ppm1      1.680 ppm2      0.732 CV     1
 OR {   58}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 36   and name HD2%)
 ASSI {   63}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HE22))
      3.700     1.700     1.700 peak    63 spectrum    1 weight  0.10000E+01 volume  0.99373E-03 ppm1      1.560 ppm2      7.689 CV     1
 OR {   63}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HN  ))
 ASSI {   68}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 7    and name HD1%)
      2.600     0.800     0.800 peak    68 spectrum    1 weight  0.10000E+01 volume  0.30599E-02 ppm1      1.563 ppm2      0.526 CV     1
 OR {   68}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 76   and name HG2%)
 OR {   68}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   78}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HG2 ))
      3.400     1.400     1.400 peak    78 spectrum    1 weight  0.10000E+01 volume  0.15690E-02 ppm1      1.511 ppm2      2.563 CV     1
 OR {   78}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 55   and name HB2 ))
 ASSI {  108}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.500     1.500     1.500 peak   108 spectrum    1 weight  0.10000E+01 volume  0.11494E-02 ppm1      3.690 ppm2      8.403 CV     1
 OR {  108}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  110}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      3.000     1.200     1.200 peak   110 spectrum    1 weight  0.10000E+01 volume  0.21814E-02 ppm1      3.696 ppm2      0.811 CV     1
 OR {  110}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  110}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
 OR {  110}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {  117}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 73   and name HG2%)
      3.400     1.400     1.400 peak   117 spectrum    1 weight  0.10000E+01 volume  0.10106E-02 ppm1      2.211 ppm2      1.076 CV     1
 OR {  117}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 73   and name HG2%)
 OR {  117}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 8    and name HG2%)
 OR {  117}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  118}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 73   and name HG2%)
      3.600     1.600     1.600 peak   118 spectrum    1 weight  0.10000E+01 volume  0.91470E-03 ppm1      2.159 ppm2      1.083 CV     1
 OR {  118}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  124}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.400     0.700     0.700 peak   124 spectrum    1 weight  0.10000E+01 volume  0.66009E-02 ppm1      3.930 ppm2      2.299 CV     1
 OR {  124}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
 OR {  124}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
 ASSI {  126}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.400     0.700     0.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.53180E-02 ppm1      3.923 ppm2      1.985 CV     1
 OR {  126}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
 ASSI {  141}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HE% )
      2.700     0.900     0.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.15956E-02 ppm1      2.111 ppm2      1.550 CV     1
 OR {  141}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {  149}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      4.500     2.500     1.500 peak   149 spectrum    1 weight  0.10000E+01 volume  0.62997E-03 ppm1      0.555 ppm2      8.520 CV     1
 OR {  149}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
 OR {  149}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
 ASSI {  152}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      4.200     2.200     1.800 peak   152 spectrum    1 weight  0.10000E+01 volume  0.48786E-03 ppm1      0.552 ppm2      4.173 CV     1
 OR {  152}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  154}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      2.600     0.800     0.800 peak   154 spectrum    1 weight  0.10000E+01 volume  0.36715E-02 ppm1      0.551 ppm2      3.675 CV     1
 OR {  154}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  156}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HB1 ))
      5.000     3.100     1.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.32864E-03 ppm1      0.544 ppm2      2.139 CV     1
 OR {  156}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HG2 ))
 OR {  156}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  157}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HG  ))
      3.300     1.300     1.300 peak   157 spectrum    1 weight  0.10000E+01 volume  0.13465E-02 ppm1      0.553 ppm2      1.984 CV     1
 OR {  157}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 76   and name HG11))
 OR {  157}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HB  ))
 ASSI {  162}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 11   and name HD1%)
      3.200     1.300     1.300 peak   162 spectrum    1 weight  0.10000E+01 volume  0.14250E-02 ppm1      0.549 ppm2      0.853 CV     1
 OR {  162}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 11   and name HD2%)
 OR {  162}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 8    and name HG1%)
 OR {  162}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  173}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.13378E-02 ppm1      1.782 ppm2      3.683 CV     1
 OR {  173}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  177}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      3.300     1.300     1.300 peak   177 spectrum    1 weight  0.10000E+01 volume  0.12004E-02 ppm1      1.782 ppm2      1.084 CV     1
 OR {  177}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  181}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      3.800     1.800     1.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.20459E-02 ppm1      0.524 ppm2      3.692 CV     1
 OR {  181}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  186}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 3    and name HN  ))
      3.600     1.600     1.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.16062E-02 ppm1      0.526 ppm2      8.517 CV     1
 OR {  186}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
 OR {  186}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  204}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 9    and name HN  ))
      3.200     1.300     1.300 peak   204 spectrum    1 weight  0.10000E+01 volume  0.19371E-02 ppm1      0.888 ppm2      7.728 CV     1
 OR {  204}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  209}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      3.300     1.400     1.400 peak   209 spectrum    1 weight  0.10000E+01 volume  0.17393E-02 ppm1      1.033 ppm2      3.683 CV     1
 OR {  209}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  210}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.400     1.400     1.400 peak   210 spectrum    1 weight  0.10000E+01 volume  0.14898E-02 ppm1      1.036 ppm2      3.921 CV     1
 OR {  210}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  219}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      4.100     2.100     1.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.79570E-03 ppm1      1.034 ppm2      4.169 CV     1
 OR {  219}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  230}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 30   and name HB2 ))
      3.700     1.700     1.700 peak   230 spectrum    1 weight  0.10000E+01 volume  0.12357E-02 ppm1      1.035 ppm2      1.366 CV     1
 OR {  230}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 27   and name HG2 ))
 OR {  230}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  230}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 3    and name HG2%)
 OR {  230}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 27   and name HG1 ))
 ASSI {  236}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak   236 spectrum    1 weight  0.10000E+01 volume  0.10788E-02 ppm1      4.217 ppm2      8.394 CV     1
 OR {  236}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  260}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      3.500     1.600     1.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.13066E-02 ppm1      0.844 ppm2      3.665 CV     1
 OR {  260}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  267}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.700     0.900     0.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.21276E-02 ppm1      4.245 ppm2      0.735 CV     1
 OR {  267}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  282}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 76   and name HD1%)
      2.300     0.600     0.600 peak   282 spectrum    1 weight  0.10000E+01 volume  0.63630E-02 ppm1      0.881 ppm2      0.605 CV     1
 OR {  282}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 40   and name H8% )
 OR {  282}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 58   and name HD1%)
 ASSI {  285}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.400     1.400     1.400 peak   285 spectrum    1 weight  0.10000E+01 volume  0.15946E-02 ppm1      3.935 ppm2      8.692 CV     1
 OR {  285}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  286}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      3.100     1.200     1.200 peak   286 spectrum    1 weight  0.10000E+01 volume  0.19565E-02 ppm1      3.929 ppm2      8.506 CV     1
 OR {  286}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 OR {  286}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  287}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak   287 spectrum    1 weight  0.10000E+01 volume  0.25731E-02 ppm1      3.932 ppm2      2.739 CV     1
 OR {  287}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  321}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
      4.400     2.400     1.600 peak   321 spectrum    1 weight  0.10000E+01 volume  0.11519E-02 ppm1      1.047 ppm2      4.249 CV     1
 OR {  321}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  322}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.23096E-02 ppm1      0.729 ppm2      4.247 CV     1
 OR {  322}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  327}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 53   and name HD2 ))
      3.700     1.700     1.700 peak   327 spectrum    1 weight  0.10000E+01 volume  0.67579E-03 ppm1      0.732 ppm2      2.699 CV     1
 OR {  327}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  330}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 50   and name HB% )
      2.900     1.000     1.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.46064E-02 ppm1      0.729 ppm2      1.508 CV     1
 OR {  330}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 OR {  330}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 OR {  330}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 19   and name HB% )
 ASSI {  341}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 32   and name HZ  ))
      4.000     2.000     2.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.86083E-03 ppm1      1.168 ppm2      6.858 CV     1
 OR {  341}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HD21))
 ASSI {  343}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      3.800     1.800     1.800 peak   343 spectrum    1 weight  0.10000E+01 volume  0.85853E-03 ppm1      1.163 ppm2      3.925 CV     1
 OR {  343}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  343}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 42   and name HB1 ))
 OR {  343}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
 OR {  343}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
 OR {  343}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 20   and name HA2 ))
 ASSI {  349}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.57757E-02 ppm1      1.165 ppm2      2.241 CV     1
 OR {  349}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 46   and name HB  ))
 ASSI {  350}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB  ))
      3.100     1.200     1.200 peak   350 spectrum    1 weight  0.10000E+01 volume  0.14531E-02 ppm1      1.165 ppm2      2.100 CV     1
 OR {  350}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  351}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      3.500     1.600     1.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.21282E-02 ppm1      1.164 ppm2      1.596 CV     1
 OR {  351}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HG11))
 OR {  351}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
 ASSI {  352}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 19   and name HB% )
      3.600     1.600     1.600 peak   352 spectrum    1 weight  0.10000E+01 volume  0.21863E-02 ppm1      1.164 ppm2      1.503 CV     1
 OR {  352}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 50   and name HB% )
 OR {  352}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 36   and name HG  ))
 OR {  352}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 43   and name HE% )
 OR {  352}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  353}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 46   and name HG1%)
      2.500     0.800     0.800 peak   353 spectrum    1 weight  0.10000E+01 volume  0.36302E-02 ppm1      1.166 ppm2      0.696 CV     1
 OR {  353}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  356}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
      3.900     1.900     1.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.10949E-02 ppm1      3.594 ppm2      1.545 CV     1
 OR {  356}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  359}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HA  ))
      3.800     1.800     1.800 peak   359 spectrum    1 weight  0.10000E+01 volume  0.10531E-02 ppm1      3.597 ppm2      4.304 CV     1
 OR {  359}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  359}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  360}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      3.700     1.800     1.800 peak   360 spectrum    1 weight  0.10000E+01 volume  0.16069E-02 ppm1      3.596 ppm2      3.918 CV     1
 OR {  360}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  389}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      3.600     1.600     1.600 peak   389 spectrum    1 weight  0.10000E+01 volume  0.12060E-02 ppm1      3.424 ppm2      3.929 CV     1
 OR {  389}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
 OR {  389}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  390}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.24167E-02 ppm1      2.274 ppm2      3.949 CV     1
 OR {  390}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  392}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.41820E-02 ppm1      0.976 ppm2      3.945 CV     1
 OR {  392}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 43   and name HA  ))
 OR {  392}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 42   and name HB1 ))
 OR {  392}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 20   and name HA2 ))
 OR {  392}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
 OR {  392}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 38   and name HA  ))
 OR {  392}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  397}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 43   and name HA  ))
      3.200     1.300     1.300 peak   397 spectrum    1 weight  0.10000E+01 volume  0.12367E-02 ppm1      0.667 ppm2      3.945 CV     1
 OR {  397}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  399}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 50   and name HB% )
      2.900     1.000     1.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.33097E-02 ppm1      0.672 ppm2      1.518 CV     1
 OR {  399}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 49   and name HB% )
 OR {  399}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 43   and name HE% )
 ASSI {  412}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.300     1.400     1.400 peak   412 spectrum    1 weight  0.10000E+01 volume  0.86485E-03 ppm1      3.293 ppm2      8.812 CV     1
 OR {  412}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  414}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 51   and name HG1 ))
      3.000     3.000     3.000 peak   414 spectrum    1 weight  0.10000E+01 volume  0.18422E-02 ppm1      0.855 ppm2      2.826 CV     1
 OR {  414}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H43A))
 OR {  414}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 40   and name H43A))
 ASSI {  416}
   (  segid "    " and resid 63   and name HG1%)
   (  segid "    " and resid 43   and name HE% )
      2.800     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.30165E-02 ppm1      0.859 ppm2      1.543 CV     1
 OR {  416}
   (  segid "    " and resid 47   and name HG1%)
   (  segid "    " and resid 43   and name HE% )
 ASSI {  417}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HD2 ))
      3.500     1.500     1.500 peak   417 spectrum    1 weight  0.10000E+01 volume  0.24596E-02 ppm1      0.858 ppm2      1.676 CV     1
 OR {  417}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HD1 ))
 OR {  417}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
 OR {  417}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
 ASSI {  418}
   (  segid "    " and resid 63   and name HG1%)
   (  segid "    " and resid 58   and name HG2%)
      3.600     1.600     1.600 peak   418 spectrum    1 weight  0.10000E+01 volume  0.15290E-02 ppm1      0.854 ppm2      0.344 CV     1
 OR {  418}
   (  segid "    " and resid 47   and name HG1%)
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  428}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
      3.600     1.600     1.600 peak   428 spectrum    1 weight  0.10000E+01 volume  0.77418E-03 ppm1      3.921 ppm2      0.864 CV     1
 OR {  428}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 OR {  428}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI {  430}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.400     1.400 peak   430 spectrum    1 weight  0.10000E+01 volume  0.23554E-02 ppm1      1.104 ppm2      7.928 CV     1
 OR {  430}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  431}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H36A))
      3.100     1.200     1.200 peak   431 spectrum    1 weight  0.10000E+01 volume  0.23457E-02 ppm1      1.106 ppm2      8.043 CV     1
 OR {  431}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  433}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.800     1.800     1.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.17117E-02 ppm1      3.928 ppm2      2.460 CV     1
 OR {  433}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI {  448}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.600     1.600     1.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.18594E-02 ppm1      4.232 ppm2      2.118 CV     1
 OR {  448}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 OR {  448}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  448}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI {  449}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
      3.600     1.600     1.600 peak   449 spectrum    1 weight  0.10000E+01 volume  0.16348E-02 ppm1      4.226 ppm2      2.028 CV     1
 OR {  449}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
 OR {  449}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI {  464}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 14   and name HD1%)
      2.800     1.000     1.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.30048E-02 ppm1      1.481 ppm2      0.730 CV     1
 OR {  464}
   (  segid "    " and resid 9    and name HB% )
   (  segid "    " and resid 26   and name HG1%)
 OR {  464}
   (  segid "    " and resid 9    and name HB% )
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  465}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 40   and name H8% )
      2.400     0.700     0.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.59726E-02 ppm1      1.484 ppm2      0.611 CV     1
 OR {  465}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 58   and name HD1%)
 OR {  465}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 76   and name HD1%)
 OR {  465}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  466}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 11   and name HD2%)
      3.000     1.100     1.100 peak   466 spectrum    1 weight  0.10000E+01 volume  0.29074E-02 ppm1      1.483 ppm2      0.882 CV     1
 OR {  466}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 47   and name HG2%)
 OR {  466}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 40   and name H7B ))
 OR {  466}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 40   and name H7A ))
 OR {  466}
   (  segid "    " and resid 9    and name HB% )
   (  segid "    " and resid 8    and name HG1%)
 OR {  466}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 56   and name HG1%)
 OR {  466}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 47   and name HG1%)
 OR {  466}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
 OR {  466}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 11   and name HD1%)
 OR {  466}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 58   and name HG12))
 ASSI {  468}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.600     0.800     0.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.19434E-02 ppm1      3.940 ppm2      1.067 CV     1
 OR {  468}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  469}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.600     1.600     1.600 peak   469 spectrum    1 weight  0.10000E+01 volume  0.13145E-02 ppm1      3.943 ppm2      0.865 CV     1
 OR {  469}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  469}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 OR {  469}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 40   and name H7B ))
 OR {  469}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 40   and name H7A ))
 OR {  469}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {  479}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
      2.800     1.000     1.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.29061E-02 ppm1      4.175 ppm2      0.936 CV     1
 OR {  479}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
 OR {  479}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI {  511}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      4.600     2.700     1.400 peak   511 spectrum    1 weight  0.10000E+01 volume  0.29542E-03 ppm1      3.431 ppm2      7.829 CV     1
 OR {  511}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  514}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HD22))
      3.400     1.400     1.400 peak   514 spectrum    1 weight  0.10000E+01 volume  0.23426E-02 ppm1      2.722 ppm2      7.734 CV     1
 OR {  514}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI {  515}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD% )
      2.700     0.900     0.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.17762E-02 ppm1      2.732 ppm2      7.466 CV     1
 OR {  515}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  517}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 56   and name HG1%)
      3.700     1.700     1.700 peak   517 spectrum    1 weight  0.10000E+01 volume  0.65745E-03 ppm1      3.436 ppm2      0.926 CV     1
 OR {  517}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 56   and name HG2%)
 OR {  517}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 76   and name HG12))
 ASSI {  518}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      3.000     1.100     1.100 peak   518 spectrum    1 weight  0.10000E+01 volume  0.13030E-02 ppm1      3.422 ppm2      0.526 CV     1
 OR {  518}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 7    and name HD1%)
 OR {  518}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  520}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 56   and name HG1%)
      3.000     1.100     1.100 peak   520 spectrum    1 weight  0.10000E+01 volume  0.14710E-02 ppm1      2.739 ppm2      0.936 CV     1
 OR {  520}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 56   and name HG2%)
 OR {  520}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI {  529}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.900     1.900     1.900 peak   529 spectrum    1 weight  0.10000E+01 volume  0.59550E-03 ppm1      3.228 ppm2      2.444 CV     1
 OR {  529}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H2A ))
 OR {  529}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
 OR {  529}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {  530}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.100     2.100     1.900 peak   530 spectrum    1 weight  0.10000E+01 volume  0.84366E-03 ppm1      3.227 ppm2      2.199 CV     1
 OR {  530}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 47   and name HB  ))
 ASSI {  532}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HG  ))
      2.900     1.000     1.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.23160E-02 ppm1      3.226 ppm2      1.798 CV     1
 OR {  532}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  532}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI {  533}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
      2.500     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.45666E-02 ppm1      3.222 ppm2      0.872 CV     1
 OR {  533}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HG1%)
 OR {  533}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI {  534}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H5B ))
      3.400     1.500     1.500 peak   534 spectrum    1 weight  0.10000E+01 volume  0.98142E-03 ppm1      3.224 ppm2      0.606 CV     1
 OR {  534}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H6A ))
 OR {  534}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H5A ))
 OR {  534}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H6B ))
 OR {  534}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
 OR {  534}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI {  537}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 72   and name HB% )
      2.900     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.37513E-02 ppm1      0.892 ppm2      1.604 CV     1
 OR {  537}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 53   and name HB1 ))
 OR {  537}
   (  segid "    " and resid 63   and name HG2%)
   (  segid "    " and resid 72   and name HB% )
 OR {  537}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 2    and name HB% )
 ASSI {  538}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 62   and name HB1 ))
      3.000     1.200     1.200 peak   538 spectrum    1 weight  0.10000E+01 volume  0.22488E-02 ppm1      0.886 ppm2      2.454 CV     1
 OR {  538}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H2A ))
 OR {  538}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H2B ))
 ASSI {  539}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 10   and name HA1 ))
      3.900     1.900     1.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.15526E-02 ppm1      0.890 ppm2      4.069 CV     1
 OR {  539}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
 OR {  539}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  544}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
      3.500     1.500     1.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.17700E-02 ppm1      0.827 ppm2      4.196 CV     1
 OR {  544}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
 OR {  544}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  548}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
      3.900     1.900     1.900 peak   548 spectrum    1 weight  0.10000E+01 volume  0.60241E-03 ppm1      0.405 ppm2      3.094 CV     1
 OR {  548}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  551}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 66   and name HD2%)
      2.400     0.700     0.700 peak   551 spectrum    1 weight  0.10000E+01 volume  0.56421E-02 ppm1      0.406 ppm2      0.610 CV     1
 OR {  551}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H6A ))
 OR {  551}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H6B ))
 OR {  551}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H5B ))
 OR {  551}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H5A ))
 ASSI {  560}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.500     1.500     1.500 peak   560 spectrum    1 weight  0.10000E+01 volume  0.21308E-02 ppm1      4.461 ppm2      2.901 CV     1
 OR {  560}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HE2 ))
 ASSI {  561}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.300     1.300     1.300 peak   561 spectrum    1 weight  0.10000E+01 volume  0.15477E-02 ppm1      4.454 ppm2      3.110 CV     1
 OR {  561}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 OR {  561}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  573}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak   573 spectrum    1 weight  0.10000E+01 volume  0.31234E-02 ppm1      0.608 ppm2      3.108 CV     1
 OR {  573}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
 OR {  573}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  601}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 63   and name HB  ))
      3.700     1.700     1.700 peak   601 spectrum    1 weight  0.10000E+01 volume  0.16392E-02 ppm1      0.335 ppm2      1.975 CV     1
 OR {  601}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HG1 ))
 OR {  601}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  601}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {  602}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
      2.900     1.100     1.100 peak   602 spectrum    1 weight  0.10000E+01 volume  0.20952E-02 ppm1      0.339 ppm2      2.422 CV     1
 OR {  602}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 62   and name HB1 ))
 OR {  602}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HB1 ))
 ASSI {  612}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 40   and name H4A ))
      2.200     2.200     3.800 peak   612 spectrum    1 weight  0.10000E+01 volume  0.34484E-02 ppm1      0.590 ppm2      0.706 CV     1
 OR {  612}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 40   and name H4B ))
 OR {  612}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 40   and name H4B ))
 OR {  612}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 46   and name HG1%)
 OR {  612}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 40   and name H4A ))
 OR {  612}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 14   and name HD1%)
 OR {  612}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 14   and name HD1%)
 OR {  612}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 46   and name HG1%)
 ASSI {  614}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HG11))
      2.300     0.700     0.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.47814E-02 ppm1      0.594 ppm2      1.956 CV     1
 OR {  614}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 11   and name HG  ))
 OR {  614}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 76   and name HG11))
 ASSI {  615}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HG11))
      2.200     0.600     0.600 peak   615 spectrum    1 weight  0.10000E+01 volume  0.58545E-02 ppm1      0.587 ppm2      1.520 CV     1
 OR {  615}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 50   and name HB% )
 ASSI {  616}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG11))
      3.100     1.200     1.200 peak   616 spectrum    1 weight  0.10000E+01 volume  0.14201E-02 ppm1      4.493 ppm2      1.545 CV     1
 OR {  616}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  617}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.700     1.700     1.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.20474E-02 ppm1      4.494 ppm2      1.944 CV     1
 OR {  617}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  617}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HG1 ))
 OR {  617}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  624}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
      3.100     1.200     1.200 peak   624 spectrum    1 weight  0.10000E+01 volume  0.16174E-02 ppm1      0.596 ppm2      7.465 CV     1
 OR {  624}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
 ASSI {  629}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
      3.900     1.900     1.900 peak   629 spectrum    1 weight  0.10000E+01 volume  0.59064E-03 ppm1      0.511 ppm2      7.704 CV     1
 OR {  629}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI {  633}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 54   and name HA  ))
      3.900     1.900     1.900 peak   633 spectrum    1 weight  0.10000E+01 volume  0.35909E-03 ppm1      0.514 ppm2      4.831 CV     1
 OR {  633}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
 ASSI {  635}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
      3.200     1.300     1.300 peak   635 spectrum    1 weight  0.10000E+01 volume  0.13760E-02 ppm1      0.515 ppm2      2.723 CV     1
 OR {  635}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HG1 ))
 ASSI {  637}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
      3.100     1.200     1.200 peak   637 spectrum    1 weight  0.10000E+01 volume  0.15026E-02 ppm1      3.486 ppm2      1.963 CV     1
 OR {  637}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 56   and name HB  ))
 ASSI {  639}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
      2.500     0.800     0.800 peak   639 spectrum    1 weight  0.10000E+01 volume  0.34386E-02 ppm1      3.486 ppm2      0.926 CV     1
 OR {  639}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
 OR {  639}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI {  640}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HG11))
      3.800     1.800     1.800 peak   640 spectrum    1 weight  0.10000E+01 volume  0.66180E-03 ppm1      0.514 ppm2      1.550 CV     1
 OR {  640}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 2    and name HB% )
 OR {  640}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 72   and name HB% )
 ASSI {  643}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HB2 ))
      3.800     1.800     1.800 peak   643 spectrum    1 weight  0.10000E+01 volume  0.78976E-03 ppm1      0.509 ppm2      2.128 CV     1
 OR {  643}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  709}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HA  ))
      3.100     1.200     1.200 peak   709 spectrum    1 weight  0.10000E+01 volume  0.15209E-02 ppm1      1.050 ppm2      4.485 CV     1
 OR {  709}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  709}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
 ASSI {  745}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      3.900     1.900     1.900 peak   745 spectrum    1 weight  0.10000E+01 volume  0.15028E-02 ppm1      1.103 ppm2      8.511 CV     1
 OR {  745}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  748}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
      2.500     0.800     0.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.56132E-02 ppm1      1.103 ppm2      0.547 CV     1
 OR {  748}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 76   and name HD1%)
 OR {  748}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  764}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 80   and name HA  ))
      3.600     1.600     1.600 peak   764 spectrum    1 weight  0.10000E+01 volume  0.19607E-02 ppm1      0.912 ppm2      4.411 CV     1
 OR {  764}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 36   and name HA  ))
 OR {  764}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  766}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.28550E-02 ppm1      0.917 ppm2      4.178 CV     1
 OR {  766}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  772}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
      2.800     1.000     1.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.24062E-02 ppm1      0.958 ppm2      4.407 CV     1
 OR {  772}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HA  ))
 OR {  772}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  773}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 51   and name HA  ))
      3.000     1.200     1.200 peak   773 spectrum    1 weight  0.10000E+01 volume  0.24655E-02 ppm1      0.961 ppm2      4.184 CV     1
 OR {  773}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
 OR {  773}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  774}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HG1 ))
      3.000     1.100     1.100 peak   774 spectrum    1 weight  0.10000E+01 volume  0.28077E-02 ppm1      0.960 ppm2      2.733 CV     1
 OR {  774}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  775}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 54   and name HB2 ))
      2.700     0.900     0.900 peak   775 spectrum    1 weight  0.10000E+01 volume  0.22202E-02 ppm1      0.914 ppm2      2.729 CV     1
 OR {  775}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HB1 ))
 OR {  775}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 80   and name HG1 ))
 ASSI {  776}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 79   and name HB2 ))
      3.300     1.300     1.300 peak   776 spectrum    1 weight  0.10000E+01 volume  0.19184E-02 ppm1      0.915 ppm2      2.481 CV     1
 OR {  776}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 51   and name HB1 ))
 OR {  776}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 78   and name HB1 ))
 ASSI {  778}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
      3.100     1.200     1.200 peak   778 spectrum    1 weight  0.10000E+01 volume  0.19561E-02 ppm1      0.956 ppm2      2.483 CV     1
 OR {  778}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  800}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 64   and name HG2 ))
      2.700     2.700     3.300 peak   800 spectrum    1 weight  0.10000E+01 volume  0.54260E-02 ppm1      1.117 ppm2      1.346 CV     1
 OR {  800}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 64   and name HG1 ))
 OR {  800}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 18   and name HG12))
 ASSI {  802}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      3.600     1.600     1.600 peak   802 spectrum    1 weight  0.10000E+01 volume  0.10855E-02 ppm1      1.261 ppm2      4.644 CV     1
 OR {  802}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  810}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 32   and name HN  ))
      4.100     2.100     1.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.44485E-03 ppm1      1.264 ppm2      8.172 CV     1
 OR {  810}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H41A))
 ASSI {  811}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.41505E-02 ppm1      0.725 ppm2      4.049 CV     1
 OR {  811}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  830}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      3.200     3.200     2.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.23500E-02 ppm1      0.643 ppm2      3.674 CV     1
 OR {  830}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  831}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HA  ))
      2.500     0.800     0.800 peak   831 spectrum    1 weight  0.10000E+01 volume  0.28465E-02 ppm1      0.646 ppm2      3.569 CV     1
 OR {  831}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  838}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 32   and name HZ  ))
      4.100     2.100     1.900 peak   838 spectrum    1 weight  0.10000E+01 volume  0.65313E-03 ppm1      0.648 ppm2      6.877 CV     1
 OR {  838}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 4    and name HE21))
 ASSI {  841}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      2.600     0.800     0.800 peak   841 spectrum    1 weight  0.10000E+01 volume  0.56857E-02 ppm1      3.406 ppm2      0.656 CV     1
 OR {  841}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI {  846}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 72   and name HB% )
      2.800     1.000     1.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.20973E-02 ppm1      3.409 ppm2      1.613 CV     1
 OR {  846}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  847}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
      2.400     0.700     0.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.44485E-02 ppm1      3.412 ppm2      0.987 CV     1
 OR {  847}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 48   and name HG1%)
 ASSI {  848}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 30   and name HB1 ))
      2.500     2.500     3.500 peak   848 spectrum    1 weight  0.10000E+01 volume  0.17036E-02 ppm1      0.435 ppm2      2.040 CV     1
 OR {  848}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 8    and name HB  ))
 OR {  848}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 27   and name HB1 ))
 OR {  848}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  850}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 15   and name HG2%)
      2.600     2.600     3.400 peak   850 spectrum    1 weight  0.10000E+01 volume  0.13555E-02 ppm1      0.438 ppm2      1.172 CV     1
 OR {  850}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 40   and name H3A ))
 OR {  850}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 40   and name H3B ))
 ASSI {  854}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
      2.600     0.800     0.800 peak   854 spectrum    1 weight  0.10000E+01 volume  0.32049E-02 ppm1      3.673 ppm2      0.552 CV     1
 OR {  854}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  854}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  856}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      3.100     1.200     1.200 peak   856 spectrum    1 weight  0.10000E+01 volume  0.78025E-03 ppm1      3.665 ppm2      1.776 CV     1
 OR {  856}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI {  863}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 48   and name HB  ))
      2.100     0.500     0.500 peak   863 spectrum    1 weight  0.10000E+01 volume  0.13277E-01 ppm1      0.991 ppm2      2.036 CV     1
 OR {  863}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HB  ))
 OR {  863}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 23   and name HB  ))
 ASSI {  864}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 16   and name HB1 ))
      2.400     2.400     3.600 peak   864 spectrum    1 weight  0.10000E+01 volume  0.23499E-02 ppm1      0.991 ppm2      3.100 CV     1
 OR {  864}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HB1 ))
 OR {  864}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 32   and name HB1 ))
 OR {  864}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 39   and name HB1 ))
 OR {  864}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {  865}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 16   and name HB2 ))
      2.500     2.500     3.500 peak   865 spectrum    1 weight  0.10000E+01 volume  0.19708E-02 ppm1      0.994 ppm2      2.745 CV     1
 OR {  865}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HB2 ))
 OR {  865}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  867}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 44   and name HA  ))
      2.500     0.800     0.800 peak   867 spectrum    1 weight  0.10000E+01 volume  0.55961E-02 ppm1      0.992 ppm2      3.605 CV     1
 OR {  867}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  869}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
      3.200     1.300     1.300 peak   869 spectrum    1 weight  0.10000E+01 volume  0.29067E-02 ppm1      0.769 ppm2      3.416 CV     1
 OR {  869}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  870}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HB1 ))
      3.000     1.100     1.100 peak   870 spectrum    1 weight  0.10000E+01 volume  0.29263E-02 ppm1      0.769 ppm2      2.278 CV     1
 OR {  870}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HB1 ))
 OR {  870}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HG2 ))
 OR {  870}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HG2 ))
 OR {  870}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 46   and name HB  ))
 ASSI {  880}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
      2.800     1.000     1.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.44690E-02 ppm1      0.811 ppm2      3.909 CV     1
 OR {  880}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  880}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 OR {  880}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  885}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 4    and name HB1 ))
      2.900     1.000     1.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.30738E-02 ppm1      0.814 ppm2      2.176 CV     1
 OR {  885}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 78   and name HB2 ))
 OR {  885}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
 OR {  885}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  978}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
      2.400     0.700     0.700 peak   978 spectrum    1 weight  0.10000E+01 volume  0.50801E-02 ppm1      4.708 ppm2      1.670 CV     1
 OR {  978}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 OR {  978}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1022}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.400     1.400 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.18145E-02 ppm1      1.603 ppm2      6.471 CV     1
 OR { 1022}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1025}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      3.500     1.600     1.600 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.69673E-03 ppm1      1.617 ppm2      3.939 CV     1
 OR { 1025}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 17   and name HA  ))
 OR { 1025}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 42   and name HB1 ))
 OR { 1025}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 20   and name HA2 ))
 ASSI { 1028}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HG12))
      2.500     0.800     0.800 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.30080E-02 ppm1      1.608 ppm2      1.308 CV     1
 OR { 1028}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HG12))
 OR { 1028}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HG11))
 ASSI { 1030}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      2.200     0.600     0.600 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.62976E-02 ppm1      1.605 ppm2      0.980 CV     1
 OR { 1030}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 21   and name HG2%)
 OR { 1030}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1030}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 1031}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 21   and name HD1%)
      3.000     1.100     1.100 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.13634E-02 ppm1      1.616 ppm2      0.783 CV     1
 OR { 1031}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HD1%)
 OR { 1031}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI { 1036}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
      3.300     1.400     1.400 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.91310E-03 ppm1      3.142 ppm2      1.867 CV     1
 OR { 1036}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 38   and name HB  ))
 OR { 1036}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 38   and name HB  ))
 OR { 1036}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 1038}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 33   and name HG2%)
      3.500     1.500     1.500 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.85794E-03 ppm1      3.149 ppm2      1.235 CV     1
 OR { 1038}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 40   and name H3A ))
 OR { 1038}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 33   and name HG2%)
 OR { 1038}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 40   and name H3B ))
 OR { 1038}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name H3A ))
 ASSI { 1050}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 15   and name HB  ))
      3.600     1.600     1.600 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.91042E-03 ppm1      1.293 ppm2      2.254 CV     1
 OR { 1050}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 36   and name HB1 ))
 OR { 1050}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 1057}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 38   and name HA  ))
      3.900     1.900     1.900 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.61954E-03 ppm1      1.535 ppm2      3.965 CV     1
 OR { 1057}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 42   and name HB1 ))
 OR { 1057}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 20   and name HA2 ))
 ASSI { 1058}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 42   and name HB2 ))
      3.700     1.700     1.700 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.10117E-02 ppm1      1.536 ppm2      3.619 CV     1
 OR { 1058}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1063}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 30   and name HE1 ))
      3.100     1.200     1.200 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.11754E-02 ppm1      0.762 ppm2      2.993 CV     1
 OR { 1063}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 1072}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 21   and name HG2%)
      2.200     0.600     0.600 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.10488E-01 ppm1      0.762 ppm2      0.995 CV     1
 OR { 1072}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 15   and name HG1%)
 OR { 1072}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1076}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
      3.400     1.500     1.500 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.10579E-02 ppm1      0.762 ppm2      3.050 CV     1
 OR { 1076}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 37   and name HB1 ))
 ASSI { 1094}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 46   and name HB  ))
      2.200     0.600     0.600 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.61875E-02 ppm1      0.666 ppm2      2.270 CV     1
 OR { 1094}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 69   and name HB  ))
 ASSI { 1097}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.35250E-02 ppm1      4.215 ppm2      7.734 CV     1
 OR { 1097}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 1125}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HD2 ))
      2.900     1.000     1.000 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.19062E-02 ppm1      3.896 ppm2      2.701 CV     1
 OR { 1125}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 1126}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      3.800     1.800     1.800 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.78641E-03 ppm1      3.892 ppm2      2.571 CV     1
 OR { 1126}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
 ASSI { 1129}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.700     0.900     0.900 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.64124E-02 ppm1      3.891 ppm2      0.819 CV     1
 OR { 1129}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1129}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1137}
   (  segid "    " and resid 77   and name HD2%)
   (  segid "    " and resid 7    and name HD1%)
      2.800     1.000     1.000 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.28385E-02 ppm1      0.812 ppm2      0.527 CV     1
 OR { 1137}
   (  segid "    " and resid 77   and name HD2%)
   (  segid "    " and resid 76   and name HG2%)
 OR { 1137}
   (  segid "    " and resid 77   and name HD1%)
   (  segid "    " and resid 76   and name HG2%)
 OR { 1137}
   (  segid "    " and resid 77   and name HD1%)
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1147}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.11014E-02 ppm1      3.144 ppm2      4.221 CV     1
 OR { 1147}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HB  ))
 ASSI { 1156}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      2.600     0.800     0.800 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.26328E-02 ppm1      3.142 ppm2      4.090 CV     1
 OR { 1156}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
 OR { 1156}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1159}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      5.100     3.200     0.900 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.22907E-03 ppm1      1.032 ppm2      3.510 CV     1
 OR { 1159}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 1166}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
      4.700     2.700     1.300 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.35860E-03 ppm1      1.038 ppm2      7.521 CV     1
 OR { 1166}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HE22))
 OR { 1166}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1173}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name H37A))
      3.800     1.800     1.800 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.80404E-03 ppm1      0.911 ppm2      3.439 CV     1
 OR { 1173}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
 OR { 1173}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 40   and name H37A))
 OR { 1173}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 54   and name HB1 ))
 OR { 1173}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 1174}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      3.000     1.200     1.200 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.17913E-02 ppm1      0.911 ppm2      3.948 CV     1
 OR { 1174}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1183}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      3.200     3.200     2.800 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.67763E-03 ppm1      1.517 ppm2      3.558 CV     1
 OR { 1183}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
 OR { 1183}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1187}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.31310E-02 ppm1      1.507 ppm2      4.126 CV     1
 OR { 1187}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 1192}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 54   and name HB1 ))
      3.700     1.700     1.700 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.15041E-02 ppm1      1.492 ppm2      3.424 CV     1
 OR { 1192}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
 OR { 1192}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 1194}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
      3.700     1.700     1.700 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.13082E-02 ppm1      1.486 ppm2      1.048 CV     1
 OR { 1194}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 14   and name HG12))
 OR { 1194}
   (  segid "    " and resid 9    and name HB% )
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 1213}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 36   and name HB1 ))
      5.600     4.000     0.400 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.23628E-03 ppm1      4.035 ppm2      2.260 CV     1
 OR { 1213}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR { 1213}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 24   and name HG1 ))
 OR { 1213}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 1219}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 5    and name HG1 ))
      4.600     2.600     1.400 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.87290E-03 ppm1      1.354 ppm2      2.468 CV     1
 OR { 1219}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HB1 ))
 ASSI { 1220}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 5    and name HG2 ))
      4.600     2.600     1.400 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.57016E-03 ppm1      1.356 ppm2      2.339 CV     1
 OR { 1220}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HG2 ))
 ASSI { 1222}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HB2 ))
      3.900     1.900     1.900 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.12694E-02 ppm1      1.351 ppm2      2.073 CV     1
 OR { 1222}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 5    and name HB1 ))
 OR { 1222}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HB2 ))
 ASSI { 1231}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
      3.700     1.700     1.700 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.11382E-02 ppm1      4.435 ppm2      3.928 CV     1
 OR { 1231}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 1244}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 54   and name HB2 ))
      4.800     2.900     1.200 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.38651E-03 ppm1      1.560 ppm2      2.733 CV     1
 OR { 1244}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 1251}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.900     1.000     1.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.20280E-02 ppm1      4.172 ppm2      7.839 CV     1
 OR { 1251}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1254}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.900     1.000     1.000 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.38524E-02 ppm1      4.160 ppm2      2.089 CV     1
 OR { 1254}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 1269}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.600     0.900     0.900 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.40400E-02 ppm1      3.923 ppm2      8.386 CV     1
 OR { 1269}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 1270}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 28   and name HD2%)
      3.400     1.400     1.400 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.12566E-02 ppm1      3.924 ppm2      0.906 CV     1
 OR { 1270}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 1271}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      4.200     2.200     1.800 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.44707E-03 ppm1      3.889 ppm2      9.219 CV     1
 OR { 1271}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 1272}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      4.100     2.100     1.900 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.47479E-03 ppm1      3.885 ppm2      7.705 CV     1
 OR { 1272}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
 OR { 1272}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 1275}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
      5.200     3.300     0.800 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.62666E-03 ppm1      3.875 ppm2      0.894 CV     1
 OR { 1275}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
 OR { 1275}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 76   and name HG12))
 OR { 1275}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 1277}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 3    and name HA  ))
      4.400     2.400     1.600 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.64769E-03 ppm1      3.887 ppm2      4.397 CV     1
 OR { 1277}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 1280}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 11   and name HD1%)
      4.200     2.200     1.800 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.87156E-03 ppm1      1.787 ppm2      0.857 CV     1
 OR { 1280}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1280}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 28   and name HD2%)
 OR { 1280}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 8    and name HG1%)
 OR { 1280}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 1281}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.84060E-03 ppm1      1.540 ppm2      3.898 CV     1
 OR { 1281}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1288}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      4.500     2.500     1.500 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.54310E-03 ppm1      0.510 ppm2      9.240 CV     1
 OR { 1288}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1291}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HE22))
      3.500     1.500     1.500 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.48627E-03 ppm1      0.517 ppm2      7.774 CV     1
 OR { 1291}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1296}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 6    and name HB2 ))
      3.800     1.800     1.800 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.60509E-03 ppm1      0.522 ppm2      2.148 CV     1
 OR { 1296}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
 OR { 1296}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
 OR { 1296}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HG2 ))
 OR { 1296}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1297}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 76   and name HG11))
      4.600     2.700     1.400 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.64693E-03 ppm1      0.524 ppm2      1.990 CV     1
 OR { 1297}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 11   and name HG  ))
 OR { 1297}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 56   and name HB  ))
 OR { 1297}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 8    and name HB  ))
 ASSI { 1299}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      3.300     1.400     1.400 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.87319E-03 ppm1      3.372 ppm2      0.552 CV     1
 OR { 1299}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 1299}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1305}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 12   and name HB% )
      4.100     2.100     1.900 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.94242E-03 ppm1      1.032 ppm2      1.677 CV     1
 OR { 1305}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1308}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 28   and name HN  ))
      4.100     2.100     1.900 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.54042E-03 ppm1      1.040 ppm2      8.501 CV     1
 OR { 1308}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1309}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      3.300     1.300     1.300 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.13346E-02 ppm1      4.224 ppm2      0.877 CV     1
 OR { 1309}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
 OR { 1309}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 1309}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
 OR { 1309}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 1310}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
      4.000     2.000     2.000 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.83198E-03 ppm1      4.224 ppm2      0.727 CV     1
 OR { 1310}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
 OR { 1310}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1311}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
      3.300     1.300     1.300 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.48866E-03 ppm1      4.225 ppm2      2.248 CV     1
 OR { 1311}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
 ASSI { 1319}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.600     0.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.61326E-04 ppm1      3.853 ppm2      8.163 CV     1
 OR { 1319}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1322}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 54   and name HA  ))
      3.900     3.900     2.100 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.38943E-03 ppm1      4.039 ppm2      4.799 CV     1
 OR { 1322}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 2    and name HA  ))
 ASSI { 1323}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 9    and name HA  ))
      3.900     1.900     1.900 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.67521E-03 ppm1      3.863 ppm2      4.199 CV     1
 OR { 1323}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 1331}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD1%)
      2.700     0.900     0.900 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.26049E-02 ppm1      1.273 ppm2      0.868 CV     1
 OR { 1331}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 1331}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 1333}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 26   and name HG1%)
      4.100     2.100     1.900 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.22960E-03 ppm1      1.265 ppm2      0.738 CV     1
 OR { 1333}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1335}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 69   and name HB  ))
      3.800     1.800     1.800 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.45096E-03 ppm1      0.850 ppm2      2.322 CV     1
 OR { 1335}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 51   and name HG2 ))
 OR { 1335}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
 ASSI { 1337}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 58   and name HD1%)
      2.400     0.700     0.700 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.41671E-02 ppm1      0.847 ppm2      0.558 CV     1
 OR { 1337}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
 OR { 1337}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 1342}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 54   and name HZ  ))
      4.800     2.900     1.200 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.36868E-03 ppm1      0.846 ppm2      7.469 CV     1
 OR { 1342}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 54   and name HD% )
 OR { 1342}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
 ASSI { 1344}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 32   and name HZ  ))
      3.400     1.400     1.400 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.51337E-03 ppm1      0.852 ppm2      6.861 CV     1
 OR { 1344}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 75   and name HD% )
 ASSI { 1346}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      4.700     2.800     1.300 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.42030E-03 ppm1      0.847 ppm2      7.127 CV     1
 OR { 1346}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 54   and name HE% )
 ASSI { 1353}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 76   and name HD1%)
      4.000     2.000     2.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.50323E-03 ppm1      1.994 ppm2      0.606 CV     1
 OR { 1353}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 40   and name H8% )
 OR { 1353}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 69   and name HG2%)
 OR { 1353}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 40   and name H6B ))
 OR { 1353}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 40   and name H6A ))
 ASSI { 1360}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      5.100     3.300     0.900 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.31946E-03 ppm1      4.042 ppm2      1.043 CV     1
 OR { 1360}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI { 1362}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      5.700     4.000     0.300 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.59077E-04 ppm1      1.681 ppm2      3.921 CV     1
 OR { 1362}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 20   and name HA2 ))
 OR { 1362}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 1367}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 26   and name HN  ))
      4.500     2.600     1.500 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.49724E-03 ppm1      1.679 ppm2      7.492 CV     1
 OR { 1367}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 54   and name HZ  ))
 ASSI { 1368}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 15   and name HB  ))
      4.200     2.200     1.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.76149E-03 ppm1      1.678 ppm2      2.243 CV     1
 OR { 1368}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HG2 ))
 OR { 1368}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HB1 ))
 OR { 1368}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HB2 ))
 ASSI { 1369}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 26   and name HG2%)
      3.000     1.100     1.100 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.14202E-02 ppm1      1.678 ppm2      0.879 CV     1
 OR { 1369}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 1375}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.400     1.400     1.400 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.11660E-02 ppm1      3.939 ppm2      3.105 CV     1
 OR { 1375}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 1396}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      3.700     1.700     1.700 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.56451E-03 ppm1      4.515 ppm2      1.879 CV     1
 OR { 1396}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1398}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.000     2.000     2.000 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.62721E-03 ppm1      4.519 ppm2      3.118 CV     1
 OR { 1398}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
 OR { 1398}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI { 1413}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 11   and name HD2%)
      4.300     2.400     1.700 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.61921E-03 ppm1      2.086 ppm2      0.849 CV     1
 OR { 1413}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 53   and name HG1 ))
 OR { 1413}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 21   and name HD1%)
 OR { 1413}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 11   and name HD1%)
 OR { 1413}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 47   and name HG1%)
 ASSI { 1426}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 18   and name HD1%)
      2.700     0.900     0.900 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.67123E-02 ppm1      1.049 ppm2      0.732 CV     1
 OR { 1426}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1429}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 10   and name HA1 ))
      4.200     2.200     1.800 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.52292E-03 ppm1      0.724 ppm2      4.081 CV     1
 OR { 1429}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 1434}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      4.100     2.100     1.900 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.72823E-03 ppm1      0.724 ppm2      3.818 CV     1
 OR { 1434}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 10   and name HA2 ))
 ASSI { 1444}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 15   and name HG2%)
      4.700     2.700     1.300 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.53577E-03 ppm1      0.731 ppm2      1.177 CV     1
 OR { 1444}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 1445}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HB2 ))
      3.500     1.600     1.600 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.45728E-03 ppm1      0.728 ppm2      2.227 CV     1
 OR { 1445}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 46   and name HB  ))
 OR { 1445}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 46   and name HB  ))
 OR { 1445}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 15   and name HB  ))
 OR { 1445}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 44   and name HB  ))
 ASSI { 1451}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.400     1.400     1.400 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.83830E-03 ppm1      3.597 ppm2      7.003 CV     1
 OR { 1451}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 32   and name HE% )
 ASSI { 1456}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.500     0.800     0.800 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.53217E-02 ppm1      3.587 ppm2      2.225 CV     1
 OR { 1456}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
 OR { 1456}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB  ))
 OR { 1456}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
 ASSI { 1459}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
      2.400     0.700     0.700 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.33158E-02 ppm1      3.600 ppm2      1.652 CV     1
 OR { 1459}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
 OR { 1459}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI { 1461}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HG12))
      4.200     2.200     1.800 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.46001E-03 ppm1      3.596 ppm2      1.289 CV     1
 OR { 1461}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
 OR { 1461}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI { 1462}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      4.400     2.400     1.600 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.75713E-03 ppm1      3.594 ppm2      0.756 CV     1
 OR { 1462}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
 OR { 1462}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI { 1467}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.600     1.600 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.55642E-03 ppm1      1.167 ppm2      4.255 CV     1
 OR { 1467}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1476}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
      4.500     2.500     1.500 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.49800E-03 ppm1      1.166 ppm2      7.316 CV     1
 OR { 1476}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1478}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      4.700     2.800     1.300 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.43324E-03 ppm1      1.166 ppm2      7.936 CV     1
 OR { 1478}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 1480}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 43   and name HG1 ))
      3.400     1.500     1.500 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.83960E-03 ppm1      1.169 ppm2      2.363 CV     1
 OR { 1480}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 26   and name HB  ))
 ASSI { 1481}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HG11))
      4.500     2.600     1.500 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.68630E-03 ppm1      1.163 ppm2      2.018 CV     1
 OR { 1481}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HG  ))
 ASSI { 1482}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 43   and name HB2 ))
      4.100     2.100     1.900 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.41013E-03 ppm1      1.163 ppm2      1.904 CV     1
 OR { 1482}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
 ASSI { 1484}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HA  ))
      4.300     2.300     1.700 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.93509E-03 ppm1      0.996 ppm2      4.339 CV     1
 OR { 1484}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 36   and name HA  ))
 OR { 1484}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1494}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 32   and name HE% )
      3.600     1.600     1.600 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.10073E-02 ppm1      0.992 ppm2      6.996 CV     1
 OR { 1494}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
 OR { 1494}
   (  segid "    " and resid 15   and name HG1%)
   (  segid "    " and resid 32   and name HE% )
 ASSI { 1499}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      2.900     1.100     1.100 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.15705E-02 ppm1      4.085 ppm2      8.193 CV     1
 OR { 1499}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
 OR { 1499}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 1501}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      4.400     2.500     1.600 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.62281E-03 ppm1      4.083 ppm2      8.327 CV     1
 OR { 1501}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1502}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.700     1.700     1.700 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.88663E-03 ppm1      4.083 ppm2      7.473 CV     1
 OR { 1502}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 1503}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      3.000     1.200     1.200 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.15676E-02 ppm1      4.081 ppm2      7.187 CV     1
 OR { 1503}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 32   and name HD% )
 ASSI { 1506}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.700     1.700     1.700 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.68463E-03 ppm1      4.088 ppm2      7.701 CV     1
 OR { 1506}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1514}
   (( segid "    " and resid 18   and name HG12))
   (  segid "    " and resid 18   and name HG2%)
      3.400     1.400     1.400 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.20178E-02 ppm1      1.303 ppm2      0.932 CV     1
 OR { 1514}
   (( segid "    " and resid 18   and name HG12))
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 1515}
   (( segid "    " and resid 18   and name HG11))
   (  segid "    " and resid 18   and name HG2%)
      3.000     1.100     1.100 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.15006E-02 ppm1      1.635 ppm2      0.934 CV     1
 OR { 1515}
   (( segid "    " and resid 18   and name HG11))
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 1520}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.52916E-03 ppm1      0.938 ppm2      7.923 CV     1
 OR { 1520}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1528}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 17   and name HG1 ))
      4.000     2.000     2.000 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.60203E-03 ppm1      0.769 ppm2      2.431 CV     1
 OR { 1528}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HG1 ))
 ASSI { 1532}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 21   and name HA  ))
      6.000     5.000     0.000 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.46558E-04 ppm1      1.526 ppm2      4.286 CV     1
 OR { 1532}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1534}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      4.800     2.800     1.200 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.35645E-03 ppm1      1.532 ppm2      8.236 CV     1
 OR { 1534}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1535}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 38   and name HN  ))
      5.400     3.600     0.600 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.91486E-04 ppm1      1.538 ppm2      8.040 CV     1
 OR { 1535}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 16   and name HD22))
 ASSI { 1540}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.600     1.600     1.600 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.24541E-02 ppm1      4.080 ppm2      2.277 CV     1
 OR { 1540}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1540}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
 OR { 1540}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 69   and name HB  ))
 ASSI { 1545}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 36   and name HG  ))
      3.400     1.400     1.400 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.85170E-03 ppm1      4.074 ppm2      1.466 CV     1
 OR { 1545}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 36   and name HG  ))
 ASSI { 1546}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.12429E-02 ppm1      4.076 ppm2      1.595 CV     1
 OR { 1546}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
 OR { 1546}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 30   and name HD1 ))
 OR { 1546}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1553}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      3.700     1.700     1.700 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.11344E-02 ppm1      3.958 ppm2      8.387 CV     1
 OR { 1553}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1561}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 43   and name HG1 ))
      4.400     2.400     1.600 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.60513E-03 ppm1      1.262 ppm2      2.316 CV     1
 OR { 1561}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 36   and name HB1 ))
 OR { 1561}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 1566}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 66   and name HD2%)
      3.200     1.300     1.300 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.92223E-03 ppm1      2.186 ppm2      0.616 CV     1
 OR { 1566}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H6A ))
 OR { 1566}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H5B ))
 OR { 1566}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H5A ))
 ASSI { 1568}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 76   and name HG11))
      4.000     2.000     2.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.42604E-03 ppm1      0.403 ppm2      1.946 CV     1
 OR { 1568}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
 OR { 1568}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
 OR { 1568}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 11   and name HG  ))
 OR { 1568}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 1569}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 58   and name HB  ))
      3.500     3.500     2.500 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.55010E-03 ppm1      0.411 ppm2      1.662 CV     1
 OR { 1569}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 74   and name HD2 ))
 OR { 1569}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 77   and name HG  ))
 OR { 1569}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1571}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      5.300     3.500     0.700 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.21662E-03 ppm1      0.410 ppm2      4.228 CV     1
 OR { 1571}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 1574}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 66   and name HD1%)
      2.600     2.600     3.400 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.13868E-02 ppm1      0.515 ppm2      0.394 CV     1
 OR { 1574}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 69   and name HG1%)
 ASSI { 1597}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 27   and name HA  ))
      3.300     3.300     2.700 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.46985E-03 ppm1      0.757 ppm2      4.648 CV     1
 OR { 1597}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 16   and name HA  ))
 OR { 1597}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 34   and name HA  ))
 OR { 1597}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 1600}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      3.300     1.400     1.400 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.10218E-02 ppm1      4.667 ppm2      0.914 CV     1
 OR { 1600}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 28   and name HD2%)
 OR { 1600}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
 OR { 1600}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 ASSI { 1603}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      4.300     2.300     1.700 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.42637E-03 ppm1      2.742 ppm2      3.610 CV     1
 OR { 1603}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1612}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.500     1.500 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.58968E-03 ppm1      3.649 ppm2      8.278 CV     1
 OR { 1612}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1613}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      3.300     3.300     2.700 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.12072E-02 ppm1      3.652 ppm2      4.086 CV     1
 OR { 1613}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 40   and name HB1 ))
 OR { 1613}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 1615}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      3.200     1.300     1.300 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.19621E-02 ppm1      3.656 ppm2      0.933 CV     1
 OR { 1615}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1616}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 19   and name HB% )
      3.600     1.600     1.600 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.40527E-03 ppm1      3.647 ppm2      1.545 CV     1
 OR { 1616}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
 ASSI { 1622}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      3.400     1.500     1.500 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.92563E-03 ppm1      3.946 ppm2      0.668 CV     1
 OR { 1622}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 1623}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
      2.500     0.800     0.800 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.56706E-02 ppm1      3.948 ppm2      0.938 CV     1
 OR { 1623}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1623}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
 OR { 1623}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 1624}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.500     1.500     1.500 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.68438E-03 ppm1      3.946 ppm2      1.106 CV     1
 OR { 1624}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI { 1625}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
      2.200     0.600     0.600 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.89375E-02 ppm1      3.944 ppm2      2.273 CV     1
 OR { 1625}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
 OR { 1625}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
 ASSI { 1634}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      4.100     2.100     1.900 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.87813E-03 ppm1      1.524 ppm2      3.904 CV     1
 OR { 1634}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 1638}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name HA  ))
      2.500     2.500     3.500 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.22650E-02 ppm1      1.538 ppm2      4.160 CV     1
 OR { 1638}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name HB2 ))
 OR { 1638}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 33   and name HB  ))
 OR { 1638}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name HB1 ))
 OR { 1638}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1644}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H37A))
      3.400     1.400     1.400 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.15029E-02 ppm1      1.536 ppm2      3.402 CV     1
 OR { 1644}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1645}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H42B))
      3.800     1.800     1.800 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.80957E-03 ppm1      1.543 ppm2      3.257 CV     1
 OR { 1645}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1656}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 47   and name HG2%)
      2.600     0.900     0.900 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.69920E-02 ppm1      1.539 ppm2      0.916 CV     1
 OR { 1656}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H7B ))
 OR { 1656}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H7A ))
 ASSI { 1660}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 32   and name HE% )
      3.600     1.700     1.700 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.11568E-02 ppm1      1.539 ppm2      6.984 CV     1
 OR { 1660}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1661}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 32   and name HZ  ))
      3.100     3.100     2.900 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.70524E-03 ppm1      1.540 ppm2      6.841 CV     1
 OR { 1661}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 75   and name HD% )
 ASSI { 1663}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.97765E-03 ppm1      1.538 ppm2      8.062 CV     1
 OR { 1663}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H36A))
 ASSI { 1676}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.600     1.700     1.700 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.66109E-03 ppm1      3.493 ppm2      2.511 CV     1
 OR { 1676}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
 ASSI { 1685}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 9    and name HB% )
      3.500     1.500     1.500 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.65916E-03 ppm1      2.292 ppm2      1.532 CV     1
 OR { 1685}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
 OR { 1685}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 43   and name HE% )
 OR { 1685}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 50   and name HB% )
 OR { 1685}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
 OR { 1685}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 2    and name HB% )
 ASSI { 1691}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.700     3.700     2.300 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.16956E-03 ppm1      5.246 ppm2      3.002 CV     1
 OR { 1691}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 30   and name HE1 ))
 ASSI { 1692}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      4.300     2.300     1.700 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.27105E-03 ppm1      5.251 ppm2      3.133 CV     1
 OR { 1692}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI { 1694}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      4.200     2.200     1.800 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.50080E-03 ppm1      4.499 ppm2      8.664 CV     1
 OR { 1694}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
 OR { 1694}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1712}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 29   and name HA  ))
      3.500     1.500     1.500 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.10250E-02 ppm1      4.345 ppm2      4.468 CV     1
 OR { 1712}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1742}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HN  ))
      4.000     2.000     2.000 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.12514E-02 ppm1      2.279 ppm2      8.312 CV     1
 OR { 1742}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1747}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 11   and name HB1 ))
      4.400     2.500     1.600 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.83453E-04 ppm1      0.441 ppm2      2.153 CV     1
 OR { 1747}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 66   and name HB1 ))
 OR { 1747}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 4    and name HG2 ))
 ASSI { 1754}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 27   and name HA  ))
      3.400     3.400     2.600 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.27931E-03 ppm1      0.437 ppm2      4.628 CV     1
 OR { 1754}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 25   and name HA  ))
 OR { 1754}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 34   and name HA  ))
 ASSI { 1756}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 35   and name HB2 ))
      3.300     3.300     2.700 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.33567E-03 ppm1      0.436 ppm2      2.738 CV     1
 OR { 1756}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 29   and name HB1 ))
 OR { 1756}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 1759}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 40   and name H2B ))
      3.300     3.300     2.700 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.33977E-03 ppm1      0.436 ppm2      2.438 CV     1
 OR { 1759}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 40   and name H2A ))
 OR { 1759}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 34   and name HB2 ))
 OR { 1759}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 1760}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      3.000     3.000     3.000 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.54470E-03 ppm1      0.648 ppm2      4.627 CV     1
 OR { 1760}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1762}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 35   and name HB1 ))
      3.500     1.500     1.500 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.28010E-03 ppm1      0.647 ppm2      3.045 CV     1
 OR { 1762}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 30   and name HE1 ))
 OR { 1762}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 27   and name HE1 ))
 OR { 1762}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 27   and name HE2 ))
 OR { 1762}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 67   and name HE1 ))
 OR { 1762}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1763}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 72   and name HB% )
      3.300     1.300     1.300 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.22393E-02 ppm1      1.104 ppm2      1.622 CV     1
 OR { 1763}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 1771}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.900     1.900     1.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.91562E-03 ppm1      0.668 ppm2      8.790 CV     1
 OR { 1771}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1776}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
      3.500     1.500     1.500 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.22933E-03 ppm1      0.587 ppm2      8.401 CV     1
 OR { 1776}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
 OR { 1776}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
 OR { 1776}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 1778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 54   and name HB2 ))
      3.500     1.500     1.500 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.66310E-03 ppm1      0.590 ppm2      2.741 CV     1
 OR { 1778}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 54   and name HB2 ))
 OR { 1778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 1779}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 51   and name HB2 ))
      3.200     1.300     1.300 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.62046E-03 ppm1      0.594 ppm2      2.093 CV     1
 OR { 1779}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1779}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
 OR { 1779}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
 OR { 1779}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 1795}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      4.900     3.000     1.100 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.38592E-03 ppm1      0.516 ppm2      3.661 CV     1
 OR { 1795}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 1799}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      4.400     2.400     1.600 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.35533E-03 ppm1      0.342 ppm2      7.746 CV     1
 OR { 1799}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 65   and name HD22))
 OR { 1799}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1802}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      3.500     3.500     2.500 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.27391E-03 ppm1      0.340 ppm2      3.948 CV     1
 OR { 1802}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
 OR { 1802}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1803}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
      4.500     2.500     1.500 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.37447E-03 ppm1      0.336 ppm2      4.078 CV     1
 OR { 1803}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 1806}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 66   and name HG  ))
      4.000     2.000     2.000 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.39214E-03 ppm1      0.339 ppm2      1.831 CV     1
 OR { 1806}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 1808}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 75   and name HB2 ))
      5.000     3.100     1.000 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.22437E-03 ppm1      0.338 ppm2      3.085 CV     1
 OR { 1808}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 65   and name HB1 ))
 ASSI { 1809}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.600     1.600     1.600 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.54135E-03 ppm1      3.484 ppm2      7.714 CV     1
 OR { 1809}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 1813}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      4.300     2.400     1.700 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.52572E-03 ppm1      2.052 ppm2      8.154 CV     1
 OR { 1813}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 OR { 1813}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 1814}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
      4.200     2.200     1.800 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.46177E-03 ppm1      2.058 ppm2      8.042 CV     1
 OR { 1814}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
 OR { 1814}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 1816}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      3.900     1.900     1.900 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.11281E-02 ppm1      2.055 ppm2      4.479 CV     1
 OR { 1816}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
 OR { 1816}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI { 1821}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      4.600     2.700     1.400 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.33057E-03 ppm1      3.295 ppm2      1.048 CV     1
 OR { 1821}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
 OR { 1821}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 1822}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      4.000     2.000     2.000 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.77392E-03 ppm1      3.301 ppm2      0.726 CV     1
 OR { 1822}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 1822}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 1823}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
      4.100     2.100     1.900 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.60606E-03 ppm1      3.296 ppm2      3.952 CV     1
 OR { 1823}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1830}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.700     1.700     1.700 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.83642E-03 ppm1      4.050 ppm2      7.922 CV     1
 OR { 1830}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1833}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      4.300     2.300     1.700 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.58909E-03 ppm1      3.946 ppm2      0.598 CV     1
 OR { 1833}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
 OR { 1833}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 1834}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
      3.200     1.300     1.300 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.24445E-02 ppm1      3.947 ppm2      0.939 CV     1
 OR { 1834}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 1834}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 40   and name H7B ))
 OR { 1834}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 40   and name H7A ))
 OR { 1834}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
 OR { 1834}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 1835}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
      3.200     1.300     1.300 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.24300E-02 ppm1      3.948 ppm2      2.266 CV     1
 OR { 1835}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 1838}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 58   and name HG11))
      3.500     1.600     1.600 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.77439E-03 ppm1      4.166 ppm2      1.534 CV     1
 OR { 1838}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 OR { 1838}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 43   and name HE% )
 ASSI { 1844}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.79043E-03 ppm1      2.730 ppm2      0.522 CV     1
 OR { 1844}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 7    and name HD1%)
 OR { 1844}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1850}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
      3.100     1.200     1.200 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.15312E-02 ppm1      0.912 ppm2      0.584 CV     1
 OR { 1850}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 40   and name H8% )
 ASSI { 1854}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 28   and name HB2 ))
      3.600     1.600     1.600 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.57854E-03 ppm1      3.786 ppm2      1.460 CV     1
 OR { 1854}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 74   and name HG2 ))
 OR { 1854}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 74   and name HG1 ))
 OR { 1854}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1856}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 28   and name HB2 ))
      3.600     1.600     1.600 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.57883E-03 ppm1      4.014 ppm2      1.478 CV     1
 OR { 1856}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 74   and name HG2 ))
 OR { 1856}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 67   and name HG2 ))
 OR { 1856}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 74   and name HG1 ))
 ASSI { 1858}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG1 ))
      3.300     1.300     1.300 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.18170E-02 ppm1      4.046 ppm2      2.437 CV     1
 OR { 1858}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H2A ))
 OR { 1858}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {   23}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      5.600     3.900     0.400 peak    23 spectrum    1 weight  0.10000E+01 volume  0.12290E-03 ppm1      9.223 ppm2      3.951 CV     1
 OR {   23}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {   48}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      4.400     2.400     1.600 peak    48 spectrum    1 weight  0.10000E+01 volume  0.83487E-03 ppm1      7.685 ppm2      1.548 CV     1
 OR {   48}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 9    and name HB% )
 OR {   48}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {   49}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.100     1.200     1.200 peak    49 spectrum    1 weight  0.10000E+01 volume  0.36456E-02 ppm1      7.686 ppm2      2.479 CV     1
 OR {   49}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
 ASSI {   51}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.400     0.700     0.700 peak    51 spectrum    1 weight  0.10000E+01 volume  0.29499E-02 ppm1      7.685 ppm2      2.100 CV     1
 OR {   51}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {   52}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.700     1.700     1.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.89999E-03 ppm1      7.691 ppm2      1.981 CV     1
 OR {   52}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {   76}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.900     1.900     1.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.72069E-03 ppm1      8.381 ppm2      3.705 CV     1
 OR {   76}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {   78}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak    78 spectrum    1 weight  0.10000E+01 volume  0.24574E-02 ppm1      8.381 ppm2      7.727 CV     1
 OR {   78}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {   89}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.300     0.700     0.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.53682E-02 ppm1      7.727 ppm2      8.385 CV     1
 OR {   89}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {   92}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.700     1.700     1.700 peak    92 spectrum    1 weight  0.10000E+01 volume  0.76990E-03 ppm1      8.390 ppm2      4.230 CV     1
 OR {   92}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  101}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      4.400     2.400     1.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.43027E-03 ppm1      8.382 ppm2      2.000 CV     1
 OR {  101}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
 ASSI {  104}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      5.300     3.500     0.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.20644E-03 ppm1      9.226 ppm2      0.637 CV     1
 OR {  104}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
 OR {  104}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 OR {  104}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 OR {  104}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 OR {  104}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 40   and name H6B ))
 ASSI {  105}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.100     2.100     1.900 peak   105 spectrum    1 weight  0.10000E+01 volume  0.66122E-03 ppm1      9.223 ppm2      0.554 CV     1
 OR {  105}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  105}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  107}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.500     2.500     1.500 peak   107 spectrum    1 weight  0.10000E+01 volume  0.31354E-03 ppm1      9.221 ppm2      0.732 CV     1
 OR {  107}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  136}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      4.000     2.000     2.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.10429E-02 ppm1      8.917 ppm2      0.893 CV     1
 OR {  136}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 OR {  136}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  136}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  137}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      3.600     1.600     1.600 peak   137 spectrum    1 weight  0.10000E+01 volume  0.91495E-03 ppm1      8.915 ppm2      0.729 CV     1
 OR {  137}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  140}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      4.200     2.200     1.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.64564E-03 ppm1      8.918 ppm2      2.308 CV     1
 OR {  140}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  140}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  142}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      4.600     2.700     1.400 peak   142 spectrum    1 weight  0.10000E+01 volume  0.42679E-03 ppm1      8.916 ppm2      1.996 CV     1
 OR {  142}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
 ASSI {  145}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   145 spectrum    1 weight  0.10000E+01 volume  0.13440E-02 ppm1      8.917 ppm2      4.225 CV     1
 OR {  145}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  149}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.300     1.300     1.300 peak   149 spectrum    1 weight  0.10000E+01 volume  0.13659E-02 ppm1      7.935 ppm2      4.048 CV     1
 OR {  149}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
 ASSI {  151}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      3.700     1.700     1.700 peak   151 spectrum    1 weight  0.10000E+01 volume  0.57138E-03 ppm1      7.933 ppm2      3.837 CV     1
 OR {  151}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  157}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      5.400     3.600     0.600 peak   157 spectrum    1 weight  0.10000E+01 volume  0.26516E-03 ppm1      7.930 ppm2      1.063 CV     1
 OR {  157}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 OR {  157}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI {  158}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
      5.000     3.100     1.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.35178E-03 ppm1      7.939 ppm2      1.025 CV     1
 OR {  158}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 OR {  158}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  158}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  158}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI {  159}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      4.300     2.300     1.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.72492E-03 ppm1      7.935 ppm2      0.958 CV     1
 OR {  159}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  159}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  159}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  159}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI {  163}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak   163 spectrum    1 weight  0.10000E+01 volume  0.11262E-02 ppm1      8.158 ppm2      4.247 CV     1
 OR {  163}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  164}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.900     1.900     1.900 peak   164 spectrum    1 weight  0.10000E+01 volume  0.44351E-03 ppm1      8.152 ppm2      4.052 CV     1
 OR {  164}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
 ASSI {  165}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.600     1.600     1.600 peak   165 spectrum    1 weight  0.10000E+01 volume  0.70180E-03 ppm1      8.165 ppm2      3.925 CV     1
 OR {  165}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 OR {  165}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  167}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.100     1.200     1.200 peak   167 spectrum    1 weight  0.10000E+01 volume  0.17133E-02 ppm1      8.158 ppm2      2.246 CV     1
 OR {  167}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  167}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
 OR {  167}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  213}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
      4.600     2.600     1.400 peak   213 spectrum    1 weight  0.10000E+01 volume  0.36665E-03 ppm1      8.469 ppm2      1.290 CV     1
 OR {  213}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
 OR {  213}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI {  214}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      4.300     2.300     1.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.30738E-03 ppm1      8.469 ppm2      2.240 CV     1
 OR {  214}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  214}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
 OR {  214}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  224}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      4.300     2.400     1.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.44141E-03 ppm1      6.464 ppm2      8.061 CV     1
 OR {  224}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  226}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      4.000     2.000     2.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.23679E-03 ppm1      6.462 ppm2      3.102 CV     1
 OR {  226}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 OR {  226}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  230}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      4.900     3.000     1.100 peak   230 spectrum    1 weight  0.10000E+01 volume  0.27384E-03 ppm1      6.462 ppm2      0.916 CV     1
 OR {  230}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  230}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  234}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.800     2.900     1.200 peak   234 spectrum    1 weight  0.10000E+01 volume  0.40994E-03 ppm1      8.502 ppm2      4.036 CV     1
 OR {  234}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HD1 ))
 ASSI {  252}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      3.200     1.300     1.300 peak   252 spectrum    1 weight  0.10000E+01 volume  0.10510E-02 ppm1      7.730 ppm2      0.998 CV     1
 OR {  252}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
 OR {  252}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
 OR {  252}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  264}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.800     1.800     1.800 peak   264 spectrum    1 weight  0.10000E+01 volume  0.68094E-03 ppm1      7.474 ppm2      0.999 CV     1
 OR {  264}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
 OR {  264}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  264}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  266}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
      4.500     2.500     1.500 peak   266 spectrum    1 weight  0.10000E+01 volume  0.27850E-03 ppm1      7.479 ppm2      1.339 CV     1
 OR {  266}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
 OR {  266}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  266}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  268}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.800     1.800     1.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.46244E-03 ppm1      7.477 ppm2      2.021 CV     1
 OR {  268}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 OR {  268}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 OR {  268}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 OR {  268}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
 ASSI {  290}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      5.300     3.500     0.700 peak   290 spectrum    1 weight  0.10000E+01 volume  0.15101E-03 ppm1      8.390 ppm2      1.040 CV     1
 OR {  290}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  296}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      4.500     2.600     1.500 peak   296 spectrum    1 weight  0.10000E+01 volume  0.43781E-03 ppm1      7.503 ppm2      0.760 CV     1
 OR {  296}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 OR {  296}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI {  299}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      5.100     3.200     0.900 peak   299 spectrum    1 weight  0.10000E+01 volume  0.16178E-03 ppm1      7.497 ppm2      1.068 CV     1
 OR {  299}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 OR {  299}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  306}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      4.000     2.000     2.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.56677E-03 ppm1      7.504 ppm2      2.600 CV     1
 OR {  306}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI {  307}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      4.600     2.700     1.400 peak   307 spectrum    1 weight  0.10000E+01 volume  0.53364E-03 ppm1      7.505 ppm2      3.022 CV     1
 OR {  307}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HE1 ))
 OR {  307}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI {  323}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      5.500     3.800     0.500 peak   323 spectrum    1 weight  0.10000E+01 volume  0.18508E-03 ppm1     10.154 ppm2      2.273 CV     1
 OR {  323}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
 ASSI {  337}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.100     2.100     1.900 peak   337 spectrum    1 weight  0.10000E+01 volume  0.38211E-03 ppm1     10.160 ppm2      7.481 CV     1
 OR {  337}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  350}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak   350 spectrum    1 weight  0.10000E+01 volume  0.11088E-02 ppm1      8.615 ppm2      4.091 CV     1
 OR {  350}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  364}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.100     1.200     1.200 peak   364 spectrum    1 weight  0.10000E+01 volume  0.17987E-02 ppm1      7.700 ppm2      3.862 CV     1
 OR {  364}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  369}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.600     0.900     0.900 peak   369 spectrum    1 weight  0.10000E+01 volume  0.26056E-02 ppm1      7.705 ppm2      2.506 CV     1
 OR {  369}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
 ASSI {  370}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      4.600     2.600     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.51366E-03 ppm1      7.704 ppm2      1.459 CV     1
 OR {  370}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
 ASSI {  371}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      4.300     2.300     1.700 peak   371 spectrum    1 weight  0.10000E+01 volume  0.27791E-03 ppm1      7.710 ppm2      1.776 CV     1
 OR {  371}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR {  371}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
 ASSI {  377}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      4.500     2.600     1.500 peak   377 spectrum    1 weight  0.10000E+01 volume  0.51768E-03 ppm1      7.462 ppm2      0.947 CV     1
 OR {  377}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
 OR {  377}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  377}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 ASSI {  386}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.100     2.100     1.900 peak   386 spectrum    1 weight  0.10000E+01 volume  0.31277E-03 ppm1      7.468 ppm2      2.476 CV     1
 OR {  386}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  423}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      5.100     3.300     0.900 peak   423 spectrum    1 weight  0.10000E+01 volume  0.28999E-03 ppm1      8.125 ppm2      3.975 CV     1
 OR {  423}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name H32A))
 OR {  423}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  431}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      3.400     1.500     1.500 peak   431 spectrum    1 weight  0.10000E+01 volume  0.10726E-02 ppm1      8.385 ppm2      0.930 CV     1
 OR {  431}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HD2%)
 OR {  431}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 OR {  431}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 OR {  431}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
 ASSI {  449}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.000     1.100     1.100 peak   449 spectrum    1 weight  0.10000E+01 volume  0.18723E-02 ppm1      8.312 ppm2      0.919 CV     1
 OR {  449}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  449}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 OR {  449}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
 OR {  449}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 OR {  449}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name H7B ))
 ASSI {  466}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.900     1.900     1.900 peak   466 spectrum    1 weight  0.10000E+01 volume  0.65477E-03 ppm1      7.295 ppm2      8.036 CV     1
 OR {  466}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name H36A))
 ASSI {  481}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.900     1.100     1.100 peak   481 spectrum    1 weight  0.10000E+01 volume  0.17388E-02 ppm1      8.049 ppm2      3.942 CV     1
 OR {  481}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  485}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      3.600     1.700     1.700 peak   485 spectrum    1 weight  0.10000E+01 volume  0.10645E-02 ppm1      8.047 ppm2      0.775 CV     1
 OR {  485}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  485}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  487}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      4.000     2.000     2.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.70268E-03 ppm1      8.045 ppm2      0.903 CV     1
 OR {  487}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 OR {  487}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI {  518}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      4.300     2.300     1.700 peak   518 spectrum    1 weight  0.10000E+01 volume  0.41257E-03 ppm1      8.773 ppm2      0.623 CV     1
 OR {  518}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 OR {  518}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 OR {  518}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  520}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
      5.300     3.500     0.700 peak   520 spectrum    1 weight  0.10000E+01 volume  0.17113E-03 ppm1      8.776 ppm2      0.887 CV     1
 OR {  520}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 OR {  520}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 OR {  520}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  520}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 40   and name H7B ))
 OR {  520}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 40   and name H7A ))
 OR {  520}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI {  521}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      4.500     2.500     1.500 peak   521 spectrum    1 weight  0.10000E+01 volume  0.43706E-03 ppm1      8.771 ppm2      2.088 CV     1
 OR {  521}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 OR {  521}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI {  522}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      4.000     2.000     2.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.40900E-03 ppm1      8.773 ppm2      3.423 CV     1
 OR {  522}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  532}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
      4.100     2.100     1.900 peak   532 spectrum    1 weight  0.10000E+01 volume  0.78863E-03 ppm1      8.839 ppm2      0.870 CV     1
 OR {  532}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 OR {  532}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 OR {  532}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 OR {  532}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  532}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI {  544}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.700     1.700     1.700 peak   544 spectrum    1 weight  0.10000E+01 volume  0.94812E-03 ppm1      7.746 ppm2      3.938 CV     1
 OR {  544}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  549}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.700     1.700     1.700 peak   549 spectrum    1 weight  0.10000E+01 volume  0.17622E-02 ppm1      8.197 ppm2      2.125 CV     1
 OR {  549}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  559}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
      4.300     2.400     1.700 peak   559 spectrum    1 weight  0.10000E+01 volume  0.45582E-03 ppm1      8.134 ppm2      0.917 CV     1
 OR {  559}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 OR {  559}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  560}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.300     2.300     1.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.39135E-03 ppm1      8.140 ppm2      0.842 CV     1
 OR {  560}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  582}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
      3.900     1.900     1.900 peak   582 spectrum    1 weight  0.10000E+01 volume  0.50202E-03 ppm1      7.714 ppm2      2.453 CV     1
 OR {  582}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H2B ))
 OR {  582}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  601}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.900     1.100     1.100 peak   601 spectrum    1 weight  0.10000E+01 volume  0.17540E-02 ppm1      8.515 ppm2      3.491 CV     1
 OR {  601}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  602}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
      2.300     0.700     0.700 peak   602 spectrum    1 weight  0.10000E+01 volume  0.32701E-02 ppm1      8.516 ppm2      1.957 CV     1
 OR {  602}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI {  610}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      5.200     3.300     0.800 peak   610 spectrum    1 weight  0.10000E+01 volume  0.25580E-03 ppm1      8.341 ppm2      0.627 CV     1
 OR {  610}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
 ASSI {  625}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.400     1.400     1.400 peak   625 spectrum    1 weight  0.10000E+01 volume  0.11045E-02 ppm1      7.278 ppm2      1.772 CV     1
 OR {  625}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
 ASSI {  643}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      4.400     2.400     1.600 peak   643 spectrum    1 weight  0.10000E+01 volume  0.46625E-03 ppm1      7.828 ppm2      2.108 CV     1
 OR {  643}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  653}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.700     1.700     1.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.52828E-03 ppm1      9.414 ppm2      1.462 CV     1
 OR {  653}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
 OR {  653}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 OR {  653}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
 ASSI {  654}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      4.100     2.100     1.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.30147E-03 ppm1      9.418 ppm2      1.737 CV     1
 OR {  654}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
 OR {  654}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI {  656}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      4.200     2.200     1.800 peak   656 spectrum    1 weight  0.10000E+01 volume  0.39787E-03 ppm1      9.413 ppm2      0.893 CV     1
 OR {  656}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  656}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  656}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  656}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI {  657}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      3.800     1.800     1.800 peak   657 spectrum    1 weight  0.10000E+01 volume  0.10549E-02 ppm1      9.415 ppm2      0.799 CV     1
 OR {  657}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {  691}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.100     2.100     1.900 peak   691 spectrum    1 weight  0.10000E+01 volume  0.36151E-03 ppm1      7.882 ppm2      0.515 CV     1
 OR {  691}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  701}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.000     1.100     1.100 peak   701 spectrum    1 weight  0.10000E+01 volume  0.16824E-02 ppm1      7.481 ppm2      1.941 CV     1
 OR {  701}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HG1 ))
 OR {  701}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
 OR {  701}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {  714}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 1    and name HB% )
      3.500     1.600     1.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.11964E-02 ppm1      7.634 ppm2      1.524 CV     1
 OR {  714}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 2    and name HB% )
 ASSI {  716}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 7    and name HD1%)
      3.200     1.300     1.300 peak   716 spectrum    1 weight  0.10000E+01 volume  0.12712E-02 ppm1      7.634 ppm2      0.525 CV     1
 OR {  716}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  717}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 7    and name HD1%)
      3.200     1.300     1.300 peak   717 spectrum    1 weight  0.10000E+01 volume  0.85208E-03 ppm1      7.733 ppm2      0.525 CV     1
 OR {  717}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  724}
   (( segid "    " and resid 4    and name HE22))
   (  segid "    " and resid 28   and name HD1%)
      4.000     2.000     2.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.68932E-03 ppm1      7.505 ppm2      0.807 CV     1
 OR {  724}
   (( segid "    " and resid 4    and name HE22))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  725}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak   725 spectrum    1 weight  0.10000E+01 volume  0.16865E-02 ppm1      8.062 ppm2      4.298 CV     1
 OR {  725}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  727}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 20   and name HA2 ))
      4.000     2.000     2.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.43190E-03 ppm1      8.066 ppm2      3.935 CV     1
 OR {  727}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  730}
   (( segid "    " and resid 16   and name HD22))
   (  segid "    " and resid 23   and name HG2%)
      3.800     1.800     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.10432E-02 ppm1      8.058 ppm2      0.983 CV     1
 OR {  730}
   (( segid "    " and resid 16   and name HD22))
   (  segid "    " and resid 23   and name HG1%)
 OR {  730}
   (( segid "    " and resid 16   and name HD22))
   (  segid "    " and resid 15   and name HG1%)
 OR {  730}
   (( segid "    " and resid 16   and name HD22))
   (  segid "    " and resid 21   and name HG2%)
 ASSI {  733}
   (( segid "    " and resid 16   and name HD21))
   (  segid "    " and resid 23   and name HG2%)
      3.900     1.900     1.900 peak   733 spectrum    1 weight  0.10000E+01 volume  0.70607E-03 ppm1      6.843 ppm2      1.003 CV     1
 OR {  733}
   (( segid "    " and resid 16   and name HD21))
   (  segid "    " and resid 23   and name HG1%)
 OR {  733}
   (( segid "    " and resid 16   and name HD21))
   (  segid "    " and resid 21   and name HG2%)
 OR {  733}
   (( segid "    " and resid 16   and name HD21))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  735}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak   735 spectrum    1 weight  0.10000E+01 volume  0.14042E-02 ppm1      6.853 ppm2      4.302 CV     1
 OR {  735}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  742}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.100     1.200     1.200 peak   742 spectrum    1 weight  0.10000E+01 volume  0.10641E-02 ppm1      8.257 ppm2      3.907 CV     1
 OR {  742}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  743}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      2.600     0.900     0.900 peak   743 spectrum    1 weight  0.10000E+01 volume  0.34430E-02 ppm1      8.258 ppm2      2.529 CV     1
 OR {  743}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  745}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.200     1.300     1.300 peak   745 spectrum    1 weight  0.10000E+01 volume  0.22295E-02 ppm1      8.259 ppm2      1.770 CV     1
 OR {  745}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {  747}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.600     0.800     0.800 peak   747 spectrum    1 weight  0.10000E+01 volume  0.26124E-02 ppm1      8.491 ppm2      3.901 CV     1
 OR {  747}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 OR {  747}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  748}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
      2.600     0.800     0.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.38522E-02 ppm1      8.491 ppm2      1.634 CV     1
 OR {  748}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  748}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
 ASSI {  749}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      2.000     0.500     0.500 peak   749 spectrum    1 weight  0.10000E+01 volume  0.78163E-02 ppm1      8.496 ppm2      1.772 CV     1
 OR {  749}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 OR {  749}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  759}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      3.700     1.700     1.700 peak   759 spectrum    1 weight  0.10000E+01 volume  0.11737E-02 ppm1      8.643 ppm2      0.827 CV     1
 OR {  759}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
 OR {  759}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  759}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 OR {  759}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  761}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      4.300     2.300     1.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.56610E-03 ppm1      8.642 ppm2      0.563 CV     1
 OR {  761}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  761}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
 OR {  761}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 OR {  761}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  766}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.800     1.000     1.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.24550E-02 ppm1      7.940 ppm2      1.970 CV     1
 OR {  766}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI {  767}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.300     1.400     1.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.14903E-02 ppm1      7.939 ppm2      1.912 CV     1
 OR {  767}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI {  769}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      3.900     1.900     1.900 peak   769 spectrum    1 weight  0.10000E+01 volume  0.12149E-02 ppm1      7.939 ppm2      0.610 CV     1
 OR {  769}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  769}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  785}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.200     2.200     1.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.45385E-03 ppm1      7.808 ppm2      0.985 CV     1
 OR {  785}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
 OR {  785}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  788}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak   788 spectrum    1 weight  0.10000E+01 volume  0.53804E-03 ppm1      8.789 ppm2      4.246 CV     1
 OR {  788}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  795}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.700     1.700     1.700 peak   795 spectrum    1 weight  0.10000E+01 volume  0.21471E-02 ppm1      8.789 ppm2      1.010 CV     1
 OR {  795}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  811}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.500     1.600     1.600 peak   811 spectrum    1 weight  0.10000E+01 volume  0.13392E-02 ppm1      8.688 ppm2      3.935 CV     1
 OR {  811}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  811}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
 OR {  811}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  812}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.800     1.800     1.800 peak   812 spectrum    1 weight  0.10000E+01 volume  0.51965E-03 ppm1      8.691 ppm2      4.043 CV     1
 OR {  812}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
 ASSI {  815}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      4.600     2.600     1.400 peak   815 spectrum    1 weight  0.10000E+01 volume  0.29000E-03 ppm1      8.689 ppm2      1.676 CV     1
 OR {  815}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  817}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      4.400     2.400     1.600 peak   817 spectrum    1 weight  0.10000E+01 volume  0.62210E-03 ppm1      8.694 ppm2      0.917 CV     1
 OR {  817}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  817}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  821}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.800     1.800     1.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.47282E-03 ppm1      8.688 ppm2      8.180 CV     1
 OR {  821}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  845}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      3.800     1.800     1.800 peak   845 spectrum    1 weight  0.10000E+01 volume  0.82963E-03 ppm1      8.208 ppm2      0.619 CV     1
 OR {  845}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 ASSI {  853}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.400     1.500     1.500 peak   853 spectrum    1 weight  0.10000E+01 volume  0.85916E-03 ppm1      8.514 ppm2      3.670 CV     1
 OR {  853}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  854}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.700     1.700     1.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.20074E-02 ppm1      8.518 ppm2      0.601 CV     1
 OR {  854}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI {  855}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
      3.600     1.600     1.600 peak   855 spectrum    1 weight  0.10000E+01 volume  0.22787E-02 ppm1      8.514 ppm2      0.921 CV     1
 OR {  855}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 OR {  855}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI {  877}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      4.400     2.400     1.600 peak   877 spectrum    1 weight  0.10000E+01 volume  0.31359E-03 ppm1      6.358 ppm2      0.630 CV     1
 OR {  877}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  888}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      4.400     2.400     1.600 peak   888 spectrum    1 weight  0.10000E+01 volume  0.28324E-03 ppm1      7.903 ppm2      0.666 CV     1
 OR {  888}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  901}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      4.200     2.200     1.800 peak   901 spectrum    1 weight  0.10000E+01 volume  0.41449E-03 ppm1      8.192 ppm2      1.258 CV     1
 OR {  901}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 40   and name H3A ))
 ASSI {  904}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      4.700     2.800     1.300 peak   904 spectrum    1 weight  0.10000E+01 volume  0.47726E-03 ppm1      8.189 ppm2      4.358 CV     1
 OR {  904}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
 OR {  904}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {   24}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 40   and name H5B ))
      4.500     2.500     1.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.52049E-03 ppm1      2.191 ppm2      0.657 CV     1
 OR {   24}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 40   and name H5A ))
 OR {   24}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 40   and name H6A ))
 OR {   24}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H6B ))
 OR {   24}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H6A ))
 OR {   24}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H5B ))
 OR {   24}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H5A ))
 ASSI {   27}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H4A ))
      4.000     2.000     2.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.57112E-03 ppm1      2.202 ppm2      0.743 CV     1
 OR {   27}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H4B ))
 OR {   27}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 40   and name H4B ))
 ASSI {   28}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 40   and name H3B ))
      3.400     1.500     1.500 peak    28 spectrum    1 weight  0.10000E+01 volume  0.15067E-02 ppm1      0.901 ppm2      1.221 CV     1
 OR {   28}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 40   and name H3A ))
 OR {   28}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 40   and name H3B ))
 OR {   28}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H3B ))
 OR {   28}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 40   and name H3A ))
 ASSI {  122}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H2B ))
      3.800     1.800     1.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.49079E-03 ppm1      4.462 ppm2      2.465 CV     1
 OR {  122}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H2A ))
 OR {  122}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 40   and name H2A ))
 OR {  122}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {    2}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 50   and name HA  ))
      2.900     1.100     1.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.17909E-02 ppm1      7.457 ppm2      3.934 CV     1
 OR {    2}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 7    and name HA  ))
 ASSI {    3}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 50   and name HB% )
      2.700     0.900     0.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.25616E-02 ppm1      7.455 ppm2      1.507 CV     1
 OR {    3}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 7    and name HG11))
 ASSI {    5}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 7    and name HD1%)
      2.600     0.900     0.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.23455E-02 ppm1      7.457 ppm2      0.541 CV     1
 OR {    5}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 76   and name HG2%)
 OR {    5}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 7    and name HG2%)
 OR {    5}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 76   and name HD1%)
 ASSI {   10}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 76   and name HG12))
      3.200     1.200     1.200 peak    10 spectrum    1 weight  0.10000E+01 volume  0.14392E-02 ppm1      6.821 ppm2      0.913 CV     1
 OR {   10}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 56   and name HG2%)
 OR {   10}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 56   and name HG1%)
 ASSI {   11}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 58   and name HD1%)
      2.800     1.000     1.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.34179E-02 ppm1      6.817 ppm2      0.606 CV     1
 OR {   11}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 66   and name HD2%)
 OR {   11}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 76   and name HD1%)
 OR {   11}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 40   and name H8% )
 ASSI {   20}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 58   and name HD1%)
      2.400     2.400     3.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.23422E-02 ppm1      6.533 ppm2      0.600 CV     1
 OR {   20}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 66   and name HD2%)
 OR {   20}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 40   and name H8% )
 ASSI {   23}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 56   and name HG2%)
      2.300     2.300     3.700 peak    23 spectrum    1 weight  0.10000E+01 volume  0.27179E-02 ppm1      6.536 ppm2      0.928 CV     1
 OR {   23}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 56   and name HG1%)
 OR {   23}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 76   and name HG12))
 ASSI {   27}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 7    and name HA  ))
      2.400     0.700     0.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.32005E-02 ppm1      7.122 ppm2      3.888 CV     1
 OR {   27}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 10   and name HA2 ))
 ASSI {   28}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 50   and name HB% )
      3.200     1.300     1.300 peak    28 spectrum    1 weight  0.10000E+01 volume  0.92391E-03 ppm1      7.124 ppm2      1.523 CV     1
 OR {   28}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 2    and name HB% )
 OR {   28}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 7    and name HG11))
 ASSI {   30}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 7    and name HG2%)
      3.300     1.300     1.300 peak    30 spectrum    1 weight  0.10000E+01 volume  0.10872E-02 ppm1      7.127 ppm2      0.558 CV     1
 OR {   30}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 7    and name HD1%)
 OR {   30}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 76   and name HD1%)
 OR {   30}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 76   and name HG2%)
 ASSI {   31}
   (( segid "    " and resid 54   and name HZ  ))
   (( segid "    " and resid 10   and name HA2 ))
      3.500     1.500     1.500 peak    31 spectrum    1 weight  0.10000E+01 volume  0.19925E-02 ppm1      7.455 ppm2      3.883 CV     1
 OR {   31}
   (( segid "    " and resid 54   and name HZ  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {   35}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 36   and name HD1%)
      3.500     1.500     1.500 peak    35 spectrum    1 weight  0.10000E+01 volume  0.10129E-02 ppm1      7.183 ppm2      0.585 CV     1
 OR {   35}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 40   and name H8% )
 ASSI {   36}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 46   and name HG2%)
      3.400     1.400     1.400 peak    36 spectrum    1 weight  0.10000E+01 volume  0.16441E-02 ppm1      7.187 ppm2      0.947 CV     1
 OR {   36}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H7A ))
 OR {   36}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 38   and name HG1%)
 OR {   36}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 66   and name HB2 ))
 OR {   36}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H7B ))
 OR {   36}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 OR {   36}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 26   and name HG2%)
 OR {   36}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 47   and name HG2%)
 ASSI {   37}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 67   and name HA  ))
      3.700     1.700     1.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.68237E-03 ppm1      7.184 ppm2      4.463 CV     1
 OR {   37}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 66   and name HA  ))
 ASSI {   41}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 69   and name HA  ))
      3.000     1.100     1.100 peak    41 spectrum    1 weight  0.10000E+01 volume  0.12566E-02 ppm1      6.981 ppm2      3.406 CV     1
 OR {   41}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 8    and name HA  ))
 ASSI {   43}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H6B ))
      3.200     1.200     1.200 peak    43 spectrum    1 weight  0.10000E+01 volume  0.15791E-02 ppm1      6.978 ppm2      0.666 CV     1
 OR {   43}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H5A ))
 OR {   43}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 46   and name HG1%)
 OR {   43}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H5B ))
 OR {   43}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H6A ))
 OR {   43}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 69   and name HG2%)
 ASSI {   44}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 15   and name HG2%)
      3.100     1.200     1.200 peak    44 spectrum    1 weight  0.10000E+01 volume  0.11124E-02 ppm1      6.984 ppm2      1.177 CV     1
 OR {   44}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H3A ))
 OR {   44}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H3B ))
 ASSI {   47}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 69   and name HA  ))
      3.800     1.800     1.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.86779E-03 ppm1      6.863 ppm2      3.413 CV     1
 OR {   47}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {   48}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 11   and name HD1%)
      3.100     1.200     1.200 peak    48 spectrum    1 weight  0.10000E+01 volume  0.93941E-03 ppm1      6.862 ppm2      0.885 CV     1
 OR {   48}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {   48}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H7A ))
 OR {   48}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H7B ))


 ASSI {    2}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 66   and name HD1%)
      2.700     0.900     0.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.20784E-02 ppm1      4.095 ppm2      0.403 CV     1
 ASSI {    4}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 72   and name HB% )
      2.400     0.700     0.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.43425E-02 ppm1      4.100 ppm2      1.606 CV     1
 ASSI {    6}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 73   and name HA  ))
      3.500     1.500     1.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.10401E-02 ppm1      1.600 ppm2      3.681 CV     1
 ASSI {    7}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 69   and name HA  ))
      2.900     1.000     1.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.15561E-02 ppm1      1.598 ppm2      3.415 CV     1
 ASSI {    8}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H4B ))
      3.100     1.200     1.200 peak     8 spectrum    1 weight  0.10000E+01 volume  0.14932E-02 ppm1      1.605 ppm2      0.747 CV     1
 OR {    8}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H4A ))
 ASSI {    9}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 40   and name H8% )
      2.600     0.800     0.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.39011E-02 ppm1      1.601 ppm2      0.622 CV     1
 ASSI {   10}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 66   and name HD1%)
      3.000     1.100     1.100 peak    10 spectrum    1 weight  0.10000E+01 volume  0.12726E-02 ppm1      1.602 ppm2      0.427 CV     1
 ASSI {   12}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 73   and name HN  ))
      2.900     1.000     1.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.19023E-02 ppm1      1.601 ppm2      8.647 CV     1
 ASSI {   15}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 32   and name HE% )
      2.900     1.100     1.100 peak    15 spectrum    1 weight  0.10000E+01 volume  0.18164E-02 ppm1      1.605 ppm2      6.990 CV     1
 ASSI {   18}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      3.200     1.300     1.300 peak    18 spectrum    1 weight  0.10000E+01 volume  0.25768E-02 ppm1      0.827 ppm2      4.331 CV     1
 ASSI {   20}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak    20 spectrum    1 weight  0.10000E+01 volume  0.14888E-02 ppm1      4.307 ppm2      6.467 CV     1
 ASSI {   23}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HD1 ))
      2.000     0.500     0.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.61452E-02 ppm1      4.310 ppm2      4.036 CV     1
 ASSI {   24}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HD2 ))
      2.900     1.000     1.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.31943E-02 ppm1      4.311 ppm2      3.691 CV     1
 ASSI {   25}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 15   and name HB  ))
      2.900     1.100     1.100 peak    25 spectrum    1 weight  0.10000E+01 volume  0.75805E-03 ppm1      0.822 ppm2      2.250 CV     1
 ASSI {   28}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.000     1.100     1.100 peak    28 spectrum    1 weight  0.10000E+01 volume  0.23763E-02 ppm1      4.312 ppm2      2.484 CV     1
 ASSI {   29}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HG12))
      2.100     0.600     0.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.60312E-02 ppm1      0.829 ppm2      1.301 CV     1
 OR {   29}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HG11))
 ASSI {   30}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.800     1.000     1.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.22832E-02 ppm1      4.316 ppm2      8.668 CV     1
 ASSI {   33}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 24   and name HN  ))
      4.200     2.200     1.800 peak    33 spectrum    1 weight  0.10000E+01 volume  0.40077E-03 ppm1      0.817 ppm2      9.241 CV     1
 ASSI {   36}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H7A ))
      2.500     2.500     3.500 peak    36 spectrum    1 weight  0.10000E+01 volume  0.40651E-02 ppm1      1.601 ppm2      0.925 CV     1
 OR {   36}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H7B ))
 ASSI {   37}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      2.300     0.700     0.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.53326E-02 ppm1      4.043 ppm2      1.678 CV     1
 ASSI {   41}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      3.300     3.300     2.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.34332E-02 ppm1      4.040 ppm2      0.728 CV     1
 ASSI {   43}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.400     0.700     0.700 peak    43 spectrum    1 weight  0.10000E+01 volume  0.22298E-02 ppm1      4.038 ppm2      2.243 CV     1
 ASSI {   44}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     0.900     0.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.18984E-02 ppm1      4.044 ppm2      8.922 CV     1
 ASSI {   45}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak    45 spectrum    1 weight  0.10000E+01 volume  0.75910E-03 ppm1      4.048 ppm2      8.791 CV     1
 ASSI {   47}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.400     1.400 peak    47 spectrum    1 weight  0.10000E+01 volume  0.77707E-03 ppm1      4.048 ppm2      7.937 CV     1
 ASSI {   50}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak    50 spectrum    1 weight  0.10000E+01 volume  0.51077E-02 ppm1      1.676 ppm2      8.924 CV     1
 ASSI {   52}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HA  ))
      3.500     1.500     1.500 peak    52 spectrum    1 weight  0.10000E+01 volume  0.26248E-02 ppm1      1.676 ppm2      4.214 CV     1
 ASSI {   53}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      3.900     1.900     1.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.22306E-02 ppm1      1.675 ppm2      3.607 CV     1
 ASSI {   59}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HN  ))
      2.700     0.900     0.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.24725E-02 ppm1      1.560 ppm2      8.842 CV     1
 ASSI {   60}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HN  ))
      2.700     0.900     0.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.26444E-02 ppm1      1.559 ppm2      8.556 CV     1
 ASSI {   62}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.13952E-01 ppm1      4.821 ppm2      1.547 CV     1
 ASSI {   64}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 54   and name HD% )
      3.500     1.500     1.500 peak    64 spectrum    1 weight  0.10000E+01 volume  0.12692E-02 ppm1      1.558 ppm2      7.465 CV     1
 ASSI {   65}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 54   and name HE% )
      4.100     2.100     1.900 peak    65 spectrum    1 weight  0.10000E+01 volume  0.84718E-03 ppm1      1.564 ppm2      7.121 CV     1
 ASSI {   66}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HB1 ))
      3.000     1.100     1.100 peak    66 spectrum    1 weight  0.10000E+01 volume  0.22423E-02 ppm1      1.562 ppm2      2.487 CV     1
 ASSI {   67}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HG2 ))
      4.400     2.500     1.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.91545E-03 ppm1      1.564 ppm2      2.363 CV     1
 ASSI {   69}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 7    and name HG12))
      2.900     1.000     1.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.15316E-02 ppm1      1.566 ppm2      0.264 CV     1
 ASSI {   70}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 7    and name HA  ))
      3.700     1.700     1.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.72283E-03 ppm1      1.561 ppm2      3.887 CV     1
 ASSI {   71}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HB2 ))
      2.600     0.800     0.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.20693E-02 ppm1      1.560 ppm2      2.097 CV     1
 ASSI {   72}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 7    and name HN  ))
      3.400     1.500     1.500 peak    72 spectrum    1 weight  0.10000E+01 volume  0.14634E-02 ppm1      1.559 ppm2      8.422 CV     1
 ASSI {   73}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.900     1.000     1.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.35577E-02 ppm1      4.019 ppm2      8.841 CV     1
 ASSI {   75}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 1    and name HB% )
      2.600     0.800     0.800 peak    75 spectrum    1 weight  0.10000E+01 volume  0.39712E-02 ppm1      4.016 ppm2      1.509 CV     1
 ASSI {   77}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HG1 ))
      3.700     1.700     1.700 peak    77 spectrum    1 weight  0.10000E+01 volume  0.12835E-02 ppm1      1.506 ppm2      2.701 CV     1
 ASSI {   79}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HN  ))
      3.300     1.400     1.400 peak    79 spectrum    1 weight  0.10000E+01 volume  0.39345E-02 ppm1      1.508 ppm2      7.778 CV     1
 ASSI {   80}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HE21))
      3.500     1.500     1.500 peak    80 spectrum    1 weight  0.10000E+01 volume  0.12180E-02 ppm1      1.503 ppm2      7.647 CV     1
 ASSI {   81}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HA  ))
      3.600     1.700     1.700 peak    81 spectrum    1 weight  0.10000E+01 volume  0.97639E-03 ppm1      4.015 ppm2      4.804 CV     1
 ASSI {   83}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      2.600     0.900     0.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.45234E-02 ppm1      4.430 ppm2      4.716 CV     1
 ASSI {   84}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.800     0.900     0.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.15276E-02 ppm1      4.430 ppm2      8.558 CV     1
 ASSI {   85}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      4.300     2.300     1.700 peak    85 spectrum    1 weight  0.10000E+01 volume  0.53330E-03 ppm1      4.433 ppm2      8.873 CV     1
 ASSI {   86}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.300     0.700     0.700 peak    86 spectrum    1 weight  0.10000E+01 volume  0.48648E-02 ppm1      4.431 ppm2      9.242 CV     1
 ASSI {   87}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.000     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.16080E-02 ppm1      4.715 ppm2      8.856 CV     1
 ASSI {   88}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      3.000     1.100     1.100 peak    88 spectrum    1 weight  0.10000E+01 volume  0.29133E-02 ppm1      4.710 ppm2      9.243 CV     1
 ASSI {   89}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.13341E-02 ppm1      1.354 ppm2      9.240 CV     1
 ASSI {   90}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      3.500     1.500     1.500 peak    90 spectrum    1 weight  0.10000E+01 volume  0.96613E-03 ppm1      1.351 ppm2      8.880 CV     1
 ASSI {   91}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      3.100     1.200     1.200 peak    91 spectrum    1 weight  0.10000E+01 volume  0.43404E-02 ppm1      1.353 ppm2      8.554 CV     1
 ASSI {   92}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
      3.900     1.900     1.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.16706E-02 ppm1      1.352 ppm2      4.836 CV     1
 ASSI {   93}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HB  ))
      2.300     0.700     0.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.55211E-02 ppm1      1.353 ppm2      4.712 CV     1
 ASSI {   94}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HA  ))
      2.500     0.800     0.800 peak    94 spectrum    1 weight  0.10000E+01 volume  0.47697E-02 ppm1      1.354 ppm2      4.436 CV     1
 ASSI {   96}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HG1 ))
      3.600     1.700     1.700 peak    96 spectrum    1 weight  0.10000E+01 volume  0.55320E-03 ppm1      1.352 ppm2      4.953 CV     1
 ASSI {   97}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HG1 ))
      3.000     1.200     1.200 peak    97 spectrum    1 weight  0.10000E+01 volume  0.14351E-02 ppm1      4.717 ppm2      4.928 CV     1
 ASSI {   98}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 2    and name HA  ))
      3.600     1.600     1.600 peak    98 spectrum    1 weight  0.10000E+01 volume  0.19180E-02 ppm1      4.716 ppm2      4.836 CV     1
 ASSI {  101}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      3.300     1.300     1.300 peak   101 spectrum    1 weight  0.10000E+01 volume  0.13364E-02 ppm1      4.432 ppm2      0.816 CV     1
 OR {  101}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  102}
   (  segid "    " and resid 3    and name HG2%)
   (  segid "    " and resid 73   and name HG2%)
      2.900     2.900     3.100 peak   102 spectrum    1 weight  0.10000E+01 volume  0.14041E-01 ppm1      1.345 ppm2      1.113 CV     1
 ASSI {  103}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      4.500     2.500     1.500 peak   103 spectrum    1 weight  0.10000E+01 volume  0.63072E-03 ppm1      1.353 ppm2      7.679 CV     1
 ASSI {  104}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.16776E-02 ppm1      3.697 ppm2      9.245 CV     1
 ASSI {  109}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      3.000     1.100     1.100 peak   109 spectrum    1 weight  0.10000E+01 volume  0.16763E-02 ppm1      3.701 ppm2      1.101 CV     1
 ASSI {  111}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      3.400     1.400     1.400 peak   111 spectrum    1 weight  0.10000E+01 volume  0.24483E-02 ppm1      3.698 ppm2      0.531 CV     1
 OR {  111}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  112}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.17159E-02 ppm1      3.697 ppm2      2.032 CV     1
 ASSI {  113}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
      2.600     0.800     0.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.16487E-02 ppm1      3.701 ppm2      1.791 CV     1
 ASSI {  114}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.600     0.800     0.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.47643E-02 ppm1      3.697 ppm2      2.174 CV     1
 OR {  114}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {  120}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.500     1.500     1.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.10121E-02 ppm1      2.167 ppm2      3.696 CV     1
 ASSI {  121}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.26893E-02 ppm1      3.925 ppm2      8.866 CV     1
 ASSI {  123}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG1 ))
      3.100     1.200     1.200 peak   123 spectrum    1 weight  0.10000E+01 volume  0.16498E-02 ppm1      3.916 ppm2      2.460 CV     1
 ASSI {  125}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.800     1.000     1.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.32668E-02 ppm1      3.924 ppm2      2.069 CV     1
 ASSI {  127}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      3.100     1.200     1.200 peak   127 spectrum    1 weight  0.10000E+01 volume  0.18908E-02 ppm1      3.922 ppm2      1.017 CV     1
 ASSI {  130}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      3.300     1.400     1.400 peak   130 spectrum    1 weight  0.10000E+01 volume  0.12047E-02 ppm1      3.928 ppm2      7.705 CV     1
 ASSI {  134}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HN  ))
      3.700     1.700     1.700 peak   134 spectrum    1 weight  0.10000E+01 volume  0.14317E-02 ppm1      2.293 ppm2      8.863 CV     1
 ASSI {  137}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HA  ))
      3.100     1.200     1.200 peak   137 spectrum    1 weight  0.10000E+01 volume  0.28775E-02 ppm1      2.290 ppm2      3.936 CV     1
 ASSI {  138}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      2.700     0.900     0.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.33566E-02 ppm1      4.131 ppm2      1.512 CV     1
 ASSI {  139}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.100     1.200     1.200 peak   139 spectrum    1 weight  0.10000E+01 volume  0.14152E-02 ppm1      4.118 ppm2      8.395 CV     1
 ASSI {  148}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      3.800     1.800     1.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.14855E-02 ppm1      0.554 ppm2      8.400 CV     1
 ASSI {  150}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 54   and name HD% )
      3.900     1.900     1.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.51810E-03 ppm1      0.553 ppm2      7.462 CV     1
 OR {  150}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 54   and name HZ  ))
 ASSI {  151}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 54   and name HE% )
      3.300     1.300     1.300 peak   151 spectrum    1 weight  0.10000E+01 volume  0.74038E-03 ppm1      0.552 ppm2      7.126 CV     1
 ASSI {  155}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   155 spectrum    1 weight  0.10000E+01 volume  0.60836E-03 ppm1      0.551 ppm2      3.372 CV     1
 ASSI {  159}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HG11))
      2.600     0.900     0.900 peak   159 spectrum    1 weight  0.10000E+01 volume  0.19687E-02 ppm1      0.551 ppm2      1.543 CV     1
 ASSI {  160}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HG12))
      3.500     1.600     1.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.18275E-02 ppm1      0.553 ppm2      0.246 CV     1
 ASSI {  161}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 73   and name HG2%)
      2.700     0.900     0.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.23343E-02 ppm1      0.551 ppm2      1.096 CV     1
 ASSI {  164}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.500     0.800     0.800 peak   164 spectrum    1 weight  0.10000E+01 volume  0.24583E-02 ppm1      3.883 ppm2      8.400 CV     1
 ASSI {  165}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 54   and name HD% )
      3.400     1.500     1.500 peak   165 spectrum    1 weight  0.10000E+01 volume  0.14643E-02 ppm1      3.889 ppm2      7.464 CV     1
 OR {  165}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 54   and name HZ  ))
 ASSI {  166}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 54   and name HE% )
      2.600     0.800     0.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.15104E-02 ppm1      3.881 ppm2      7.126 CV     1
 ASSI {  168}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG11))
      3.500     1.500     1.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.17741E-02 ppm1      3.876 ppm2      1.548 CV     1
 ASSI {  170}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      2.600     0.800     0.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.30741E-02 ppm1      3.880 ppm2      0.547 CV     1
 ASSI {  171}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG12))
      2.800     1.000     1.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.15829E-02 ppm1      3.888 ppm2      0.256 CV     1
 ASSI {  172}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      2.400     0.700     0.700 peak   172 spectrum    1 weight  0.10000E+01 volume  0.27035E-02 ppm1      1.783 ppm2      8.401 CV     1
 ASSI {  174}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak   174 spectrum    1 weight  0.10000E+01 volume  0.10764E-02 ppm1      1.789 ppm2      3.904 CV     1
 ASSI {  175}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
      2.000     0.500     0.500 peak   175 spectrum    1 weight  0.10000E+01 volume  0.67805E-02 ppm1      1.782 ppm2      0.538 CV     1
 ASSI {  178}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HG11))
      2.700     0.900     0.900 peak   178 spectrum    1 weight  0.10000E+01 volume  0.11980E-02 ppm1      1.792 ppm2      1.966 CV     1
 ASSI {  179}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HG11))
      2.700     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.13317E-02 ppm1      1.798 ppm2      1.548 CV     1
 ASSI {  184}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
      4.400     2.400     1.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.11137E-02 ppm1      0.526 ppm2      1.099 CV     1
 ASSI {  188}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
      2.700     2.700     3.300 peak   188 spectrum    1 weight  0.10000E+01 volume  0.10140E-02 ppm1      0.528 ppm2      7.670 CV     1
 ASSI {  189}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 54   and name HD% )
      3.100     1.200     1.200 peak   189 spectrum    1 weight  0.10000E+01 volume  0.66771E-03 ppm1      0.524 ppm2      7.454 CV     1
 OR {  189}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 54   and name HZ  ))
 ASSI {  200}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      2.200     0.600     0.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.54189E-02 ppm1      1.034 ppm2      8.387 CV     1
 ASSI {  201}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      4.500     2.500     1.500 peak   201 spectrum    1 weight  0.10000E+01 volume  0.70616E-03 ppm1      1.037 ppm2      7.742 CV     1
 ASSI {  202}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 8    and name HN  ))
      3.800     1.900     1.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.18498E-02 ppm1      0.889 ppm2      8.387 CV     1
 ASSI {  205}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.200     1.300     1.300 peak   205 spectrum    1 weight  0.10000E+01 volume  0.87901E-03 ppm1      3.367 ppm2      7.730 CV     1
 ASSI {  206}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.39322E-02 ppm1      0.889 ppm2      3.375 CV     1
 ASSI {  208}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.40096E-02 ppm1      1.033 ppm2      3.374 CV     1
 ASSI {  212}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
      2.900     1.000     1.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.16697E-02 ppm1      3.371 ppm2      2.008 CV     1
 ASSI {  220}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      3.200     1.300     1.300 peak   220 spectrum    1 weight  0.10000E+01 volume  0.20082E-02 ppm1      1.033 ppm2      1.772 CV     1
 ASSI {  221}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HG2 ))
      3.100     1.200     1.200 peak   221 spectrum    1 weight  0.10000E+01 volume  0.20768E-02 ppm1      1.033 ppm2      2.158 CV     1
 OR {  221}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  222}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HB  ))
      2.300     0.600     0.600 peak   222 spectrum    1 weight  0.10000E+01 volume  0.55203E-02 ppm1      1.036 ppm2      2.013 CV     1
 ASSI {  224}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 69   and name HG2%)
      2.900     1.000     1.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.22329E-02 ppm1      1.037 ppm2      0.647 CV     1
 ASSI {  226}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
      3.500     1.500     1.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.11521E-02 ppm1      1.030 ppm2      0.543 CV     1
 OR {  226}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  231}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 9    and name HA  ))
      2.100     0.500     0.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.14783E-01 ppm1      1.512 ppm2      4.225 CV     1
 ASSI {  235}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.900     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.38937E-02 ppm1      1.509 ppm2      8.395 CV     1
 ASSI {  237}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.300     1.300 peak   237 spectrum    1 weight  0.10000E+01 volume  0.12151E-02 ppm1      4.223 ppm2      8.789 CV     1
 ASSI {  240}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.25630E-02 ppm1      4.042 ppm2      8.392 CV     1
 ASSI {  241}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   241 spectrum    1 weight  0.10000E+01 volume  0.10414E-02 ppm1      4.050 ppm2      9.236 CV     1
 ASSI {  245}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 54   and name HZ  ))
      3.100     1.200     1.200 peak   245 spectrum    1 weight  0.10000E+01 volume  0.81665E-03 ppm1      4.054 ppm2      7.473 CV     1
 OR {  245}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 54   and name HD% )
 ASSI {  246}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 54   and name HZ  ))
      4.200     2.200     1.800 peak   246 spectrum    1 weight  0.10000E+01 volume  0.89199E-03 ppm1      3.855 ppm2      7.466 CV     1
 OR {  246}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 54   and name HD% )
 ASSI {  248}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 13   and name HG2 ))
      4.400     2.400     1.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.12229E-02 ppm1      4.049 ppm2      2.274 CV     1
 OR {  248}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  249}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.000     1.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.14343E-02 ppm1      4.244 ppm2      9.232 CV     1
 ASSI {  250}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.800     1.800     1.800 peak   250 spectrum    1 weight  0.10000E+01 volume  0.44438E-03 ppm1      4.240 ppm2      8.794 CV     1
 ASSI {  251}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak   251 spectrum    1 weight  0.10000E+01 volume  0.93195E-03 ppm1      4.239 ppm2      8.162 CV     1
 ASSI {  254}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      3.700     1.700     1.700 peak   254 spectrum    1 weight  0.10000E+01 volume  0.17847E-02 ppm1      0.845 ppm2      9.235 CV     1
 ASSI {  256}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HN  ))
      3.900     1.900     1.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.79382E-03 ppm1      0.850 ppm2      8.172 CV     1
 ASSI {  257}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      4.500     2.500     1.500 peak   257 spectrum    1 weight  0.10000E+01 volume  0.78544E-03 ppm1      0.844 ppm2      4.254 CV     1
 ASSI {  259}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HA  ))
      3.600     1.600     1.600 peak   259 spectrum    1 weight  0.10000E+01 volume  0.99930E-03 ppm1      0.843 ppm2      3.901 CV     1
 ASSI {  261}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.12459E-02 ppm1      0.840 ppm2      3.380 CV     1
 ASSI {  262}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HD1 ))
      3.500     1.500     1.500 peak   262 spectrum    1 weight  0.10000E+01 volume  0.55776E-03 ppm1      0.836 ppm2      2.879 CV     1
 ASSI {  263}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HD2 ))
      3.000     1.100     1.100 peak   263 spectrum    1 weight  0.10000E+01 volume  0.99750E-03 ppm1      0.840 ppm2      2.691 CV     1
 ASSI {  264}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HB1 ))
      2.700     0.900     0.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.27808E-02 ppm1      0.845 ppm2      2.111 CV     1
 ASSI {  265}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HG  ))
      2.000     0.500     0.500 peak   265 spectrum    1 weight  0.10000E+01 volume  0.10285E-01 ppm1      0.844 ppm2      1.986 CV     1
 ASSI {  266}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.000     1.100     1.100 peak   266 spectrum    1 weight  0.10000E+01 volume  0.21001E-02 ppm1      4.239 ppm2      1.276 CV     1
 ASSI {  268}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      4.500     2.500     1.500 peak   268 spectrum    1 weight  0.10000E+01 volume  0.79880E-03 ppm1      2.112 ppm2      3.372 CV     1
 ASSI {  271}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      2.200     0.600     0.600 peak   271 spectrum    1 weight  0.10000E+01 volume  0.61628E-02 ppm1      0.880 ppm2      4.244 CV     1
 ASSI {  272}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 63   and name HA  ))
      2.600     0.800     0.800 peak   272 spectrum    1 weight  0.10000E+01 volume  0.36487E-02 ppm1      0.884 ppm2      3.230 CV     1
 ASSI {  273}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 54   and name HE% )
      2.600     0.800     0.800 peak   273 spectrum    1 weight  0.10000E+01 volume  0.23180E-02 ppm1      0.880 ppm2      7.126 CV     1
 ASSI {  274}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      3.600     1.600     1.600 peak   274 spectrum    1 weight  0.10000E+01 volume  0.18429E-02 ppm1      0.882 ppm2      7.005 CV     1
 ASSI {  275}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 32   and name HZ  ))
      2.900     1.100     1.100 peak   275 spectrum    1 weight  0.10000E+01 volume  0.15370E-02 ppm1      0.882 ppm2      6.869 CV     1
 ASSI {  276}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 63   and name HN  ))
      2.500     0.800     0.800 peak   276 spectrum    1 weight  0.10000E+01 volume  0.36302E-02 ppm1      0.884 ppm2      7.617 CV     1
 ASSI {  277}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 62   and name HN  ))
      3.500     1.500     1.500 peak   277 spectrum    1 weight  0.10000E+01 volume  0.18962E-02 ppm1      0.882 ppm2      7.473 CV     1
 ASSI {  278}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      3.500     1.600     1.600 peak   278 spectrum    1 weight  0.10000E+01 volume  0.22358E-02 ppm1      0.884 ppm2      9.228 CV     1
 ASSI {  279}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HB1 ))
      2.500     0.800     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.31890E-02 ppm1      0.879 ppm2      2.108 CV     1
 ASSI {  280}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HG  ))
      2.000     0.500     0.500 peak   280 spectrum    1 weight  0.10000E+01 volume  0.87855E-02 ppm1      0.881 ppm2      1.980 CV     1
 ASSI {  281}
   (  segid "    " and resid 63   and name HG2%)
   (  segid "    " and resid 58   and name HG2%)
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.42725E-02 ppm1      0.884 ppm2      0.343 CV     1
 ASSI {  283}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.900     0.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.35010E-02 ppm1      3.936 ppm2      7.945 CV     1
 ASSI {  288}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG1 ))
      3.800     1.800     1.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.11736E-02 ppm1      3.932 ppm2      2.600 CV     1
 ASSI {  292}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      2.700     0.900     0.900 peak   292 spectrum    1 weight  0.10000E+01 volume  0.34512E-02 ppm1      3.929 ppm2      0.817 CV     1
 OR {  292}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  294}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.14959E-02 ppm1      2.292 ppm2      7.937 CV     1
 ASSI {  296}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.800     1.000     1.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.18328E-02 ppm1      3.809 ppm2      8.169 CV     1
 ASSI {  304}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      3.800     3.800     2.200 peak   304 spectrum    1 weight  0.10000E+01 volume  0.13221E-02 ppm1      3.815 ppm2      2.253 CV     1
 ASSI {  305}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      2.900     1.000     1.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.19715E-02 ppm1      3.810 ppm2      2.102 CV     1
 ASSI {  306}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      2.500     0.800     0.800 peak   306 spectrum    1 weight  0.10000E+01 volume  0.53230E-02 ppm1      3.812 ppm2      1.051 CV     1
 OR {  306}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  307}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      3.900     1.900     1.900 peak   307 spectrum    1 weight  0.10000E+01 volume  0.11965E-02 ppm1      3.807 ppm2      0.735 CV     1
 ASSI {  309}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 14   and name HA  ))
      4.000     2.000     2.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.10030E-02 ppm1      1.049 ppm2      3.812 CV     1
 ASSI {  312}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.16972E-02 ppm1      0.729 ppm2      8.174 CV     1
 ASSI {  313}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      4.400     2.400     1.600 peak   313 spectrum    1 weight  0.10000E+01 volume  0.45641E-03 ppm1      0.724 ppm2      8.913 CV     1
 ASSI {  314}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      4.000     2.000     2.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.12711E-02 ppm1      0.729 ppm2      8.786 CV     1
 ASSI {  315}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.18423E-02 ppm1      1.052 ppm2      8.792 CV     1
 ASSI {  316}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      4.400     2.500     1.600 peak   316 spectrum    1 weight  0.10000E+01 volume  0.10177E-02 ppm1      1.051 ppm2      7.925 CV     1
 ASSI {  317}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak   317 spectrum    1 weight  0.10000E+01 volume  0.31455E-02 ppm1      1.049 ppm2      3.815 CV     1
 ASSI {  318}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.80722E-03 ppm1      1.051 ppm2      3.577 CV     1
 ASSI {  319}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      2.400     0.700     0.700 peak   319 spectrum    1 weight  0.10000E+01 volume  0.32164E-02 ppm1      1.050 ppm2      3.422 CV     1
 ASSI {  320}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
      4.200     2.200     1.800 peak   320 spectrum    1 weight  0.10000E+01 volume  0.99578E-03 ppm1      1.049 ppm2      3.943 CV     1
 ASSI {  323}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
      3.400     1.500     1.500 peak   323 spectrum    1 weight  0.10000E+01 volume  0.33243E-02 ppm1      0.729 ppm2      3.944 CV     1
 ASSI {  324}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.600     1.600     1.600 peak   324 spectrum    1 weight  0.10000E+01 volume  0.21526E-02 ppm1      1.051 ppm2      8.172 CV     1
 ASSI {  325}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      3.200     1.200     1.200 peak   325 spectrum    1 weight  0.10000E+01 volume  0.84387E-03 ppm1      0.729 ppm2      7.130 CV     1
 ASSI {  326}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 53   and name HD1 ))
      3.700     1.700     1.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.88835E-03 ppm1      0.729 ppm2      2.870 CV     1
 ASSI {  328}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
      3.800     1.800     1.800 peak   328 spectrum    1 weight  0.10000E+01 volume  0.14944E-02 ppm1      1.048 ppm2      2.245 CV     1
 ASSI {  329}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HB  ))
      2.200     0.600     0.600 peak   329 spectrum    1 weight  0.10000E+01 volume  0.49356E-02 ppm1      1.049 ppm2      2.091 CV     1
 ASSI {  332}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB  ))
      2.500     0.800     0.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.28748E-02 ppm1      0.728 ppm2      2.091 CV     1
 ASSI {  333}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 14   and name HG2%)
      2.800     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.93241E-02 ppm1      0.727 ppm2      1.052 CV     1
 ASSI {  334}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
      2.200     0.600     0.600 peak   334 spectrum    1 weight  0.10000E+01 volume  0.78314E-02 ppm1      1.045 ppm2      1.513 CV     1
 ASSI {  335}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.200     0.600     0.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.47894E-02 ppm1      1.166 ppm2      8.798 CV     1
 ASSI {  336}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak   336 spectrum    1 weight  0.10000E+01 volume  0.22079E-02 ppm1      3.591 ppm2      8.799 CV     1
 ASSI {  339}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 32   and name HE% )
      2.700     0.900     0.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.20101E-02 ppm1      1.168 ppm2      6.987 CV     1
 ASSI {  340}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 32   and name HD% )
      3.100     1.200     1.200 peak   340 spectrum    1 weight  0.10000E+01 volume  0.89216E-03 ppm1      1.163 ppm2      7.182 CV     1
 ASSI {  342}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.20910E-02 ppm1      1.166 ppm2      4.047 CV     1
 ASSI {  344}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.42039E-02 ppm1      1.165 ppm2      3.598 CV     1
 ASSI {  346}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      4.200     2.200     1.800 peak   346 spectrum    1 weight  0.10000E+01 volume  0.70130E-03 ppm1      1.166 ppm2      8.178 CV     1
 ASSI {  347}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.10711E-02 ppm1      3.595 ppm2      8.206 CV     1
 ASSI {  348}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   348 spectrum    1 weight  0.10000E+01 volume  0.36612E-02 ppm1      0.998 ppm2      3.601 CV     1
 ASSI {  354}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 36   and name HD1%)
      3.000     1.100     1.100 peak   354 spectrum    1 weight  0.10000E+01 volume  0.17313E-02 ppm1      1.166 ppm2      0.597 CV     1
 ASSI {  355}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 69   and name HG1%)
      3.700     1.700     1.700 peak   355 spectrum    1 weight  0.10000E+01 volume  0.91172E-03 ppm1      1.161 ppm2      0.438 CV     1
 ASSI {  357}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
      3.900     1.900     1.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.14845E-02 ppm1      3.598 ppm2      4.043 CV     1
 ASSI {  361}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.000     1.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.17837E-02 ppm1      4.671 ppm2      8.697 CV     1
 ASSI {  362}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak   362 spectrum    1 weight  0.10000E+01 volume  0.29736E-02 ppm1      4.665 ppm2      6.469 CV     1
 ASSI {  363}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.900     1.000     1.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.25767E-02 ppm1      4.670 ppm2      3.102 CV     1
 ASSI {  365}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.800     1.000     1.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.14747E-02 ppm1      4.673 ppm2      2.742 CV     1
 ASSI {  366}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD22))
      3.600     1.600     1.600 peak   366 spectrum    1 weight  0.10000E+01 volume  0.17926E-02 ppm1      4.667 ppm2      8.066 CV     1
 ASSI {  367}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.24367E-02 ppm1      4.667 ppm2      7.836 CV     1
 ASSI {  369}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
      2.700     0.900     0.900 peak   369 spectrum    1 weight  0.10000E+01 volume  0.40720E-02 ppm1      4.665 ppm2      0.946 CV     1
 OR {  369}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI {  370}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB  ))
      2.500     0.800     0.800 peak   370 spectrum    1 weight  0.10000E+01 volume  0.33932E-02 ppm1      4.665 ppm2      2.001 CV     1
 ASSI {  373}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
      3.700     1.700     1.700 peak   373 spectrum    1 weight  0.10000E+01 volume  0.16689E-02 ppm1      2.283 ppm2      6.997 CV     1
 ASSI {  374}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.13023E-02 ppm1      2.151 ppm2      6.997 CV     1
 ASSI {  378}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.300     1.300 peak   378 spectrum    1 weight  0.10000E+01 volume  0.19755E-02 ppm1      2.277 ppm2      6.998 CV     1
 ASSI {  379}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.900     1.000     1.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.34923E-02 ppm1      4.057 ppm2      2.151 CV     1
 ASSI {  380}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      2.400     2.400     3.600 peak   380 spectrum    1 weight  0.10000E+01 volume  0.20439E-02 ppm1      4.058 ppm2      1.104 CV     1
 ASSI {  381}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
      3.000     1.100     1.100 peak   381 spectrum    1 weight  0.10000E+01 volume  0.20362E-02 ppm1      4.063 ppm2      0.973 CV     1
 ASSI {  382}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
      2.500     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.29801E-02 ppm1      2.287 ppm2      4.059 CV     1
 ASSI {  383}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.200     1.300     1.300 peak   383 spectrum    1 weight  0.10000E+01 volume  0.76701E-03 ppm1      2.143 ppm2      8.041 CV     1
 ASSI {  386}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 44   and name HG1%)
      3.400     1.400     1.400 peak   386 spectrum    1 weight  0.10000E+01 volume  0.14846E-02 ppm1      2.282 ppm2      0.972 CV     1
 ASSI {  387}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
      2.600     0.800     0.800 peak   387 spectrum    1 weight  0.10000E+01 volume  0.25612E-02 ppm1      3.411 ppm2      2.273 CV     1
 ASSI {  391}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      2.600     2.600     3.400 peak   391 spectrum    1 weight  0.10000E+01 volume  0.49871E-02 ppm1      0.977 ppm2      8.058 CV     1
 ASSI {  393}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      2.400     0.700     0.700 peak   393 spectrum    1 weight  0.10000E+01 volume  0.42139E-02 ppm1      0.976 ppm2      3.418 CV     1
 ASSI {  394}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 46   and name HN  ))
      3.200     1.300     1.300 peak   394 spectrum    1 weight  0.10000E+01 volume  0.13318E-02 ppm1      0.672 ppm2      8.056 CV     1
 ASSI {  395}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.19553E-02 ppm1      3.415 ppm2      8.060 CV     1
 ASSI {  396}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
      3.000     1.100     1.100 peak   396 spectrum    1 weight  0.10000E+01 volume  0.12989E-02 ppm1      0.673 ppm2      7.932 CV     1
 ASSI {  398}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 46   and name HA  ))
      2.600     0.800     0.800 peak   398 spectrum    1 weight  0.10000E+01 volume  0.38607E-02 ppm1      0.668 ppm2      3.421 CV     1
 ASSI {  400}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 15   and name HG2%)
      2.700     0.900     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.21638E-02 ppm1      0.670 ppm2      1.176 CV     1
 ASSI {  402}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.300     1.300 peak   402 spectrum    1 weight  0.10000E+01 volume  0.56384E-02 ppm1      0.912 ppm2      7.935 CV     1
 ASSI {  403}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB  ))
      2.900     1.000     1.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.11949E-02 ppm1      3.296 ppm2      2.223 CV     1
 ASSI {  404}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.800     1.000     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.17795E-02 ppm1      3.295 ppm2      1.488 CV     1
 ASSI {  405}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
      3.000     1.100     1.100 peak   405 spectrum    1 weight  0.10000E+01 volume  0.17791E-02 ppm1      3.300 ppm2      0.624 CV     1
 ASSI {  406}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     1.000     1.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.17344E-02 ppm1      3.297 ppm2      7.937 CV     1
 ASSI {  407}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.600     1.600     1.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.53707E-03 ppm1      3.301 ppm2      7.811 CV     1
 ASSI {  408}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.30034E-02 ppm1      2.217 ppm2      7.936 CV     1
 ASSI {  409}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      3.600     1.600     1.600 peak   409 spectrum    1 weight  0.10000E+01 volume  0.12171E-02 ppm1      0.911 ppm2      7.812 CV     1
 ASSI {  410}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
      2.500     0.800     0.800 peak   410 spectrum    1 weight  0.10000E+01 volume  0.44920E-02 ppm1      0.912 ppm2      3.306 CV     1
 ASSI {  411}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
      3.600     1.600     1.600 peak   411 spectrum    1 weight  0.10000E+01 volume  0.17775E-02 ppm1      0.908 ppm2      3.583 CV     1
 ASSI {  413}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak   413 spectrum    1 weight  0.10000E+01 volume  0.35026E-02 ppm1      0.856 ppm2      3.306 CV     1
 ASSI {  415}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 47   and name HB  ))
      2.200     0.600     0.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.55831E-02 ppm1      0.855 ppm2      2.216 CV     1
 ASSI {  419}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 44   and name HA  ))
      3.000     1.200     1.200 peak   419 spectrum    1 weight  0.10000E+01 volume  0.99654E-03 ppm1      0.851 ppm2      3.583 CV     1
 ASSI {  420}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 48   and name HA  ))
      3.100     1.200     1.200 peak   420 spectrum    1 weight  0.10000E+01 volume  0.19230E-02 ppm1      0.858 ppm2      3.936 CV     1
 ASSI {  421}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 48   and name HN  ))
      2.800     1.000     1.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.12554E-02 ppm1      0.851 ppm2      7.802 CV     1
 ASSI {  422}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.16578E-02 ppm1      0.855 ppm2      7.936 CV     1
 ASSI {  423}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.800     0.900     0.900 peak   423 spectrum    1 weight  0.10000E+01 volume  0.21966E-02 ppm1      3.921 ppm2      7.807 CV     1
 ASSI {  424}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.700     0.900     0.900 peak   424 spectrum    1 weight  0.10000E+01 volume  0.22996E-02 ppm1      3.931 ppm2      2.067 CV     1
 ASSI {  429}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.100     1.100 peak   429 spectrum    1 weight  0.10000E+01 volume  0.67110E-02 ppm1      1.104 ppm2      7.811 CV     1
 ASSI {  432}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak   432 spectrum    1 weight  0.10000E+01 volume  0.69154E-02 ppm1      1.106 ppm2      3.929 CV     1
 ASSI {  434}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
      3.100     1.200     1.200 peak   434 spectrum    1 weight  0.10000E+01 volume  0.73116E-03 ppm1      3.921 ppm2      2.814 CV     1
 ASSI {  435}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.300     1.400     1.400 peak   435 spectrum    1 weight  0.10000E+01 volume  0.11189E-02 ppm1      3.926 ppm2      8.843 CV     1
 ASSI {  436}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.59839E-02 ppm1      0.992 ppm2      3.936 CV     1
 ASSI {  437}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      3.300     3.300     2.700 peak   437 spectrum    1 weight  0.10000E+01 volume  0.35445E-02 ppm1      1.105 ppm2      4.053 CV     1
 ASSI {  445}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   445 spectrum    1 weight  0.10000E+01 volume  0.30201E-02 ppm1      4.229 ppm2      7.917 CV     1
 ASSI {  446}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 2    and name HN  ))
      2.500     0.800     0.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.41135E-02 ppm1      1.517 ppm2      8.807 CV     1
 ASSI {  447}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak   447 spectrum    1 weight  0.10000E+01 volume  0.22540E-02 ppm1      1.518 ppm2      3.422 CV     1
 ASSI {  450}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 14   and name HG2%)
      2.300     0.700     0.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.61569E-02 ppm1      1.521 ppm2      1.051 CV     1
 OR {  450}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 14   and name HG12))
 ASSI {  451}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 14   and name HD1%)
      3.100     1.200     1.200 peak   451 spectrum    1 weight  0.10000E+01 volume  0.36217E-02 ppm1      1.522 ppm2      0.746 CV     1
 ASSI {  452}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HB2 ))
      3.000     1.200     1.200 peak   452 spectrum    1 weight  0.10000E+01 volume  0.24122E-02 ppm1      1.512 ppm2      2.110 CV     1
 ASSI {  453}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 14   and name HG11))
      3.700     1.700     1.700 peak   453 spectrum    1 weight  0.10000E+01 volume  0.22210E-02 ppm1      1.514 ppm2      1.965 CV     1
 ASSI {  457}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.900     1.100     1.100 peak   457 spectrum    1 weight  0.10000E+01 volume  0.13480E-02 ppm1      3.940 ppm2      8.187 CV     1
 ASSI {  458}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 54   and name HD% )
      3.100     1.200     1.200 peak   458 spectrum    1 weight  0.10000E+01 volume  0.10620E-02 ppm1      3.946 ppm2      7.460 CV     1
 ASSI {  460}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 54   and name HD% )
      2.800     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.16327E-02 ppm1      1.483 ppm2      7.467 CV     1
 ASSI {  461}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.300     0.600     0.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.60706E-02 ppm1      1.486 ppm2      8.794 CV     1
 ASSI {  462}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      2.300     0.700     0.700 peak   462 spectrum    1 weight  0.10000E+01 volume  0.50352E-02 ppm1      1.486 ppm2      3.947 CV     1
 ASSI {  470}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.500     0.800     0.800 peak   470 spectrum    1 weight  0.10000E+01 volume  0.36686E-02 ppm1      3.945 ppm2      0.731 CV     1
 ASSI {  472}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.300     1.300     1.300 peak   472 spectrum    1 weight  0.10000E+01 volume  0.14797E-02 ppm1      3.948 ppm2      1.622 CV     1
 ASSI {  478}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
      3.200     1.300     1.300 peak   478 spectrum    1 weight  0.10000E+01 volume  0.17763E-02 ppm1      4.173 ppm2      2.828 CV     1
 ASSI {  480}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak   480 spectrum    1 weight  0.10000E+01 volume  0.15239E-02 ppm1      2.101 ppm2      8.847 CV     1
 ASSI {  485}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HG2 ))
      1.800     0.400     0.400 peak   485 spectrum    1 weight  0.10000E+01 volume  0.46503E-02 ppm1      2.812 ppm2      2.285 CV     1
 ASSI {  486}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   486 spectrum    1 weight  0.10000E+01 volume  0.43559E-02 ppm1      4.115 ppm2      7.736 CV     1
 ASSI {  487}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.500     1.500 peak   487 spectrum    1 weight  0.10000E+01 volume  0.81895E-03 ppm1      4.115 ppm2      8.196 CV     1
 ASSI {  492}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   492 spectrum    1 weight  0.10000E+01 volume  0.14335E-02 ppm1      2.138 ppm2      8.198 CV     1
 ASSI {  495}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.900     0.900 peak   495 spectrum    1 weight  0.10000E+01 volume  0.29716E-02 ppm1      3.899 ppm2      8.197 CV     1
 ASSI {  499}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HB2 ))
      3.600     1.600     1.600 peak   499 spectrum    1 weight  0.10000E+01 volume  0.74859E-03 ppm1      2.865 ppm2      1.074 CV     1
 ASSI {  504}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HB2 ))
      3.900     1.900     1.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.66335E-03 ppm1      2.690 ppm2      1.084 CV     1
 ASSI {  506}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.800     1.000     1.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.21588E-02 ppm1      3.905 ppm2      1.080 CV     1
 ASSI {  510}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.800     1.000     1.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.17148E-02 ppm1      3.426 ppm2      4.834 CV     1
 ASSI {  522}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.200     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.81782E-02 ppm1      4.664 ppm2      8.191 CV     1
 ASSI {  526}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.21753E-02 ppm1      3.227 ppm2      7.615 CV     1
 ASSI {  527}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.400     1.400     1.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.99570E-03 ppm1      3.224 ppm2      7.050 CV     1
 ASSI {  531}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB  ))
      2.800     1.000     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.24411E-02 ppm1      3.224 ppm2      1.986 CV     1
 ASSI {  535}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 66   and name HD1%)
      2.600     0.900     0.900 peak   535 spectrum    1 weight  0.10000E+01 volume  0.32430E-02 ppm1      3.224 ppm2      0.395 CV     1
 ASSI {  536}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      4.000     2.000     2.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.73661E-03 ppm1      1.979 ppm2      0.343 CV     1
 ASSI {  540}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 63   and name HN  ))
      3.700     1.700     1.700 peak   540 spectrum    1 weight  0.10000E+01 volume  0.15458E-02 ppm1      0.823 ppm2      7.617 CV     1
 ASSI {  541}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 63   and name HA  ))
      2.900     1.000     1.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.21666E-02 ppm1      0.824 ppm2      3.222 CV     1
 ASSI {  542}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H2A ))
      3.300     1.400     1.400 peak   542 spectrum    1 weight  0.10000E+01 volume  0.15466E-02 ppm1      0.824 ppm2      2.466 CV     1
 OR {  542}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H2B ))
 ASSI {  543}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 63   and name HB  ))
      2.400     0.800     0.800 peak   543 spectrum    1 weight  0.10000E+01 volume  0.36535E-02 ppm1      0.825 ppm2      1.983 CV     1
 ASSI {  546}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 66   and name HB1 ))
      2.700     0.900     0.900 peak   546 spectrum    1 weight  0.10000E+01 volume  0.24083E-02 ppm1      0.405 ppm2      2.199 CV     1
 ASSI {  550}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 66   and name HA  ))
      4.600     2.600     1.400 peak   550 spectrum    1 weight  0.10000E+01 volume  0.72685E-03 ppm1      0.402 ppm2      4.455 CV     1
 ASSI {  552}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 66   and name HG  ))
      2.200     0.600     0.600 peak   552 spectrum    1 weight  0.10000E+01 volume  0.57732E-02 ppm1      0.405 ppm2      1.796 CV     1
 ASSI {  554}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 66   and name HN  ))
      4.000     2.000     2.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.11302E-02 ppm1      0.406 ppm2      7.721 CV     1
 ASSI {  557}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.400     0.700     0.700 peak   557 spectrum    1 weight  0.10000E+01 volume  0.40248E-02 ppm1      4.451 ppm2      8.228 CV     1
 ASSI {  558}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      4.200     2.200     1.800 peak   558 spectrum    1 weight  0.10000E+01 volume  0.10692E-02 ppm1      4.469 ppm2      8.578 CV     1
 ASSI {  562}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG  ))
      3.200     1.300     1.300 peak   562 spectrum    1 weight  0.10000E+01 volume  0.12734E-02 ppm1      2.195 ppm2      1.791 CV     1
 ASSI {  563}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      2.800     1.000     1.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.11267E-02 ppm1      4.454 ppm2      2.198 CV     1
 ASSI {  564}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 63   and name HG1%)
      2.500     2.500     3.500 peak   564 spectrum    1 weight  0.10000E+01 volume  0.17184E-02 ppm1      0.404 ppm2      0.821 CV     1
 ASSI {  567}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.39670E-02 ppm1      0.606 ppm2      4.462 CV     1
 ASSI {  569}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 67   and name HN  ))
      3.900     1.900     1.900 peak   569 spectrum    1 weight  0.10000E+01 volume  0.13801E-02 ppm1      0.606 ppm2      8.229 CV     1
 ASSI {  570}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 75   and name HD% )
      3.500     1.500     1.500 peak   570 spectrum    1 weight  0.10000E+01 volume  0.10188E-02 ppm1      0.606 ppm2      6.819 CV     1
 ASSI {  571}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      3.000     1.100     1.100 peak   571 spectrum    1 weight  0.10000E+01 volume  0.18217E-02 ppm1      0.604 ppm2      4.101 CV     1
 ASSI {  572}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 71   and name HB2 ))
      3.600     1.600     1.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.16013E-02 ppm1      0.606 ppm2      2.895 CV     1
 ASSI {  574}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 72   and name HB% )
      4.600     2.700     1.400 peak   574 spectrum    1 weight  0.10000E+01 volume  0.45691E-03 ppm1      0.606 ppm2      1.575 CV     1
 ASSI {  575}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 66   and name HG  ))
      2.400     0.700     0.700 peak   575 spectrum    1 weight  0.10000E+01 volume  0.42772E-02 ppm1      0.606 ppm2      1.792 CV     1
 ASSI {  576}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 66   and name HB1 ))
      2.900     1.000     1.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.14027E-02 ppm1      0.607 ppm2      2.200 CV     1
 ASSI {  579}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.000     1.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.11743E-02 ppm1      4.497 ppm2      9.871 CV     1
 ASSI {  583}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.600     0.800     0.800 peak   583 spectrum    1 weight  0.10000E+01 volume  0.26999E-02 ppm1      4.501 ppm2      0.339 CV     1
 ASSI {  584}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      4.100     2.100     1.900 peak   584 spectrum    1 weight  0.10000E+01 volume  0.12227E-02 ppm1      4.490 ppm2      0.590 CV     1
 ASSI {  586}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG12))
      2.600     0.900     0.900 peak   586 spectrum    1 weight  0.10000E+01 volume  0.16273E-02 ppm1      4.494 ppm2      0.841 CV     1
 ASSI {  588}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 58   and name HA  ))
      3.100     1.200     1.200 peak   588 spectrum    1 weight  0.10000E+01 volume  0.96202E-03 ppm1      1.542 ppm2      4.496 CV     1
 ASSI {  591}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      4.000     2.000     2.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.11517E-02 ppm1      0.339 ppm2      9.880 CV     1
 ASSI {  592}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 63   and name HN  ))
      3.300     1.400     1.400 peak   592 spectrum    1 weight  0.10000E+01 volume  0.10922E-02 ppm1      0.339 ppm2      7.620 CV     1
 ASSI {  594}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 75   and name HD% )
      4.100     2.100     1.900 peak   594 spectrum    1 weight  0.10000E+01 volume  0.46503E-03 ppm1      0.336 ppm2      6.825 CV     1
 ASSI {  597}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
      4.200     2.200     1.800 peak   597 spectrum    1 weight  0.10000E+01 volume  0.57230E-03 ppm1      0.337 ppm2      4.654 CV     1
 ASSI {  598}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HD1 ))
      3.200     1.200     1.200 peak   598 spectrum    1 weight  0.10000E+01 volume  0.16997E-02 ppm1      0.336 ppm2      3.816 CV     1
 OR {  598}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HD2 ))
 ASSI {  599}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak   599 spectrum    1 weight  0.10000E+01 volume  0.17839E-02 ppm1      0.339 ppm2      3.226 CV     1
 ASSI {  600}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.300     0.700     0.700 peak   600 spectrum    1 weight  0.10000E+01 volume  0.45703E-02 ppm1      0.338 ppm2      1.688 CV     1
 ASSI {  603}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 66   and name HD1%)
      2.700     0.900     0.900 peak   603 spectrum    1 weight  0.10000E+01 volume  0.28837E-02 ppm1      0.337 ppm2      0.443 CV     1
 ASSI {  607}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HN  ))
      4.000     2.000     2.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.11398E-02 ppm1      0.587 ppm2      9.889 CV     1
 ASSI {  608}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      4.200     2.200     1.800 peak   608 spectrum    1 weight  0.10000E+01 volume  0.12193E-02 ppm1      0.589 ppm2      3.477 CV     1
 ASSI {  609}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.14333E-02 ppm1      0.588 ppm2      3.668 CV     1
 ASSI {  610}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 51   and name HG1 ))
      3.400     1.500     1.500 peak   610 spectrum    1 weight  0.10000E+01 volume  0.93237E-03 ppm1      0.581 ppm2      2.830 CV     1
 ASSI {  611}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 51   and name HG2 ))
      3.200     1.300     1.300 peak   611 spectrum    1 weight  0.10000E+01 volume  0.84316E-03 ppm1      0.582 ppm2      2.299 CV     1
 ASSI {  613}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HB  ))
      2.600     0.900     0.900 peak   613 spectrum    1 weight  0.10000E+01 volume  0.30419E-02 ppm1      0.585 ppm2      1.700 CV     1
 ASSI {  618}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
      2.500     0.800     0.800 peak   618 spectrum    1 weight  0.10000E+01 volume  0.43601E-02 ppm1      0.586 ppm2      0.345 CV     1
 ASSI {  619}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
      3.400     3.400     2.600 peak   619 spectrum    1 weight  0.10000E+01 volume  0.27411E-03 ppm1      0.582 ppm2      4.733 CV     1
 ASSI {  620}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 75   and name HE% )
      4.300     2.300     1.700 peak   620 spectrum    1 weight  0.10000E+01 volume  0.97999E-03 ppm1      0.588 ppm2      6.527 CV     1
 ASSI {  621}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 75   and name HD% )
      3.600     1.600     1.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.11379E-02 ppm1      0.589 ppm2      6.815 CV     1
 ASSI {  622}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      3.600     1.600     1.600 peak   622 spectrum    1 weight  0.10000E+01 volume  0.72417E-03 ppm1      0.585 ppm2      7.115 CV     1
 ASSI {  623}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
      3.900     1.900     1.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.14749E-02 ppm1      0.590 ppm2      8.521 CV     1
 ASSI {  625}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.800     0.900     0.900 peak   625 spectrum    1 weight  0.10000E+01 volume  0.20799E-02 ppm1      3.485 ppm2      8.514 CV     1
 ASSI {  626}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      2.500     0.800     0.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.33590E-02 ppm1      0.513 ppm2      3.479 CV     1
 ASSI {  627}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
      3.400     1.500     1.500 peak   627 spectrum    1 weight  0.10000E+01 volume  0.83022E-03 ppm1      0.519 ppm2      7.465 CV     1
 ASSI {  630}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
      4.000     2.000     2.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.41657E-03 ppm1      0.511 ppm2      7.877 CV     1
 ASSI {  631}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      3.900     1.900     1.900 peak   631 spectrum    1 weight  0.10000E+01 volume  0.15686E-02 ppm1      0.515 ppm2      8.511 CV     1
 ASSI {  632}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 75   and name HD% )
      3.300     1.300     1.300 peak   632 spectrum    1 weight  0.10000E+01 volume  0.78222E-03 ppm1      3.480 ppm2      6.823 CV     1
 ASSI {  636}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HG2 ))
      3.500     1.600     1.600 peak   636 spectrum    1 weight  0.10000E+01 volume  0.53661E-03 ppm1      0.516 ppm2      2.577 CV     1
 ASSI {  638}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      3.000     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.12617E-02 ppm1      3.482 ppm2      1.776 CV     1
 ASSI {  641}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HB1 ))
      3.000     1.100     1.100 peak   641 spectrum    1 weight  0.10000E+01 volume  0.34765E-02 ppm1      0.515 ppm2      1.769 CV     1
 ASSI {  642}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HG11))
      3.600     1.600     1.600 peak   642 spectrum    1 weight  0.10000E+01 volume  0.17498E-02 ppm1      0.513 ppm2      1.964 CV     1
 ASSI {  644}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HG12))
      2.300     0.700     0.700 peak   644 spectrum    1 weight  0.10000E+01 volume  0.41747E-02 ppm1      0.513 ppm2      0.929 CV     1
 ASSI {  648}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 76   and name HA  ))
      3.100     1.200     1.200 peak   648 spectrum    1 weight  0.10000E+01 volume  0.13529E-02 ppm1      1.950 ppm2      3.481 CV     1
 ASSI {  649}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 76   and name HN  ))
      2.300     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.22259E-02 ppm1      1.954 ppm2      8.519 CV     1
 ASSI {  656}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      2.400     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.27071E-02 ppm1      1.770 ppm2      8.513 CV     1
 ASSI {  660}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.700     0.900     0.900 peak   660 spectrum    1 weight  0.10000E+01 volume  0.29499E-02 ppm1      4.479 ppm2      2.900 CV     1
 ASSI {  662}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.100     1.200     1.200 peak   662 spectrum    1 weight  0.10000E+01 volume  0.19385E-02 ppm1      4.483 ppm2      3.126 CV     1
 ASSI {  663}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.500     0.800     0.800 peak   663 spectrum    1 weight  0.10000E+01 volume  0.42001E-02 ppm1      4.478 ppm2      2.041 CV     1
 OR {  663}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  664}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.400     1.400     1.400 peak   664 spectrum    1 weight  0.10000E+01 volume  0.15129E-02 ppm1      4.476 ppm2      1.441 CV     1
 ASSI {  665}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
      4.100     2.100     1.900 peak   665 spectrum    1 weight  0.10000E+01 volume  0.14689E-02 ppm1      4.476 ppm2      1.739 CV     1
 OR {  665}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI {  667}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.300     1.400     1.400 peak   667 spectrum    1 weight  0.10000E+01 volume  0.20689E-02 ppm1      2.896 ppm2      8.222 CV     1
 ASSI {  668}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      3.000     1.100     1.100 peak   668 spectrum    1 weight  0.10000E+01 volume  0.12602E-02 ppm1      2.894 ppm2      8.568 CV     1
 ASSI {  671}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak   671 spectrum    1 weight  0.10000E+01 volume  0.41688E-02 ppm1      4.050 ppm2      7.034 CV     1
 ASSI {  672}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      3.900     1.900     1.900 peak   672 spectrum    1 weight  0.10000E+01 volume  0.13096E-02 ppm1      1.814 ppm2      7.043 CV     1
 ASSI {  674}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      2.800     1.000     1.000 peak   674 spectrum    1 weight  0.10000E+01 volume  0.11743E-02 ppm1      1.748 ppm2      7.043 CV     1
 ASSI {  675}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak   675 spectrum    1 weight  0.10000E+01 volume  0.18305E-02 ppm1      1.822 ppm2      4.050 CV     1
 ASSI {  676}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      3.200     1.300     1.300 peak   676 spectrum    1 weight  0.10000E+01 volume  0.20337E-02 ppm1      1.749 ppm2      4.048 CV     1
 ASSI {  677}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
      2.800     1.000     1.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.20822E-02 ppm1      4.049 ppm2      1.386 CV     1
 OR {  677}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI {  681}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.200     1.300     1.300 peak   681 spectrum    1 weight  0.10000E+01 volume  0.11517E-02 ppm1      4.047 ppm2      7.279 CV     1
 ASSI {  683}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.300     1.400     1.400 peak   683 spectrum    1 weight  0.10000E+01 volume  0.10955E-02 ppm1      4.050 ppm2      8.057 CV     1
 ASSI {  686}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H41A))
      3.600     1.600     1.600 peak   686 spectrum    1 weight  0.10000E+01 volume  0.61271E-03 ppm1      4.043 ppm2      8.192 CV     1
 ASSI {  687}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 40   and name H41A))
      3.600     1.600     1.600 peak   687 spectrum    1 weight  0.10000E+01 volume  0.51550E-03 ppm1      1.383 ppm2      8.200 CV     1
 OR {  687}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 40   and name H41A))
 ASSI {  688}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 63   and name HG1%)
      3.200     1.200     1.200 peak   688 spectrum    1 weight  0.10000E+01 volume  0.13046E-02 ppm1      4.049 ppm2      0.840 CV     1
 ASSI {  689}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   689 spectrum    1 weight  0.10000E+01 volume  0.18410E-02 ppm1      3.040 ppm2      4.881 CV     1
 ASSI {  690}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      2.900     1.100     1.100 peak   690 spectrum    1 weight  0.10000E+01 volume  0.18081E-02 ppm1      2.722 ppm2      4.864 CV     1
 ASSI {  691}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      3.200     1.300     1.300 peak   691 spectrum    1 weight  0.10000E+01 volume  0.13114E-02 ppm1      3.040 ppm2      7.271 CV     1
 ASSI {  692}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 66   and name HN  ))
      3.000     1.100     1.100 peak   692 spectrum    1 weight  0.10000E+01 volume  0.16828E-02 ppm1      3.038 ppm2      7.729 CV     1
 ASSI {  693}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      4.500     2.500     1.500 peak   693 spectrum    1 weight  0.10000E+01 volume  0.63554E-03 ppm1      3.039 ppm2      6.996 CV     1
 ASSI {  694}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      4.000     2.000     2.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.73271E-03 ppm1      2.718 ppm2      7.006 CV     1
 ASSI {  696}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.200     0.600     0.600 peak   696 spectrum    1 weight  0.10000E+01 volume  0.49209E-02 ppm1      5.250 ppm2      8.170 CV     1
 ASSI {  697}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.12346E-02 ppm1      5.254 ppm2      8.580 CV     1
 ASSI {  698}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      2.400     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.30276E-02 ppm1      5.249 ppm2      4.355 CV     1
 ASSI {  699}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      2.400     0.700     0.700 peak   699 spectrum    1 weight  0.10000E+01 volume  0.31520E-02 ppm1      5.249 ppm2      4.916 CV     1
 ASSI {  701}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG2%)
      2.400     0.700     0.700 peak   701 spectrum    1 weight  0.10000E+01 volume  0.35875E-02 ppm1      4.350 ppm2      1.050 CV     1
 ASSI {  704}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.300     1.300     1.300 peak   704 spectrum    1 weight  0.10000E+01 volume  0.11672E-02 ppm1      5.243 ppm2      4.063 CV     1
 ASSI {  705}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 69   and name HG1%)
      4.800     2.800     1.200 peak   705 spectrum    1 weight  0.10000E+01 volume  0.61988E-03 ppm1      4.358 ppm2      0.438 CV     1
 ASSI {  706}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      2.600     0.800     0.800 peak   706 spectrum    1 weight  0.10000E+01 volume  0.33492E-02 ppm1      1.052 ppm2      5.255 CV     1
 ASSI {  707}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
      3.600     1.600     1.600 peak   707 spectrum    1 weight  0.10000E+01 volume  0.17632E-02 ppm1      1.052 ppm2      4.912 CV     1
 ASSI {  708}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HG1 ))
      3.000     1.200     1.200 peak   708 spectrum    1 weight  0.10000E+01 volume  0.17275E-02 ppm1      1.054 ppm2      5.387 CV     1
 ASSI {  711}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 31   and name HB1 ))
      3.100     1.200     1.200 peak   711 spectrum    1 weight  0.10000E+01 volume  0.16651E-02 ppm1      1.051 ppm2      4.097 CV     1
 ASSI {  713}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      2.700     0.900     0.900 peak   713 spectrum    1 weight  0.10000E+01 volume  0.26251E-02 ppm1      1.054 ppm2      8.582 CV     1
 ASSI {  714}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG1 ))
      3.500     1.500     1.500 peak   714 spectrum    1 weight  0.10000E+01 volume  0.12267E-02 ppm1      5.250 ppm2      5.381 CV     1
 ASSI {  715}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   715 spectrum    1 weight  0.10000E+01 volume  0.30394E-02 ppm1      0.997 ppm2      4.319 CV     1
 ASSI {  717}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      4.200     2.200     1.800 peak   717 spectrum    1 weight  0.10000E+01 volume  0.84412E-03 ppm1      0.992 ppm2      7.726 CV     1
 ASSI {  719}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HD1 ))
      3.300     1.400     1.400 peak   719 spectrum    1 weight  0.10000E+01 volume  0.20324E-02 ppm1      0.997 ppm2      4.039 CV     1
 ASSI {  720}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HD2 ))
      2.800     1.000     1.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.26194E-02 ppm1      0.997 ppm2      3.690 CV     1
 ASSI {  721}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 25   and name HB1 ))
      3.100     1.200     1.200 peak   721 spectrum    1 weight  0.10000E+01 volume  0.22455E-02 ppm1      0.997 ppm2      2.683 CV     1
 ASSI {  722}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
      3.800     1.800     1.800 peak   722 spectrum    1 weight  0.10000E+01 volume  0.16872E-02 ppm1      0.998 ppm2      2.574 CV     1
 ASSI {  723}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HG12))
      2.400     0.700     0.700 peak   723 spectrum    1 weight  0.10000E+01 volume  0.35951E-02 ppm1      0.995 ppm2      1.301 CV     1
 OR {  723}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HG11))
 ASSI {  724}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      2.300     0.700     0.700 peak   724 spectrum    1 weight  0.10000E+01 volume  0.51936E-02 ppm1      0.996 ppm2      1.597 CV     1
 ASSI {  725}
   (  segid "    " and resid 21   and name HG2%)
   (  segid "    " and resid 21   and name HD1%)
      3.400     1.500     1.500 peak   725 spectrum    1 weight  0.10000E+01 volume  0.31189E-02 ppm1      0.996 ppm2      0.792 CV     1
 ASSI {  726}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
      4.800     2.800     1.200 peak   726 spectrum    1 weight  0.10000E+01 volume  0.64794E-03 ppm1      1.002 ppm2      1.734 CV     1
 ASSI {  727}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      2.500     0.800     0.800 peak   727 spectrum    1 weight  0.10000E+01 volume  0.49058E-02 ppm1      0.938 ppm2      3.941 CV     1
 ASSI {  728}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak   728 spectrum    1 weight  0.10000E+01 volume  0.15652E-02 ppm1      0.937 ppm2      8.216 CV     1
 ASSI {  729}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.200     1.200 peak   729 spectrum    1 weight  0.10000E+01 volume  0.12486E-02 ppm1      0.944 ppm2      8.473 CV     1
 ASSI {  730}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      3.400     1.500     1.500 peak   730 spectrum    1 weight  0.10000E+01 volume  0.11585E-02 ppm1      0.945 ppm2      8.058 CV     1
 ASSI {  731}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      3.600     1.600     1.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.82749E-03 ppm1      0.944 ppm2      4.812 CV     1
 ASSI {  732}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.300     1.300 peak   732 spectrum    1 weight  0.10000E+01 volume  0.17472E-02 ppm1      0.940 ppm2      4.289 CV     1
 ASSI {  733}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      4.400     2.400     1.600 peak   733 spectrum    1 weight  0.10000E+01 volume  0.10125E-02 ppm1      0.937 ppm2      4.059 CV     1
 ASSI {  734}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 42   and name HB2 ))
      3.400     1.400     1.400 peak   734 spectrum    1 weight  0.10000E+01 volume  0.22734E-02 ppm1      0.938 ppm2      3.660 CV     1
 ASSI {  735}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HB2 ))
      3.100     1.200     1.200 peak   735 spectrum    1 weight  0.10000E+01 volume  0.15849E-02 ppm1      0.939 ppm2      2.149 CV     1
 ASSI {  736}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HB1 ))
      3.700     1.700     1.700 peak   736 spectrum    1 weight  0.10000E+01 volume  0.26714E-02 ppm1      0.939 ppm2      2.292 CV     1
 ASSI {  737}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 17   and name HG1 ))
      4.100     2.100     1.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.81761E-03 ppm1      0.937 ppm2      2.431 CV     1
 ASSI {  738}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 21   and name HG11))
      3.300     3.300     2.700 peak   738 spectrum    1 weight  0.10000E+01 volume  0.31558E-02 ppm1      0.941 ppm2      1.298 CV     1
 OR {  738}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 21   and name HG12))
 ASSI {  739}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      2.200     0.600     0.600 peak   739 spectrum    1 weight  0.10000E+01 volume  0.71855E-02 ppm1      0.942 ppm2      1.631 CV     1
 OR {  739}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HG11))
 ASSI {  740}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 19   and name HB% )
      2.300     0.700     0.700 peak   740 spectrum    1 weight  0.10000E+01 volume  0.90695E-02 ppm1      0.936 ppm2      1.549 CV     1
 ASSI {  742}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 18   and name HD1%)
      2.500     0.800     0.800 peak   742 spectrum    1 weight  0.10000E+01 volume  0.42160E-02 ppm1      0.936 ppm2      0.785 CV     1
 ASSI {  743}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      2.300     0.600     0.600 peak   743 spectrum    1 weight  0.10000E+01 volume  0.61368E-02 ppm1      1.102 ppm2      4.174 CV     1
 ASSI {  744}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.100     1.100 peak   744 spectrum    1 weight  0.10000E+01 volume  0.22769E-02 ppm1      1.102 ppm2      8.385 CV     1
 ASSI {  746}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.900     0.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.21645E-02 ppm1      1.102 ppm2      8.648 CV     1
 ASSI {  747}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      2.200     0.600     0.600 peak   747 spectrum    1 weight  0.10000E+01 volume  0.77648E-02 ppm1      1.102 ppm2      3.680 CV     1
 ASSI {  749}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.100     0.600     0.600 peak   749 spectrum    1 weight  0.10000E+01 volume  0.92052E-02 ppm1      4.473 ppm2      7.829 CV     1
 ASSI {  753}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.000     1.100     1.100 peak   753 spectrum    1 weight  0.10000E+01 volume  0.18277E-02 ppm1      4.476 ppm2      3.246 CV     1
 ASSI {  758}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 56   and name HG1%)
      2.600     0.900     0.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.27358E-02 ppm1      2.002 ppm2      0.945 CV     1
 OR {  758}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI {  760}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 56   and name HA  ))
      2.900     1.000     1.000 peak   760 spectrum    1 weight  0.10000E+01 volume  0.25684E-02 ppm1      0.960 ppm2      4.669 CV     1
 ASSI {  761}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 56   and name HA  ))
      3.000     1.100     1.100 peak   761 spectrum    1 weight  0.10000E+01 volume  0.25535E-02 ppm1      0.911 ppm2      4.666 CV     1
 ASSI {  763}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      2.400     0.700     0.700 peak   763 spectrum    1 weight  0.10000E+01 volume  0.47161E-02 ppm1      0.910 ppm2      7.484 CV     1
 ASSI {  768}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      3.900     1.900     1.900 peak   768 spectrum    1 weight  0.10000E+01 volume  0.12596E-02 ppm1      0.914 ppm2      6.358 CV     1
 ASSI {  769}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 75   and name HE% )
      3.400     1.500     1.500 peak   769 spectrum    1 weight  0.10000E+01 volume  0.14022E-02 ppm1      0.912 ppm2      6.526 CV     1
 ASSI {  770}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 57   and name HN  ))
      3.100     1.200     1.200 peak   770 spectrum    1 weight  0.10000E+01 volume  0.25823E-02 ppm1      0.914 ppm2      8.187 CV     1
 ASSI {  777}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HB  ))
      2.200     0.600     0.600 peak   777 spectrum    1 weight  0.10000E+01 volume  0.81753E-02 ppm1      0.912 ppm2      2.327 CV     1
 ASSI {  780}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 58   and name HD1%)
      2.700     0.900     0.900 peak   780 spectrum    1 weight  0.10000E+01 volume  0.33434E-02 ppm1      0.912 ppm2      0.583 CV     1
 ASSI {  781}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 56   and name HB  ))
      2.100     0.600     0.600 peak   781 spectrum    1 weight  0.10000E+01 volume  0.10150E-01 ppm1      0.959 ppm2      2.009 CV     1
 ASSI {  783}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 75   and name HE% )
      3.200     1.300     1.300 peak   783 spectrum    1 weight  0.10000E+01 volume  0.13930E-02 ppm1      0.963 ppm2      6.526 CV     1
 ASSI {  785}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 75   and name HD% )
      3.200     1.300     1.300 peak   785 spectrum    1 weight  0.10000E+01 volume  0.11855E-02 ppm1      0.959 ppm2      6.837 CV     1
 ASSI {  786}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
      2.200     0.600     0.600 peak   786 spectrum    1 weight  0.10000E+01 volume  0.59843E-02 ppm1      1.115 ppm2      7.298 CV     1
 ASSI {  787}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak   787 spectrum    1 weight  0.10000E+01 volume  0.23362E-02 ppm1      3.591 ppm2      7.296 CV     1
 ASSI {  788}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.100     1.100 peak   788 spectrum    1 weight  0.10000E+01 volume  0.14036E-02 ppm1      2.210 ppm2      6.998 CV     1
 ASSI {  790}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.400     1.400     1.400 peak   790 spectrum    1 weight  0.10000E+01 volume  0.13096E-02 ppm1      3.587 ppm2      7.944 CV     1
 ASSI {  791}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.61946E-03 ppm1      3.591 ppm2      8.066 CV     1
 ASSI {  792}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 44   and name HN  ))
      3.900     1.900     1.900 peak   792 spectrum    1 weight  0.10000E+01 volume  0.22852E-02 ppm1      0.968 ppm2      7.299 CV     1
 ASSI {  793}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      4.000     2.000     2.000 peak   793 spectrum    1 weight  0.10000E+01 volume  0.13379E-02 ppm1      1.114 ppm2      6.979 CV     1
 ASSI {  794}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   794 spectrum    1 weight  0.10000E+01 volume  0.25980E-02 ppm1      1.112 ppm2      4.303 CV     1
 ASSI {  795}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H43A))
      2.700     2.700     3.300 peak   795 spectrum    1 weight  0.10000E+01 volume  0.11033E-02 ppm1      1.116 ppm2      2.830 CV     1
 OR {  795}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H43B))
 ASSI {  796}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 43   and name HB2 ))
      2.500     2.500     3.500 peak   796 spectrum    1 weight  0.10000E+01 volume  0.14746E-02 ppm1      1.110 ppm2      1.903 CV     1
 ASSI {  797}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HB  ))
      2.100     0.600     0.600 peak   797 spectrum    1 weight  0.10000E+01 volume  0.10457E-01 ppm1      1.111 ppm2      2.202 CV     1
 ASSI {  798}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H38B))
      3.100     1.200     1.200 peak   798 spectrum    1 weight  0.10000E+01 volume  0.15543E-02 ppm1      1.112 ppm2      2.450 CV     1
 OR {  798}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H38A))
 ASSI {  801}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HB  ))
      2.300     0.700     0.700 peak   801 spectrum    1 weight  0.10000E+01 volume  0.62624E-02 ppm1      1.261 ppm2      4.187 CV     1
 ASSI {  806}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 32   and name HB2 ))
      3.100     1.200     1.200 peak   806 spectrum    1 weight  0.10000E+01 volume  0.14643E-02 ppm1      1.258 ppm2      3.148 CV     1
 OR {  806}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  807}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H43B))
      3.400     1.500     1.500 peak   807 spectrum    1 weight  0.10000E+01 volume  0.86749E-03 ppm1      1.263 ppm2      2.830 CV     1
 OR {  807}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H43A))
 ASSI {  809}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      3.400     1.500     1.500 peak   809 spectrum    1 weight  0.10000E+01 volume  0.86000E-03 ppm1      1.265 ppm2      8.009 CV     1
 ASSI {  812}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
      3.700     1.700     1.700 peak   812 spectrum    1 weight  0.10000E+01 volume  0.14623E-02 ppm1      0.725 ppm2      7.483 CV     1
 ASSI {  813}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.500     1.500 peak   813 spectrum    1 weight  0.10000E+01 volume  0.97132E-03 ppm1      0.729 ppm2      8.929 CV     1
 ASSI {  814}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 27   and name HN  ))
      3.500     1.500     1.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.13477E-02 ppm1      0.727 ppm2      6.363 CV     1
 ASSI {  815}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   815 spectrum    1 weight  0.10000E+01 volume  0.40309E-02 ppm1      0.726 ppm2      3.532 CV     1
 ASSI {  816}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HA  ))
      2.200     0.600     0.600 peak   816 spectrum    1 weight  0.10000E+01 volume  0.55642E-02 ppm1      0.761 ppm2      4.372 CV     1
 ASSI {  817}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 26   and name HB  ))
      2.300     0.700     0.700 peak   817 spectrum    1 weight  0.10000E+01 volume  0.60735E-02 ppm1      0.726 ppm2      2.328 CV     1
 ASSI {  818}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 12   and name HB% )
      2.800     1.000     1.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.34151E-02 ppm1      0.725 ppm2      1.674 CV     1
 ASSI {  819}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      2.300     0.600     0.600 peak   819 spectrum    1 weight  0.10000E+01 volume  0.48866E-02 ppm1      0.437 ppm2      8.158 CV     1
 ASSI {  820}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 69   and name HB  ))
      2.300     0.700     0.700 peak   820 spectrum    1 weight  0.10000E+01 volume  0.49661E-02 ppm1      0.435 ppm2      2.284 CV     1
 ASSI {  821}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 69   and name HA  ))
      2.500     0.800     0.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.36944E-02 ppm1      0.436 ppm2      3.403 CV     1
 ASSI {  822}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 28   and name HA  ))
      3.700     1.700     1.700 peak   822 spectrum    1 weight  0.10000E+01 volume  0.15057E-02 ppm1      0.435 ppm2      3.552 CV     1
 ASSI {  823}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 70   and name HN  ))
      4.500     2.500     1.500 peak   823 spectrum    1 weight  0.10000E+01 volume  0.69175E-03 ppm1      0.436 ppm2      9.425 CV     1
 ASSI {  824}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 30   and name HN  ))
      3.700     1.700     1.700 peak   824 spectrum    1 weight  0.10000E+01 volume  0.83466E-03 ppm1      0.433 ppm2      7.518 CV     1
 ASSI {  825}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 32   and name HE% )
      3.100     1.200     1.200 peak   825 spectrum    1 weight  0.10000E+01 volume  0.12540E-02 ppm1      0.436 ppm2      6.989 CV     1
 ASSI {  826}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 32   and name HZ  ))
      3.100     1.200     1.200 peak   826 spectrum    1 weight  0.10000E+01 volume  0.10521E-02 ppm1      0.437 ppm2      6.867 CV     1
 ASSI {  828}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 68   and name HA  ))
      4.100     2.100     1.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.87553E-03 ppm1      0.439 ppm2      5.246 CV     1
 ASSI {  829}
   (  segid "    " and resid 69   and name HG2%)
   (  segid "    " and resid 69   and name HG1%)
      2.300     0.700     0.700 peak   829 spectrum    1 weight  0.10000E+01 volume  0.65724E-02 ppm1      0.644 ppm2      0.436 CV     1
 ASSI {  832}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 70   and name HA2 ))
      3.600     1.600     1.600 peak   832 spectrum    1 weight  0.10000E+01 volume  0.81229E-03 ppm1      0.647 ppm2      3.803 CV     1
 ASSI {  834}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      2.600     0.800     0.800 peak   834 spectrum    1 weight  0.10000E+01 volume  0.14395E-02 ppm1      0.644 ppm2      8.164 CV     1
 ASSI {  835}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak   835 spectrum    1 weight  0.10000E+01 volume  0.68614E-03 ppm1      0.646 ppm2      8.477 CV     1
 ASSI {  836}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      3.800     1.800     1.800 peak   836 spectrum    1 weight  0.10000E+01 volume  0.76651E-03 ppm1      0.646 ppm2      8.658 CV     1
 ASSI {  837}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      2.800     1.000     1.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.12480E-02 ppm1      0.646 ppm2      9.423 CV     1
 ASSI {  843}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 32   and name HZ  ))
      3.000     1.100     1.100 peak   843 spectrum    1 weight  0.10000E+01 volume  0.20461E-02 ppm1      3.410 ppm2      6.868 CV     1
 ASSI {  844}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.600     1.600     1.600 peak   844 spectrum    1 weight  0.10000E+01 volume  0.19556E-02 ppm1      3.415 ppm2      6.986 CV     1
 ASSI {  849}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 26   and name HG1%)
      2.400     0.700     0.700 peak   849 spectrum    1 weight  0.10000E+01 volume  0.45100E-02 ppm1      0.436 ppm2      0.736 CV     1
 ASSI {  860}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 70   and name HA2 ))
      2.800     1.000     1.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.14761E-02 ppm1      1.102 ppm2      3.803 CV     1
 ASSI {  861}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
      3.100     1.200     1.200 peak   861 spectrum    1 weight  0.10000E+01 volume  0.40421E-02 ppm1      1.103 ppm2      1.783 CV     1
 ASSI {  862}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak   862 spectrum    1 weight  0.10000E+01 volume  0.56036E-02 ppm1      0.992 ppm2      8.521 CV     1
 ASSI {  866}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   866 spectrum    1 weight  0.10000E+01 volume  0.21381E-02 ppm1      0.992 ppm2      4.253 CV     1
 ASSI {  868}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak   868 spectrum    1 weight  0.10000E+01 volume  0.30771E-02 ppm1      0.993 ppm2      9.248 CV     1
 OR {  868}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  871}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
      2.400     2.400     3.600 peak   871 spectrum    1 weight  0.10000E+01 volume  0.23750E-02 ppm1      0.769 ppm2      2.142 CV     1
 ASSI {  872}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HB  ))
      2.700     0.900     0.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.60710E-02 ppm1      0.769 ppm2      1.629 CV     1
 ASSI {  874}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HG12))
      2.400     0.700     0.700 peak   874 spectrum    1 weight  0.10000E+01 volume  0.38627E-02 ppm1      0.769 ppm2      1.302 CV     1
 ASSI {  875}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 19   and name HB% )
      3.600     1.600     1.600 peak   875 spectrum    1 weight  0.10000E+01 volume  0.35446E-02 ppm1      0.767 ppm2      1.514 CV     1
 ASSI {  878}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      2.200     0.600     0.600 peak   878 spectrum    1 weight  0.10000E+01 volume  0.88772E-02 ppm1      1.104 ppm2      2.052 CV     1
 ASSI {  879}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
      2.500     0.800     0.800 peak   879 spectrum    1 weight  0.10000E+01 volume  0.52061E-02 ppm1      1.114 ppm2      3.589 CV     1
 ASSI {  882}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 80   and name HE21))
      3.500     1.500     1.500 peak   882 spectrum    1 weight  0.10000E+01 volume  0.13416E-02 ppm1      0.815 ppm2      7.647 CV     1
 ASSI {  883}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 80   and name HE22))
      3.400     1.400     1.400 peak   883 spectrum    1 weight  0.10000E+01 volume  0.15050E-02 ppm1      0.812 ppm2      7.757 CV     1
 ASSI {  884}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 4    and name HN  ))
      2.800     1.000     1.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.18799E-02 ppm1      0.815 ppm2      9.241 CV     1
 OR {  884}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  887}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.000     1.100     1.100 peak   887 spectrum    1 weight  0.10000E+01 volume  0.22530E-02 ppm1      3.792 ppm2      9.422 CV     1
 ASSI {  888}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 70   and name HN  ))
      2.400     0.700     0.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.29074E-02 ppm1      4.001 ppm2      9.422 CV     1
 ASSI {  889}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 71   and name HN  ))
      3.600     1.600     1.600 peak   889 spectrum    1 weight  0.10000E+01 volume  0.84823E-03 ppm1      3.789 ppm2      8.354 CV     1
 ASSI {  898}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.900     1.000     1.000 peak   898 spectrum    1 weight  0.10000E+01 volume  0.16286E-02 ppm1      2.031 ppm2      1.436 CV     1
 OR {  898}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {  902}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
      3.900     1.900     1.900 peak   902 spectrum    1 weight  0.10000E+01 volume  0.84098E-03 ppm1      1.570 ppm2      4.474 CV     1
 ASSI {  903}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HE2 ))
      3.200     1.300     1.300 peak   903 spectrum    1 weight  0.10000E+01 volume  0.11599E-02 ppm1      1.440 ppm2      3.059 CV     1
 OR {  903}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HE1 ))
 ASSI {  907}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
      2.300     0.600     0.600 peak   907 spectrum    1 weight  0.10000E+01 volume  0.51810E-02 ppm1      4.399 ppm2      2.383 CV     1
 ASSI {  908}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      3.100     1.200     1.200 peak   908 spectrum    1 weight  0.10000E+01 volume  0.49230E-02 ppm1      4.399 ppm2      8.650 CV     1
 ASSI {  909}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.900     1.000     1.000 peak   909 spectrum    1 weight  0.10000E+01 volume  0.34164E-02 ppm1      4.399 ppm2      1.937 CV     1
 ASSI {  910}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD1 ))
      3.400     1.500     1.500 peak   910 spectrum    1 weight  0.10000E+01 volume  0.15161E-02 ppm1      1.924 ppm2      3.816 CV     1
 OR {  910}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI {  911}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HD1 ))
      2.400     0.700     0.700 peak   911 spectrum    1 weight  0.10000E+01 volume  0.41141E-02 ppm1      1.981 ppm2      3.813 CV     1
 OR {  911}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI {  912}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HD2 ))
      2.500     0.800     0.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.33873E-02 ppm1      1.927 ppm2      3.814 CV     1
 OR {  912}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI {  913}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      2.900     1.000     1.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.10185E-02 ppm1      1.934 ppm2      8.667 CV     1
 ASSI {  914}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      4.000     2.000     2.000 peak   914 spectrum    1 weight  0.10000E+01 volume  0.97982E-03 ppm1      2.381 ppm2      8.665 CV     1
 ASSI {  915}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HA  ))
      2.100     0.500     0.500 peak   915 spectrum    1 weight  0.10000E+01 volume  0.66243E-02 ppm1      3.809 ppm2      4.505 CV     1
 OR {  915}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  916}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HB1 ))
      3.300     1.300     1.300 peak   916 spectrum    1 weight  0.10000E+01 volume  0.27485E-02 ppm1      3.809 ppm2      2.403 CV     1
 OR {  916}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI {  921}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 58   and name HG12))
      4.500     2.500     1.500 peak   921 spectrum    1 weight  0.10000E+01 volume  0.53443E-03 ppm1      3.812 ppm2      0.865 CV     1
 OR {  921}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HG12))
 ASSI {  923}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.900     1.100     1.100 peak   923 spectrum    1 weight  0.10000E+01 volume  0.20017E-02 ppm1      4.199 ppm2      8.658 CV     1
 ASSI {  924}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak   924 spectrum    1 weight  0.10000E+01 volume  0.32865E-02 ppm1      2.605 ppm2      8.661 CV     1
 OR {  924}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  925}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.400     1.500     1.500 peak   925 spectrum    1 weight  0.10000E+01 volume  0.88973E-03 ppm1      4.200 ppm2      7.613 CV     1
 ASSI {  926}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.700     0.900     0.900 peak   926 spectrum    1 weight  0.10000E+01 volume  0.34621E-02 ppm1      2.601 ppm2      4.195 CV     1
 OR {  926}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  928}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.000     1.100     1.100 peak   928 spectrum    1 weight  0.10000E+01 volume  0.19798E-02 ppm1      4.617 ppm2      7.713 CV     1
 ASSI {  934}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.800     1.000     1.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.28412E-02 ppm1      4.602 ppm2      2.768 CV     1
 ASSI {  937}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.900     1.100     1.100 peak   937 spectrum    1 weight  0.10000E+01 volume  0.22409E-02 ppm1      4.613 ppm2      3.573 CV     1
 ASSI {  941}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HD2 ))
      3.600     1.600     1.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.83202E-03 ppm1      4.614 ppm2      7.014 CV     1
 ASSI {  942}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HB2 ))
      2.000     0.500     0.500 peak   942 spectrum    1 weight  0.10000E+01 volume  0.53682E-02 ppm1      3.570 ppm2      2.497 CV     1
 ASSI {  943}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.000     1.000 peak   943 spectrum    1 weight  0.10000E+01 volume  0.22740E-02 ppm1      4.168 ppm2      8.311 CV     1
 ASSI {  944}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.800     0.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.49456E-02 ppm1      1.421 ppm2      8.312 CV     1
 ASSI {  945}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 55   and name HB1 ))
      2.800     2.800     3.200 peak   945 spectrum    1 weight  0.10000E+01 volume  0.78243E-03 ppm1      1.430 ppm2      3.253 CV     1
 ASSI {  948}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
      2.600     0.800     0.800 peak   948 spectrum    1 weight  0.10000E+01 volume  0.47802E-02 ppm1      1.426 ppm2      4.172 CV     1
 ASSI {  949}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.200     0.600     0.600 peak   949 spectrum    1 weight  0.10000E+01 volume  0.84333E-02 ppm1      4.401 ppm2      8.310 CV     1
 ASSI {  950}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      2.700     0.900     0.900 peak   950 spectrum    1 weight  0.10000E+01 volume  0.24892E-02 ppm1      4.406 ppm2      7.886 CV     1
 ASSI {  951}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak   951 spectrum    1 weight  0.10000E+01 volume  0.17770E-02 ppm1      2.135 ppm2      4.414 CV     1
 ASSI {  954}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.500     0.800     0.800 peak   954 spectrum    1 weight  0.10000E+01 volume  0.35347E-02 ppm1      4.406 ppm2      2.328 CV     1
 ASSI {  955}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
      2.600     0.800     0.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.33153E-02 ppm1      4.405 ppm2      0.948 CV     1
 OR {  955}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI {  958}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 77   and name HA  ))
      3.100     1.200     1.200 peak   958 spectrum    1 weight  0.10000E+01 volume  0.66289E-03 ppm1      2.704 ppm2      3.893 CV     1
 ASSI {  959}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 77   and name HA  ))
      3.900     1.900     1.900 peak   959 spectrum    1 weight  0.10000E+01 volume  0.62323E-03 ppm1      2.580 ppm2      3.893 CV     1
 ASSI {  960}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.200     1.200 peak   960 spectrum    1 weight  0.10000E+01 volume  0.11878E-02 ppm1      5.011 ppm2      7.698 CV     1
 ASSI {  961}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.800     1.000     1.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.30441E-02 ppm1      5.012 ppm2      2.717 CV     1
 ASSI {  963}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.900     1.000     1.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.18378E-02 ppm1      5.017 ppm2      3.027 CV     1
 ASSI {  965}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HG  ))
      3.100     1.200     1.200 peak   965 spectrum    1 weight  0.10000E+01 volume  0.15581E-02 ppm1      2.714 ppm2      1.452 CV     1
 ASSI {  966}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      4.000     2.000     2.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.97899E-03 ppm1      2.712 ppm2      1.375 CV     1
 ASSI {  967}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak   967 spectrum    1 weight  0.10000E+01 volume  0.96952E-03 ppm1      2.713 ppm2      7.480 CV     1
 ASSI {  969}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.500     1.600     1.600 peak   969 spectrum    1 weight  0.10000E+01 volume  0.12719E-02 ppm1      3.031 ppm2      7.698 CV     1
 ASSI {  970}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.900     0.900 peak   970 spectrum    1 weight  0.10000E+01 volume  0.12054E-02 ppm1      2.706 ppm2     10.176 CV     1
 ASSI {  971}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.300     1.400     1.400 peak   971 spectrum    1 weight  0.10000E+01 volume  0.18949E-02 ppm1      3.036 ppm2     10.174 CV     1
 ASSI {  972}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.300     0.700     0.700 peak   972 spectrum    1 weight  0.10000E+01 volume  0.63965E-02 ppm1      4.397 ppm2      7.341 CV     1
 ASSI {  973}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.000     1.000 peak   973 spectrum    1 weight  0.10000E+01 volume  0.25017E-02 ppm1      4.403 ppm2      8.028 CV     1
 ASSI {  974}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   974 spectrum    1 weight  0.10000E+01 volume  0.16683E-02 ppm1      2.439 ppm2      4.406 CV     1
 ASSI {  975}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   975 spectrum    1 weight  0.10000E+01 volume  0.17281E-02 ppm1      3.073 ppm2      4.407 CV     1
 ASSI {  976}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak   976 spectrum    1 weight  0.10000E+01 volume  0.55136E-02 ppm1      4.387 ppm2     10.172 CV     1
 ASSI {  977}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.23449E-02 ppm1      4.380 ppm2      7.492 CV     1
 ASSI {  979}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.400     1.400     1.400 peak   979 spectrum    1 weight  0.10000E+01 volume  0.14328E-02 ppm1      4.705 ppm2      2.293 CV     1
 ASSI {  980}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.200     0.600     0.600 peak   980 spectrum    1 weight  0.10000E+01 volume  0.56652E-02 ppm1      4.704 ppm2      9.871 CV     1
 ASSI {  982}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HG2 ))
      3.200     1.300     1.300 peak   982 spectrum    1 weight  0.10000E+01 volume  0.12879E-02 ppm1      4.697 ppm2      1.348 CV     1
 OR {  982}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HG1 ))
 ASSI {  983}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.000     1.000 peak   983 spectrum    1 weight  0.10000E+01 volume  0.20483E-02 ppm1      4.584 ppm2      7.731 CV     1
 ASSI {  984}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.900     0.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.31864E-02 ppm1      4.589 ppm2      2.588 CV     1
 ASSI {  985}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.100     1.200     1.200 peak   985 spectrum    1 weight  0.10000E+01 volume  0.20252E-02 ppm1      4.592 ppm2      2.694 CV     1
 ASSI {  986}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 27   and name HE1 ))
      3.500     1.600     1.600 peak   986 spectrum    1 weight  0.10000E+01 volume  0.86523E-03 ppm1      4.586 ppm2      3.042 CV     1
 OR {  986}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 27   and name HE2 ))
 ASSI {  987}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.300     1.300 peak   987 spectrum    1 weight  0.10000E+01 volume  0.14050E-02 ppm1      4.598 ppm2      7.485 CV     1
 ASSI {  988}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.800     0.800 peak   988 spectrum    1 weight  0.10000E+01 volume  0.23209E-02 ppm1      2.584 ppm2      7.734 CV     1
 ASSI {  989}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 23   and name HG2%)
      2.500     2.500     3.500 peak   989 spectrum    1 weight  0.10000E+01 volume  0.15801E-02 ppm1      2.583 ppm2      0.997 CV     1
 ASSI {  990}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak   990 spectrum    1 weight  0.10000E+01 volume  0.41824E-02 ppm1      4.625 ppm2      8.467 CV     1
 ASSI {  993}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.15071E-02 ppm1      4.625 ppm2      6.360 CV     1
 ASSI {  994}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.500     0.800     0.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.24090E-02 ppm1      4.630 ppm2      2.056 CV     1
 ASSI {  996}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HD1 ))
      3.600     1.600     1.600 peak   996 spectrum    1 weight  0.10000E+01 volume  0.13197E-02 ppm1      4.629 ppm2      1.745 CV     1
 ASSI {  997}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak   997 spectrum    1 weight  0.10000E+01 volume  0.16068E-02 ppm1      4.625 ppm2      1.534 CV     1
 ASSI {  998}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
      2.700     0.900     0.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.31297E-02 ppm1      4.628 ppm2      1.327 CV     1
 OR {  998}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI {  999}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 28   and name HD2%)
      3.500     1.500     1.500 peak   999 spectrum    1 weight  0.10000E+01 volume  0.85807E-03 ppm1      4.625 ppm2      0.892 CV     1
 ASSI { 1000}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     0.800     0.800 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.45440E-02 ppm1      4.663 ppm2      8.988 CV     1
 ASSI { 1001}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     1.100     1.100 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.20644E-02 ppm1      4.665 ppm2      8.257 CV     1
 ASSI { 1002}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.900     1.900     1.900 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.66704E-03 ppm1      4.659 ppm2      8.140 CV     1
 ASSI { 1003}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.500     0.800     0.800 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.51039E-02 ppm1      4.664 ppm2      3.082 CV     1
 ASSI { 1004}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.700     0.900     0.900 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.47153E-02 ppm1      4.664 ppm2      2.753 CV     1
 ASSI { 1005}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.400     1.400 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.13953E-02 ppm1      2.746 ppm2      8.984 CV     1
 ASSI { 1008}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 38   and name HA  ))
      4.100     2.100     1.900 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.19356E-02 ppm1      3.085 ppm2      3.948 CV     1
 ASSI { 1010}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 38   and name HG1%)
      3.600     1.600     1.600 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.15319E-02 ppm1      3.096 ppm2      0.963 CV     1
 ASSI { 1011}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.600     0.900     0.900 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.56271E-02 ppm1      4.478 ppm2      2.585 CV     1
 ASSI { 1012}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.29289E-02 ppm1      4.479 ppm2      8.383 CV     1
 ASSI { 1015}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      2.500     0.800     0.800 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.51890E-02 ppm1      4.476 ppm2      2.774 CV     1
 ASSI { 1017}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      3.200     1.300     1.300 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.17046E-02 ppm1      2.769 ppm2      8.398 CV     1
 ASSI { 1020}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.000     1.200     1.200 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.19968E-02 ppm1      4.452 ppm2      0.917 CV     1
 ASSI { 1021}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.23274E-02 ppm1      1.612 ppm2      8.213 CV     1
 ASSI { 1027}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.90720E-03 ppm1      1.604 ppm2      3.584 CV     1
 ASSI { 1037}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
      3.800     1.800     1.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.76530E-03 ppm1      3.133 ppm2      1.550 CV     1
 OR { 1037}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 43   and name HE% )
 ASSI { 1040}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HG12))
      3.600     1.600     1.600 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.12665E-02 ppm1      3.132 ppm2      0.928 CV     1
 ASSI { 1041}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 76   and name HD1%)
      3.700     1.700     1.700 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.14233E-02 ppm1      3.148 ppm2      0.593 CV     1
 ASSI { 1043}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 58   and name HN  ))
      4.000     2.000     2.000 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.91369E-03 ppm1      1.681 ppm2      9.870 CV     1
 OR { 1043}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 1044}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HA  ))
      2.800     1.000     1.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.21232E-02 ppm1      1.674 ppm2      4.700 CV     1
 OR { 1044}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 1045}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HG2 ))
      2.600     0.800     0.800 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.35766E-02 ppm1      1.677 ppm2      1.355 CV     1
 OR { 1045}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HG1 ))
 OR { 1045}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HG2 ))
 OR { 1045}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HG1 ))
 ASSI { 1051}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 21   and name HA  ))
      3.700     1.800     1.800 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.76366E-03 ppm1      1.307 ppm2      4.327 CV     1
 OR { 1051}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 1052}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.59244E-02 ppm1      1.533 ppm2      4.809 CV     1
 ASSI { 1053}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.33612E-02 ppm1      1.536 ppm2      8.474 CV     1
 ASSI { 1055}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.600     1.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.90624E-03 ppm1      1.533 ppm2      6.473 CV     1
 ASSI { 1059}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HN  ))
      3.400     1.500     1.500 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.14564E-02 ppm1      0.762 ppm2      7.474 CV     1
 ASSI { 1060}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 37   and name HN  ))
      4.300     2.300     1.700 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.73238E-03 ppm1      0.764 ppm2      7.339 CV     1
 ASSI { 1061}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 27   and name HN  ))
      2.700     2.700     3.300 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.10149E-02 ppm1      0.761 ppm2      6.375 CV     1
 ASSI { 1062}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.19469E-02 ppm1      0.759 ppm2      3.537 CV     1
 ASSI { 1064}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 35   and name HB2 ))
      3.700     1.700     1.700 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.10318E-02 ppm1      0.764 ppm2      2.709 CV     1
 ASSI { 1065}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 25   and name HB2 ))
      2.800     2.800     3.200 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.92969E-03 ppm1      0.761 ppm2      2.583 CV     1
 ASSI { 1066}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HB1 ))
      2.700     0.900     0.900 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.20070E-02 ppm1      0.759 ppm2      2.269 CV     1
 ASSI { 1067}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
      3.000     1.100     1.100 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.11597E-02 ppm1      0.763 ppm2      2.053 CV     1
 ASSI { 1068}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 30   and name HG1 ))
      2.900     1.100     1.100 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.13252E-02 ppm1      0.762 ppm2      1.808 CV     1
 ASSI { 1069}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HB2 ))
      3.200     1.300     1.300 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.34649E-02 ppm1      0.761 ppm2      1.595 CV     1
 ASSI { 1070}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HG  ))
      2.300     0.700     0.700 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.43898E-02 ppm1      0.761 ppm2      1.458 CV     1
 ASSI { 1073}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 26   and name HG2%)
      2.000     0.500     0.500 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.13672E-01 ppm1      0.764 ppm2      0.883 CV     1
 ASSI { 1074}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 36   and name HD1%)
      2.300     0.700     0.700 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.60915E-02 ppm1      0.761 ppm2      0.596 CV     1
 ASSI { 1075}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 69   and name HG1%)
      2.700     2.700     3.300 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.98623E-03 ppm1      0.759 ppm2      0.437 CV     1
 ASSI { 1077}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 70   and name HA2 ))
      2.600     0.800     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.33193E-02 ppm1      0.799 ppm2      3.792 CV     1
 ASSI { 1078}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HG  ))
      2.200     0.600     0.600 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.75893E-02 ppm1      0.801 ppm2      1.755 CV     1
 ASSI { 1079}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
      3.100     1.200     1.200 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.34823E-02 ppm1      0.802 ppm2      1.452 CV     1
 ASSI { 1080}
   (  segid "    " and resid 28   and name HD1%)
   (  segid "    " and resid 8    and name HG2%)
      2.400     0.700     0.700 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.56371E-02 ppm1      0.802 ppm2      1.039 CV     1
 ASSI { 1081}
   (  segid "    " and resid 28   and name HD1%)
   (  segid "    " and resid 69   and name HG2%)
      3.000     1.100     1.100 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.28271E-02 ppm1      0.801 ppm2      0.673 CV     1
 ASSI { 1082}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HA  ))
      2.500     0.800     0.800 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.39935E-02 ppm1      0.798 ppm2      3.578 CV     1
 ASSI { 1083}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 70   and name HA1 ))
      3.100     1.200     1.200 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.26233E-02 ppm1      0.802 ppm2      4.005 CV     1
 ASSI { 1084}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
      3.500     1.600     1.600 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.13718E-02 ppm1      0.805 ppm2      4.162 CV     1
 ASSI { 1085}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 4    and name HE21))
      3.300     1.300     1.300 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.94695E-03 ppm1      0.800 ppm2      6.831 CV     1
 ASSI { 1086}
   (  segid "    " and resid 28   and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
      2.600     0.900     0.900 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.31207E-02 ppm1      0.803 ppm2      1.120 CV     1
 ASSI { 1090}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HB1 ))
      2.500     0.800     0.800 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.26211E-02 ppm1      0.582 ppm2      2.277 CV     1
 ASSI { 1092}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 21   and name HG12))
      2.700     0.900     0.900 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.11383E-02 ppm1      0.584 ppm2      1.311 CV     1
 OR { 1092}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 21   and name HG11))
 ASSI { 1093}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      3.900     1.900     1.900 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.63613E-03 ppm1      0.582 ppm2      3.547 CV     1
 ASSI { 1095}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HB  ))
      2.200     0.600     0.600 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.67211E-02 ppm1      0.912 ppm2      2.212 CV     1
 ASSI { 1096}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 40   and name H8% )
      2.800     1.000     1.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.31380E-02 ppm1      0.914 ppm2      0.661 CV     1
 OR { 1096}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 40   and name H5B ))
 OR { 1096}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 40   and name H6A ))
 OR { 1096}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 40   and name H5A ))
 OR { 1096}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 40   and name H6B ))
 ASSI { 1098}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      2.700     0.900     0.900 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.35163E-02 ppm1      4.214 ppm2      1.669 CV     1
 ASSI { 1099}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.11980E-02 ppm1      4.211 ppm2      8.917 CV     1
 ASSI { 1100}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.100     1.100 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.17060E-02 ppm1      4.651 ppm2      7.483 CV     1
 ASSI { 1101}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.600     0.900     0.900 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.37136E-02 ppm1      4.654 ppm2      2.416 CV     1
 OR { 1101}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 1104}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.300     1.400     1.400 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.10564E-02 ppm1      4.656 ppm2      7.620 CV     1
 ASSI { 1107}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
      3.100     1.200     1.200 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.15048E-02 ppm1      2.414 ppm2      0.342 CV     1
 OR { 1107}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1108}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 59   and name HG1 ))
      3.600     1.600     1.600 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.83621E-03 ppm1      2.407 ppm2      1.958 CV     1
 OR { 1108}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR { 1108}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HG1 ))
 OR { 1108}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 1108}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR { 1108}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 1111}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 59   and name HD1 ))
      2.900     1.000     1.000 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.18321E-02 ppm1      2.417 ppm2      3.830 CV     1
 OR { 1111}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HD1 ))
 OR { 1111}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR { 1111}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 1112}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.800     2.800     3.200 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.20028E-02 ppm1      4.102 ppm2      3.115 CV     1
 ASSI { 1114}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      2.900     1.100     1.100 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.17063E-02 ppm1      2.524 ppm2      8.269 CV     1
 ASSI { 1115}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.600     0.900     0.900 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.29557E-02 ppm1      4.368 ppm2      2.207 CV     1
 ASSI { 1117}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.27016E-02 ppm1      3.891 ppm2      8.504 CV     1
 ASSI { 1118}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.800     0.800 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.17787E-02 ppm1      1.764 ppm2      8.501 CV     1
 ASSI { 1120}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      3.100     1.200     1.200 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.20990E-02 ppm1      1.638 ppm2      8.504 CV     1
 ASSI { 1121}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.800     1.800     1.800 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.20572E-02 ppm1      3.889 ppm2      7.754 CV     1
 ASSI { 1123}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      3.600     1.700     1.700 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.76961E-03 ppm1      1.753 ppm2      8.267 CV     1
 ASSI { 1124}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.600     1.600     1.600 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.84106E-03 ppm1      1.647 ppm2      8.273 CV     1
 ASSI { 1127}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
      2.800     1.000     1.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.27539E-02 ppm1      1.769 ppm2      0.810 CV     1
 OR { 1127}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1128}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
      2.800     1.000     1.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.24518E-02 ppm1      1.636 ppm2      0.813 CV     1
 OR { 1128}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1130}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.300     1.400     1.400 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.12705E-02 ppm1      3.892 ppm2      0.671 CV     1
 ASSI { 1131}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      2.600     0.800     0.800 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.28500E-02 ppm1      3.889 ppm2      0.525 CV     1
 ASSI { 1132}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.600     0.800     0.800 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.23827E-02 ppm1      3.883 ppm2      1.769 CV     1
 ASSI { 1133}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.200     0.600     0.600 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.62004E-02 ppm1      3.893 ppm2      1.627 CV     1
 ASSI { 1136}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      2.800     1.000     1.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.24111E-02 ppm1      0.814 ppm2      3.697 CV     1
 OR { 1136}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 1141}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.000     1.000 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.17312E-02 ppm1      4.513 ppm2      8.629 CV     1
 ASSI { 1142}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.73765E-02 ppm1      4.293 ppm2      8.521 CV     1
 ASSI { 1143}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 16   and name HD22))
      3.000     1.100     1.100 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.18608E-02 ppm1      4.292 ppm2      8.065 CV     1
 ASSI { 1149}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.900     1.000     1.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.13833E-02 ppm1      3.086 ppm2      4.213 CV     1
 ASSI { 1152}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
      3.100     1.200     1.200 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.72337E-03 ppm1      3.147 ppm2      8.513 CV     1
 ASSI { 1154}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      3.800     1.800     1.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.14129E-02 ppm1      3.093 ppm2      8.513 CV     1
 ASSI { 1155}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD% )
      2.900     1.100     1.100 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.15792E-02 ppm1      3.084 ppm2      6.813 CV     1
 ASSI { 1157}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      3.300     1.400     1.400 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.74540E-03 ppm1      4.209 ppm2      2.528 CV     1
 ASSI { 1158}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      1.900     0.500     0.500 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.52409E-02 ppm1      2.734 ppm2      3.433 CV     1
 ASSI { 1160}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      4.200     2.300     1.800 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.32059E-03 ppm1      1.035 ppm2      4.643 CV     1
 ASSI { 1161}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 70   and name HA2 ))
      3.900     1.900     1.900 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.56283E-03 ppm1      1.032 ppm2      3.809 CV     1
 ASSI { 1162}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 69   and name HG1%)
      4.400     2.400     1.600 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.42503E-03 ppm1      1.036 ppm2      0.424 CV     1
 ASSI { 1168}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      6.000     5.400     0.000 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.76802E-04 ppm1      1.035 ppm2      8.158 CV     1
 ASSI { 1170}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      4.500     2.600     1.500 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.64568E-03 ppm1      1.030 ppm2      8.611 CV     1
 ASSI { 1171}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      4.500     2.600     1.500 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.61950E-03 ppm1      1.036 ppm2      9.262 CV     1
 ASSI { 1172}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      4.400     2.400     1.600 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.75952E-03 ppm1      1.031 ppm2      8.916 CV     1
 ASSI { 1175}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HG  ))
      2.400     0.700     0.700 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.57942E-02 ppm1      0.898 ppm2      1.715 CV     1
 ASSI { 1176}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.800     0.800 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.50386E-02 ppm1      0.898 ppm2      4.305 CV     1
 ASSI { 1180}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H42A))
      2.700     2.700     3.300 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.10065E-02 ppm1      1.120 ppm2      3.171 CV     1
 ASSI { 1181}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H37A))
      3.800     1.800     1.800 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.12414E-02 ppm1      1.108 ppm2      3.422 CV     1
 ASSI { 1189}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HG2 ))
      3.400     1.500     1.500 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.20325E-02 ppm1      1.501 ppm2      2.289 CV     1
 ASSI { 1190}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HG1 ))
      3.600     1.600     1.600 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.75311E-03 ppm1      1.497 ppm2      2.848 CV     1
 ASSI { 1193}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 52   and name HG1 ))
      4.300     2.300     1.700 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.11189E-02 ppm1      1.487 ppm2      2.447 CV     1
 ASSI { 1195}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      3.900     1.900     1.900 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.12996E-02 ppm1      1.484 ppm2      7.915 CV     1
 ASSI { 1196}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 54   and name HE% )
      3.400     1.400     1.400 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.58788E-03 ppm1      1.482 ppm2      7.126 CV     1
 ASSI { 1197}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HE21))
      4.900     3.000     1.100 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.40668E-03 ppm1      4.028 ppm2      7.661 CV     1
 ASSI { 1200}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 25   and name HB1 ))
      3.300     1.300     1.300 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.60082E-03 ppm1      3.690 ppm2      2.682 CV     1
 ASSI { 1203}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 21   and name HD1%)
      4.400     2.400     1.600 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.46168E-03 ppm1      3.686 ppm2      0.858 CV     1
 ASSI { 1205}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 21   and name HB  ))
      4.200     2.200     1.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.49955E-03 ppm1      4.040 ppm2      1.618 CV     1
 ASSI { 1206}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 21   and name HB  ))
      3.700     1.700     1.700 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.20985E-03 ppm1      3.698 ppm2      1.596 CV     1
 ASSI { 1208}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HB2 ))
      3.700     1.700     1.700 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.55203E-03 ppm1      3.679 ppm2      1.738 CV     1
 ASSI { 1209}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HB2 ))
      4.200     2.200     1.800 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.77024E-03 ppm1      4.031 ppm2      1.753 CV     1
 ASSI { 1210}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HG2 ))
      2.900     1.100     1.100 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.20942E-02 ppm1      4.033 ppm2      1.934 CV     1
 ASSI { 1211}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HG1 ))
      2.500     0.800     0.800 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.22319E-02 ppm1      4.031 ppm2      2.127 CV     1
 ASSI { 1212}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HB1 ))
      3.900     1.900     1.900 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.99968E-03 ppm1      4.032 ppm2      2.353 CV     1
 ASSI { 1214}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HG1 ))
      3.300     1.300     1.300 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.16619E-02 ppm1      3.682 ppm2      2.134 CV     1
 ASSI { 1215}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HG2 ))
      2.600     0.800     0.800 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.15655E-02 ppm1      3.685 ppm2      1.936 CV     1
 ASSI { 1216}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 81   and name HB% )
      4.600     2.600     1.400 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.27481E-03 ppm1      4.022 ppm2      1.386 CV     1
 ASSI { 1218}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      5.100     3.300     0.900 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.42344E-03 ppm1      1.351 ppm2      3.711 CV     1
 ASSI { 1221}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HB1 ))
      4.000     2.000     2.000 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.75520E-03 ppm1      1.356 ppm2      2.196 CV     1
 OR { 1221}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HG1 ))
 OR { 1221}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HG2 ))
 ASSI { 1223}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      5.000     3.100     1.000 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.37249E-03 ppm1      1.361 ppm2      8.406 CV     1
 ASSI { 1224}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 2    and name HN  ))
      4.400     2.400     1.600 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.48087E-03 ppm1      1.355 ppm2      8.794 CV     1
 ASSI { 1229}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 2    and name HA  ))
      3.500     1.500     1.500 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.13569E-02 ppm1      4.427 ppm2      4.852 CV     1
 ASSI { 1230}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG1 ))
      3.800     1.800     1.800 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.51496E-03 ppm1      4.431 ppm2      4.954 CV     1
 ASSI { 1232}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
      4.800     2.800     1.200 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.25485E-03 ppm1      4.429 ppm2      1.578 CV     1
 ASSI { 1233}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      4.700     2.800     1.300 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.62231E-03 ppm1      4.424 ppm2      2.023 CV     1
 ASSI { 1234}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      5.000     3.100     1.000 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.46348E-03 ppm1      4.426 ppm2      2.188 CV     1
 ASSI { 1236}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      2.400     0.700     0.700 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.39810E-02 ppm1      1.989 ppm2      9.245 CV     1
 ASSI { 1237}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 1    and name HA  ))
      3.700     1.700     1.700 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.71860E-03 ppm1      1.557 ppm2      4.014 CV     1
 ASSI { 1238}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HA  ))
      4.700     2.800     1.300 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.65439E-03 ppm1      1.559 ppm2      4.154 CV     1
 ASSI { 1247}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 4    and name HA  ))
      4.600     2.700     1.400 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.59269E-03 ppm1      1.556 ppm2      3.668 CV     1
 ASSI { 1248}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HG1 ))
      4.500     2.500     1.500 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.66566E-03 ppm1      1.557 ppm2      4.930 CV     1
 ASSI { 1253}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.700     0.900     0.900 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.20776E-02 ppm1      4.174 ppm2      2.455 CV     1
 ASSI { 1255}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.100     1.200     1.200 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.96240E-03 ppm1      4.158 ppm2      1.934 CV     1
 ASSI { 1256}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 41   and name HD1%)
      3.400     1.500     1.500 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.20380E-02 ppm1      4.159 ppm2      0.906 CV     1
 ASSI { 1259}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.100     1.200     1.200 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.12810E-02 ppm1      4.153 ppm2      8.324 CV     1
 ASSI { 1260}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.300     1.400     1.400 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.11077E-02 ppm1      4.160 ppm2      8.139 CV     1
 ASSI { 1261}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.800     1.000     1.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.24738E-02 ppm1      4.154 ppm2      8.983 CV     1
 ASSI { 1264}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
      3.800     1.800     1.800 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.11777E-02 ppm1      4.154 ppm2      4.682 CV     1
 ASSI { 1265}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 33   and name HA  ))
      4.000     2.000     2.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.75562E-03 ppm1      4.154 ppm2      4.534 CV     1
 ASSI { 1283}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.52794E-03 ppm1      0.547 ppm2      9.237 CV     1
 ASSI { 1284}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      4.500     2.500     1.500 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.58113E-03 ppm1      0.551 ppm2      8.631 CV     1
 ASSI { 1286}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HB2 ))
      4.600     2.600     1.400 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.40286E-03 ppm1      0.558 ppm2      1.258 CV     1
 ASSI { 1289}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 2    and name HN  ))
      4.000     2.000     2.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.36966E-03 ppm1      0.528 ppm2      8.837 CV     1
 ASSI { 1294}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 55   and name HB1 ))
      4.600     2.600     1.400 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.26888E-03 ppm1      0.525 ppm2      3.241 CV     1
 ASSI { 1300}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.300     1.300     1.300 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.76693E-03 ppm1      3.368 ppm2      9.237 CV     1
 ASSI { 1301}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 5    and name HA  ))
      2.900     1.000     1.000 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.16611E-02 ppm1      2.011 ppm2      3.935 CV     1
 ASSI { 1307}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 28   and name HA  ))
      3.300     1.400     1.400 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.81761E-03 ppm1      1.036 ppm2      3.596 CV     1
 ASSI { 1313}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 46   and name HN  ))
      2.700     2.700     3.300 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.10585E-02 ppm1      1.503 ppm2      8.058 CV     1
 ASSI { 1315}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 11   and name HG  ))
      3.700     3.700     2.300 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.24775E-02 ppm1      1.502 ppm2      1.987 CV     1
 ASSI { 1316}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 12   and name HN  ))
      4.500     2.600     1.500 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.46922E-03 ppm1      4.047 ppm2      8.916 CV     1
 ASSI { 1317}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 13   and name HN  ))
      4.100     2.100     1.900 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.98586E-03 ppm1      4.044 ppm2      7.938 CV     1
 ASSI { 1318}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.30374E-03 ppm1      3.857 ppm2      7.946 CV     1
 ASSI { 1320}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 54   and name HE% )
      4.700     2.700     1.300 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.56333E-03 ppm1      3.856 ppm2      7.141 CV     1
 ASSI { 1321}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 54   and name HE% )
      3.300     1.300     1.300 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.50817E-03 ppm1      4.046 ppm2      7.158 CV     1
 ASSI { 1324}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 53   and name HB1 ))
      4.000     2.000     2.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.24680E-03 ppm1      4.044 ppm2      1.635 CV     1
 ASSI { 1325}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      4.100     2.100     1.900 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.30638E-03 ppm1      4.240 ppm2      8.911 CV     1
 ASSI { 1327}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.300     1.400     1.400 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.43375E-03 ppm1      2.095 ppm2      4.249 CV     1
 ASSI { 1330}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG  ))
      2.800     1.000     1.000 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.95072E-03 ppm1      1.274 ppm2      1.980 CV     1
 ASSI { 1336}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 52   and name HG2 ))
      5.100     3.200     0.900 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.14984E-03 ppm1      0.849 ppm2      2.227 CV     1
 ASSI { 1338}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 58   and name HG2%)
      3.100     1.200     1.200 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.76601E-03 ppm1      0.842 ppm2      0.332 CV     1
 ASSI { 1339}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HD1 ))
      3.500     1.600     1.600 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.52811E-03 ppm1      0.657 ppm2      2.875 CV     1
 ASSI { 1340}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      4.900     3.000     1.100 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.50847E-03 ppm1      0.838 ppm2      8.378 CV     1
 ASSI { 1341}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      4.000     2.000     2.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.43329E-03 ppm1      0.843 ppm2      8.633 CV     1
 ASSI { 1343}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HN  ))
      4.200     2.200     1.800 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.87516E-03 ppm1      0.581 ppm2      7.467 CV     1
 ASSI { 1352}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 54   and name HE% )
      4.200     2.200     1.800 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.36099E-03 ppm1      1.981 ppm2      7.149 CV     1
 ASSI { 1355}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 46   and name HG2%)
      3.800     1.800     1.800 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.11339E-02 ppm1      1.989 ppm2      0.972 CV     1
 ASSI { 1356}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
      4.900     3.000     1.100 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.50704E-03 ppm1      4.043 ppm2      1.563 CV     1
 ASSI { 1357}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.300     2.300     1.700 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.24001E-03 ppm1      4.043 ppm2      8.674 CV     1
 ASSI { 1358}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.800     1.800     1.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.44711E-03 ppm1      4.046 ppm2      2.095 CV     1
 ASSI { 1361}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      4.100     2.100     1.900 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.51152E-03 ppm1      4.042 ppm2      0.589 CV     1
 ASSI { 1364}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
      5.600     3.900     0.400 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.14917E-03 ppm1      1.672 ppm2      8.785 CV     1
 ASSI { 1365}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HN  ))
      4.400     2.400     1.600 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.64635E-03 ppm1      1.672 ppm2      9.242 CV     1
 ASSI { 1366}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 25   and name HN  ))
      4.300     2.300     1.700 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.35613E-03 ppm1      1.680 ppm2      7.706 CV     1
 ASSI { 1371}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HB1 ))
      4.300     2.300     1.700 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.86201E-03 ppm1      1.678 ppm2      2.090 CV     1
 ASSI { 1372}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.27892E-02 ppm1      3.934 ppm2      8.028 CV     1
 ASSI { 1374}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.900     2.900     3.100 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.19813E-02 ppm1      3.938 ppm2      8.255 CV     1
 ASSI { 1377}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
      2.400     0.700     0.700 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.26527E-02 ppm1      3.573 ppm2      0.653 CV     1
 ASSI { 1380}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.000     1.100     1.100 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.19188E-02 ppm1      3.581 ppm2      1.454 CV     1
 ASSI { 1382}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HD2%)
      3.300     1.400     1.400 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.83897E-03 ppm1      3.575 ppm2      0.901 CV     1
 ASSI { 1384}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.700     0.900     0.900 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.22760E-02 ppm1      3.574 ppm2      1.741 CV     1
 OR { 1384}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI { 1385}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 69   and name HB  ))
      3.100     1.200     1.200 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.34685E-02 ppm1      3.577 ppm2      2.282 CV     1
 ASSI { 1386}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HA  ))
      4.300     2.300     1.700 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.32289E-03 ppm1      3.574 ppm2      4.628 CV     1
 ASSI { 1388}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.000     1.000 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.15724E-02 ppm1      3.574 ppm2      8.469 CV     1
 ASSI { 1391}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      2.800     1.000     1.000 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.55902E-02 ppm1      4.515 ppm2      1.262 CV     1
 ASSI { 1393}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      4.400     2.400     1.600 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.51659E-03 ppm1      4.509 ppm2      7.327 CV     1
 ASSI { 1394}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      4.500     2.600     1.500 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.19170E-03 ppm1      4.512 ppm2      7.675 CV     1
 ASSI { 1399}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      4.900     3.000     1.100 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.31105E-03 ppm1      3.814 ppm2      7.934 CV     1
 ASSI { 1402}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      5.100     3.300     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.52677E-03 ppm1      3.804 ppm2      1.513 CV     1
 ASSI { 1407}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     3.100     2.900 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.12225E-02 ppm1      2.087 ppm2      4.247 CV     1
 ASSI { 1409}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 14   and name HG2%)
      2.500     0.800     0.800 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.24222E-02 ppm1      2.085 ppm2      1.051 CV     1
 OR { 1409}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI { 1417}
   (( segid "    " and resid 14   and name HG12))
   (  segid "    " and resid 49   and name HB% )
      3.000     1.100     1.100 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.10083E-02 ppm1      1.045 ppm2      1.517 CV     1
 ASSI { 1419}
   (( segid "    " and resid 14   and name HG12))
   (  segid "    " and resid 14   and name HD1%)
      2.700     0.900     0.900 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.18593E-02 ppm1      1.050 ppm2      0.727 CV     1
 ASSI { 1420}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
      5.200     3.400     0.800 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.20992E-03 ppm1      1.050 ppm2      3.291 CV     1
 ASSI { 1421}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HG11))
      3.000     1.100     1.100 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.26326E-02 ppm1      1.049 ppm2      1.991 CV     1
 ASSI { 1423}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 18   and name HG11))
      3.000     1.100     1.100 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.14993E-02 ppm1      1.048 ppm2      1.642 CV     1
 OR { 1423}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
 ASSI { 1425}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 18   and name HG12))
      3.000     1.100     1.100 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.11500E-02 ppm1      1.046 ppm2      1.282 CV     1
 ASSI { 1427}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 46   and name HG1%)
      2.800     1.000     1.000 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.47559E-02 ppm1      1.049 ppm2      0.652 CV     1
 ASSI { 1438}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 54   and name HZ  ))
      3.600     1.600     1.600 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.78582E-03 ppm1      0.730 ppm2      7.460 CV     1
 OR { 1438}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
 ASSI { 1440}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      4.100     2.100     1.900 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.50633E-03 ppm1      0.725 ppm2      7.924 CV     1
 ASSI { 1442}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG11))
      2.400     0.700     0.700 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.37206E-02 ppm1      0.727 ppm2      1.975 CV     1
 ASSI { 1447}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.300     1.300 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.90732E-03 ppm1      3.599 ppm2      9.244 CV     1
 ASSI { 1448}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.900     0.900 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.29906E-02 ppm1      3.602 ppm2      8.511 CV     1
 ASSI { 1449}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.200     1.200 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.97794E-03 ppm1      3.600 ppm2      8.674 CV     1
 ASSI { 1450}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      4.900     3.000     1.100 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.34809E-03 ppm1      3.600 ppm2      6.446 CV     1
 ASSI { 1455}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HA  ))
      4.100     2.100     1.900 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.41494E-03 ppm1      3.589 ppm2      4.636 CV     1
 ASSI { 1457}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
      2.700     0.900     0.900 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.34752E-02 ppm1      3.604 ppm2      2.032 CV     1
 ASSI { 1458}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
      4.100     2.100     1.900 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.55022E-03 ppm1      3.610 ppm2      2.353 CV     1
 ASSI { 1465}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      4.900     3.000     1.100 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.48526E-03 ppm1      1.166 ppm2      4.680 CV     1
 ASSI { 1468}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      5.000     3.100     1.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.37346E-03 ppm1      1.162 ppm2      3.811 CV     1
 ASSI { 1470}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      5.100     3.200     0.900 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.49196E-03 ppm1      1.165 ppm2      3.434 CV     1
 ASSI { 1472}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      3.900     1.900     1.900 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.68115E-03 ppm1      1.165 ppm2      8.920 CV     1
 ASSI { 1475}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      5.200     3.300     0.800 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.27800E-03 ppm1      1.165 ppm2      8.460 CV     1
 ASSI { 1477}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 54   and name HE% )
      4.100     2.100     1.900 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.66821E-03 ppm1      1.165 ppm2      7.101 CV     1
 ASSI { 1487}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HG12))
      2.500     0.800     0.800 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.25453E-02 ppm1      0.998 ppm2      1.293 CV     1
 OR { 1487}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HG11))
 ASSI { 1488}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HN  ))
      4.100     2.100     1.900 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.10422E-02 ppm1      0.997 ppm2      6.464 CV     1
 ASSI { 1490}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.800     1.800     1.800 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.17427E-02 ppm1      1.000 ppm2      8.797 CV     1
 ASSI { 1493}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HA  ))
      4.000     2.000     2.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.65887E-03 ppm1      0.998 ppm2      4.661 CV     1
 ASSI { 1495}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.600     1.700     1.700 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.67495E-03 ppm1      4.670 ppm2      8.382 CV     1
 ASSI { 1497}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      3.600     3.600     2.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.18176E-02 ppm1      4.678 ppm2      4.833 CV     1
 ASSI { 1498}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD21))
      3.000     1.100     1.100 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.12390E-02 ppm1      4.671 ppm2      6.860 CV     1
 ASSI { 1504}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      5.500     3.700     0.500 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.51387E-03 ppm1      4.090 ppm2      7.329 CV     1
 ASSI { 1508}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HG12))
      2.700     0.900     0.900 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.28863E-02 ppm1      3.926 ppm2      1.303 CV     1
 ASSI { 1513}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.29938E-02 ppm1      1.639 ppm2      3.925 CV     1
 ASSI { 1516}
   (( segid "    " and resid 18   and name HG11))
   (  segid "    " and resid 18   and name HD1%)
      2.700     0.900     0.900 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.20430E-02 ppm1      1.639 ppm2      0.773 CV     1
 ASSI { 1517}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.300     1.300 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.26524E-02 ppm1      1.637 ppm2      8.212 CV     1
 ASSI { 1519}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      4.300     2.400     1.700 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.58549E-03 ppm1      0.934 ppm2      3.424 CV     1
 ASSI { 1522}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
      5.200     3.400     0.800 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.44246E-03 ppm1      0.940 ppm2      8.337 CV     1
 ASSI { 1523}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      4.700     2.700     1.300 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.44392E-03 ppm1      0.936 ppm2      7.810 CV     1
 ASSI { 1525}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      3.800     1.800     1.800 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.97237E-03 ppm1      0.939 ppm2      3.593 CV     1
 ASSI { 1529}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.92236E-03 ppm1      0.768 ppm2      8.059 CV     1
 ASSI { 1531}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 16   and name HA  ))
      5.000     3.100     1.000 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.21817E-03 ppm1      1.530 ppm2      4.679 CV     1
 ASSI { 1533}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 16   and name HN  ))
      4.600     2.700     1.400 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.38336E-03 ppm1      1.535 ppm2      8.702 CV     1
 ASSI { 1538}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 38   and name HB  ))
      4.500     2.500     1.500 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.28606E-03 ppm1      1.532 ppm2      1.865 CV     1
 ASSI { 1539}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.500     0.800     0.800 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.32304E-02 ppm1      4.081 ppm2      3.136 CV     1
 OR { 1539}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI { 1541}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      2.500     0.800     0.800 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.26491E-02 ppm1      4.080 ppm2      0.585 CV     1
 ASSI { 1543}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      3.600     1.600     1.600 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.97358E-03 ppm1      4.086 ppm2      0.934 CV     1
 ASSI { 1547}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      3.400     1.400     1.400 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.77841E-03 ppm1      3.954 ppm2      1.873 CV     1
 ASSI { 1548}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.100     1.200     1.200 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.15046E-02 ppm1      3.853 ppm2      2.432 CV     1
 ASSI { 1549}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      4.000     2.000     2.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.68350E-03 ppm1      3.849 ppm2      2.764 CV     1
 ASSI { 1550}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.400     0.700     0.700 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.35704E-02 ppm1      4.295 ppm2      2.349 CV     1
 ASSI { 1551}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.200     1.300     1.300 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.16421E-02 ppm1      4.300 ppm2      1.749 CV     1
 ASSI { 1555}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name H28A))
      2.900     1.100     1.100 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.14756E-02 ppm1      0.901 ppm2      3.730 CV     1
 ASSI { 1558}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      3.600     1.600     1.600 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.13782E-02 ppm1      0.906 ppm2      2.067 CV     1
 ASSI { 1562}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H38B))
      4.200     2.200     1.800 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.69631E-03 ppm1      1.264 ppm2      2.445 CV     1
 OR { 1562}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H38A))
 ASSI { 1567}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H4A ))
      3.000     1.100     1.100 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.12191E-02 ppm1      0.411 ppm2      0.735 CV     1
 OR { 1567}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 1570}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 32   and name HE% )
      4.300     2.300     1.700 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.35621E-03 ppm1      0.400 ppm2      7.003 CV     1
 ASSI { 1572}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 67   and name HG2 ))
      5.200     3.300     0.800 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.35455E-03 ppm1      0.404 ppm2      1.463 CV     1
 ASSI { 1573}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HB1 ))
      4.000     2.000     2.000 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.52112E-03 ppm1      0.520 ppm2      2.327 CV     1
 ASSI { 1575}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HG12))
      4.500     2.600     1.500 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.68375E-03 ppm1      0.514 ppm2      0.286 CV     1
 ASSI { 1576}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 76   and name HD1%)
      2.300     0.600     0.600 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.56455E-02 ppm1      0.511 ppm2      0.608 CV     1
 ASSI { 1578}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      4.400     2.400     1.600 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.76873E-03 ppm1      4.364 ppm2      7.690 CV     1
 ASSI { 1580}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.100     1.100 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.94883E-03 ppm1      2.281 ppm2      4.370 CV     1
 ASSI { 1583}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HG  ))
      3.300     1.300     1.300 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.10818E-02 ppm1      2.285 ppm2      1.459 CV     1
 ASSI { 1584}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.10094E-02 ppm1      1.594 ppm2      4.084 CV     1
 ASSI { 1587}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      4.200     2.200     1.800 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.27909E-03 ppm1      1.602 ppm2      7.998 CV     1
 ASSI { 1588}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
      3.000     1.100     1.100 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.12312E-02 ppm1      1.592 ppm2      0.585 CV     1
 ASSI { 1592}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 32   and name HD% )
      3.600     1.600     1.600 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.64078E-03 ppm1      0.580 ppm2      7.181 CV     1
 ASSI { 1594}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 32   and name HB1 ))
      4.700     2.700     1.300 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.26141E-03 ppm1      0.573 ppm2      3.148 CV     1
 ASSI { 1598}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
      5.000     3.100     1.000 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.31073E-03 ppm1      0.764 ppm2      4.501 CV     1
 ASSI { 1599}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 38   and name HA  ))
      5.300     3.600     0.700 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.15814E-03 ppm1      4.664 ppm2      3.973 CV     1
 ASSI { 1614}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HB1 ))
      1.900     0.500     0.500 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.58030E-02 ppm1      3.655 ppm2      3.964 CV     1
 ASSI { 1619}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.000     1.100     1.100 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.21362E-02 ppm1      3.946 ppm2      7.933 CV     1
 ASSI { 1621}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.600     1.600     1.600 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.57485E-03 ppm1      3.941 ppm2      7.002 CV     1
 ASSI { 1626}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.800     1.000     1.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.29943E-02 ppm1      3.945 ppm2      2.088 CV     1
 ASSI { 1629}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      3.900     1.900     1.900 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.12673E-02 ppm1      1.503 ppm2      4.838 CV     1
 ASSI { 1630}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.500     1.500 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.14216E-02 ppm1      1.510 ppm2      8.178 CV     1
 ASSI { 1631}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 81   and name HN  ))
      3.500     1.500     1.500 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.88320E-03 ppm1      1.512 ppm2      8.295 CV     1
 ASSI { 1636}
   (  segid "    " and resid 9    and name HB% )
   (  segid "    " and resid 8    and name HG1%)
      3.600     1.600     1.600 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.20900E-02 ppm1      1.517 ppm2      0.893 CV     1
 ASSI { 1637}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HA  ))
      3.700     1.700     1.700 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.25333E-02 ppm1      1.538 ppm2      3.946 CV     1
 ASSI { 1642}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H28A))
      2.900     2.900     3.100 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.64333E-03 ppm1      1.537 ppm2      3.721 CV     1
 ASSI { 1643}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 44   and name HA  ))
      3.500     1.500     1.500 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.73116E-03 ppm1      1.539 ppm2      3.592 CV     1
 ASSI { 1646}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H42A))
      2.600     0.800     0.800 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.23801E-02 ppm1      1.539 ppm2      3.141 CV     1
 ASSI { 1647}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H43A))
      3.500     1.500     1.500 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.11002E-02 ppm1      1.537 ppm2      2.827 CV     1
 OR { 1647}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H43B))
 ASSI { 1650}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H38A))
      3.000     1.100     1.100 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.25010E-02 ppm1      1.539 ppm2      2.461 CV     1
 OR { 1650}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H38B))
 OR { 1650}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H2A ))
 OR { 1650}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H2B ))
 ASSI { 1651}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HG2 ))
      2.500     0.800     0.800 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.44468E-02 ppm1      1.538 ppm2      2.275 CV     1
 ASSI { 1652}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HB2 ))
      3.300     1.400     1.400 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.49000E-02 ppm1      1.538 ppm2      1.918 CV     1
 ASSI { 1653}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HB1 ))
      2.400     0.700     0.700 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.30490E-02 ppm1      1.538 ppm2      2.079 CV     1
 ASSI { 1654}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H4A ))
      3.000     1.100     1.100 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.30657E-02 ppm1      1.538 ppm2      0.759 CV     1
 OR { 1654}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 1655}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H5B ))
      2.500     0.800     0.800 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.54545E-02 ppm1      1.539 ppm2      0.680 CV     1
 OR { 1655}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H5A ))
 OR { 1655}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H6A ))
 OR { 1655}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H6B ))
 ASSI { 1657}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H3B ))
      2.800     1.000     1.000 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.19183E-02 ppm1      1.538 ppm2      1.235 CV     1
 OR { 1657}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H3A ))
 ASSI { 1658}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 44   and name HN  ))
      3.700     1.700     1.700 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.84500E-03 ppm1      1.536 ppm2      7.319 CV     1
 ASSI { 1659}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 32   and name HD% )
      2.500     2.500     3.500 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.15600E-02 ppm1      1.538 ppm2      7.189 CV     1
 ASSI { 1664}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 47   and name HN  ))
      3.600     1.600     1.600 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.12816E-02 ppm1      1.537 ppm2      7.931 CV     1
 ASSI { 1665}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HN  ))
      4.400     2.400     1.600 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.13301E-02 ppm1      1.540 ppm2      8.319 CV     1
 ASSI { 1666}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 66   and name HN  ))
      3.600     3.600     2.400 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.13434E-02 ppm1      1.539 ppm2      7.722 CV     1
 ASSI { 1667}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HG1 ))
      3.000     1.100     1.100 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.37138E-02 ppm1      1.538 ppm2      2.351 CV     1
 ASSI { 1668}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H41A))
      3.400     1.400     1.400 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.10510E-02 ppm1      1.539 ppm2      8.182 CV     1
 ASSI { 1669}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     1.500     1.500 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.18469E-02 ppm1      4.148 ppm2      8.988 CV     1
 ASSI { 1670}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.300     1.300 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.14124E-02 ppm1      4.117 ppm2      8.986 CV     1
 ASSI { 1671}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name H31%)
      3.500     1.500     1.500 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.13814E-02 ppm1      4.148 ppm2      0.874 CV     1
 ASSI { 1672}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name H31%)
      4.000     2.000     2.000 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.96165E-03 ppm1      4.116 ppm2      0.875 CV     1
 ASSI { 1673}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.600     1.700     1.700 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.63483E-03 ppm1      4.149 ppm2      8.143 CV     1
 ASSI { 1674}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.800     1.800     1.800 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.40498E-03 ppm1      4.115 ppm2      8.141 CV     1
 ASSI { 1675}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      4.500     2.500     1.500 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.52183E-03 ppm1      4.150 ppm2      4.696 CV     1
 ASSI { 1680}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 80   and name HA  ))
      3.900     1.900     1.900 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.31090E-03 ppm1      1.995 ppm2      4.418 CV     1
 ASSI { 1684}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.78138E-03 ppm1      2.289 ppm2      8.173 CV     1
 ASSI { 1687}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      4.800     2.900     1.200 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.36646E-03 ppm1      5.251 ppm2      9.445 CV     1
 ASSI { 1688}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      4.400     2.400     1.600 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.41233E-03 ppm1      5.252 ppm2      7.480 CV     1
 ASSI { 1689}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.300     2.300     1.700 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.31284E-03 ppm1      5.249 ppm2      2.045 CV     1
 OR { 1689}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1693}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.600     1.600     1.600 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.61653E-03 ppm1      4.497 ppm2      8.007 CV     1
 ASSI { 1695}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.900     0.900 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.30866E-02 ppm1      4.031 ppm2      9.246 CV     1
 ASSI { 1697}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.16786E-02 ppm1      4.040 ppm2      7.729 CV     1
 ASSI { 1698}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.400     1.400     1.400 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.10729E-02 ppm1      4.317 ppm2      7.488 CV     1
 ASSI { 1702}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.800     1.800     1.800 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.50223E-03 ppm1      4.316 ppm2      7.615 CV     1
 ASSI { 1703}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.400     1.400     1.400 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.81246E-03 ppm1      4.317 ppm2      7.027 CV     1
 ASSI { 1705}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HG1 ))
      4.700     2.800     1.300 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.68501E-03 ppm1      4.317 ppm2      2.112 CV     1
 ASSI { 1707}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      3.600     1.600     1.600 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.57029E-03 ppm1      4.476 ppm2      7.182 CV     1
 ASSI { 1711}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HG1 ))
      3.000     1.100     1.100 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.87382E-03 ppm1      4.354 ppm2      5.391 CV     1
 ASSI { 1717}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 69   and name HB  ))
      5.600     3.900     0.400 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.36081E-03 ppm1      4.350 ppm2      2.289 CV     1
 ASSI { 1718}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HB2 ))
      2.700     0.900     0.900 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.38682E-02 ppm1      1.052 ppm2      2.039 CV     1
 OR { 1718}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1722}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
      4.000     2.000     2.000 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.15324E-02 ppm1      1.050 ppm2      8.356 CV     1
 ASSI { 1724}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 31   and name HN  ))
      3.600     1.700     1.700 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.10255E-02 ppm1      1.051 ppm2     10.168 CV     1
 ASSI { 1725}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      3.900     1.900     1.900 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.16746E-02 ppm1      1.054 ppm2      8.206 CV     1
 ASSI { 1727}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      4.200     2.200     1.800 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.58206E-03 ppm1      3.403 ppm2      7.214 CV     1
 ASSI { 1728}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.700     1.700     1.700 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.47412E-03 ppm1      3.402 ppm2      9.412 CV     1
 ASSI { 1730}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.17363E-02 ppm1      3.395 ppm2      8.171 CV     1
 ASSI { 1732}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.800     1.800     1.800 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.59483E-03 ppm1      3.394 ppm2      8.665 CV     1
 ASSI { 1736}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
      4.400     2.400     1.600 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.30283E-03 ppm1      3.398 ppm2      5.273 CV     1
 ASSI { 1740}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 44   and name HA  ))
      2.800     2.800     3.200 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.30414E-02 ppm1      2.272 ppm2      3.577 CV     1
 ASSI { 1743}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 46   and name HG1%)
      2.400     0.700     0.700 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.37085E-02 ppm1      2.276 ppm2      0.661 CV     1
 ASSI { 1745}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 70   and name HA1 ))
      5.600     3.900     0.400 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.42416E-03 ppm1      0.437 ppm2      3.995 CV     1
 ASSI { 1748}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 72   and name HB% )
      4.000     2.000     2.000 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.88232E-03 ppm1      0.435 ppm2      1.597 CV     1
 ASSI { 1749}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 36   and name HG  ))
      2.900     2.900     3.100 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.74871E-03 ppm1      0.437 ppm2      1.489 CV     1
 ASSI { 1750}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 30   and name HB2 ))
      2.900     1.100     1.100 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.93396E-03 ppm1      0.438 ppm2      1.377 CV     1
 ASSI { 1751}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 32   and name HD% )
      3.900     1.900     1.900 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.45180E-03 ppm1      0.432 ppm2      7.204 CV     1
 ASSI { 1753}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 68   and name HG1 ))
      5.900     4.400     0.100 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.21544E-03 ppm1      0.435 ppm2      5.367 CV     1
 ASSI { 1755}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 31   and name HA  ))
      3.600     1.600     1.600 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.33875E-03 ppm1      0.440 ppm2      4.940 CV     1
 ASSI { 1757}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 65   and name HB2 ))
      3.600     1.600     1.600 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.18833E-03 ppm1      0.601 ppm2      2.746 CV     1
 ASSI { 1758}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 63   and name HA  ))
      2.900     2.900     3.100 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.73045E-03 ppm1      0.608 ppm2      3.232 CV     1
 ASSI { 1761}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 70   and name HA1 ))
      4.300     2.300     1.700 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.56208E-03 ppm1      0.642 ppm2      4.007 CV     1
 ASSI { 1764}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 7    and name HG12))
      5.400     3.600     0.600 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.24089E-03 ppm1      1.103 ppm2      0.276 CV     1
 ASSI { 1765}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 69   and name HG2%)
      3.200     1.300     1.300 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.11416E-02 ppm1      1.103 ppm2      0.665 CV     1
 ASSI { 1769}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      2.800     2.800     3.200 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.88362E-03 ppm1      1.100 ppm2      9.429 CV     1
 ASSI { 1772}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      3.900     1.900     1.900 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.59801E-03 ppm1      0.584 ppm2      8.645 CV     1
 ASSI { 1773}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      5.700     4.100     0.300 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.24585E-03 ppm1      0.588 ppm2      8.275 CV     1
 ASSI { 1777}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 59   and name HD1 ))
      5.200     3.400     0.800 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.61460E-03 ppm1      0.588 ppm2      3.831 CV     1
 OR { 1777}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 1780}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
      4.000     2.000     2.000 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.52752E-03 ppm1      3.679 ppm2      0.864 CV     1
 OR { 1780}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 1781}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.600     1.600     1.600 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.54239E-03 ppm1      3.677 ppm2      8.513 CV     1
 ASSI { 1784}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.82666E-03 ppm1      4.176 ppm2      7.993 CV     1
 ASSI { 1785}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 32   and name HN  ))
      4.700     2.700     1.300 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.37116E-03 ppm1      4.194 ppm2      8.203 CV     1
 ASSI { 1789}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 40   and name H4B ))
      4.600     2.600     1.400 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.55651E-03 ppm1      4.099 ppm2      0.736 CV     1
 OR { 1789}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 40   and name H4A ))
 ASSI { 1794}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 75   and name HD% )
      3.800     1.800     1.800 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.13139E-03 ppm1      0.514 ppm2      6.811 CV     1
 ASSI { 1796}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      4.800     2.900     1.200 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.30949E-03 ppm1      0.516 ppm2      3.738 CV     1
 ASSI { 1801}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 57   and name HA  ))
      3.100     3.100     2.900 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.44719E-03 ppm1      0.339 ppm2      4.723 CV     1
 ASSI { 1805}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 51   and name HG1 ))
      5.100     3.300     0.900 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.40724E-03 ppm1      0.338 ppm2      2.865 CV     1
 ASSI { 1810}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.84827E-03 ppm1      3.924 ppm2      7.931 CV     1
 ASSI { 1812}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 47   and name HN  ))
      3.900     1.900     1.900 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.17191E-02 ppm1      2.059 ppm2      7.927 CV     1
 ASSI { 1815}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.12942E-02 ppm1      2.054 ppm2      4.383 CV     1
 ASSI { 1817}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 48   and name HN  ))
      2.600     0.900     0.900 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.24535E-02 ppm1      0.988 ppm2      7.809 CV     1
 ASSI { 1818}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
      3.400     1.500     1.500 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.24658E-02 ppm1      0.987 ppm2      7.934 CV     1
 ASSI { 1824}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      5.500     3.800     0.500 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.18187E-03 ppm1      3.304 ppm2      8.071 CV     1
 ASSI { 1825}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.11672E-02 ppm1      3.416 ppm2      7.927 CV     1
 ASSI { 1827}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.61142E-03 ppm1      0.978 ppm2      3.283 CV     1
 ASSI { 1828}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      3.400     1.400     1.400 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.15588E-02 ppm1      0.976 ppm2      7.933 CV     1
 ASSI { 1839}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 62   and name HN  ))
      4.800     2.900     1.200 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.43819E-03 ppm1      1.985 ppm2      7.483 CV     1
 ASSI { 1841}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.800     1.800     1.800 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.44970E-03 ppm1      3.234 ppm2      7.276 CV     1
 ASSI { 1843}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 59   and name HD1 ))
      3.900     3.900     2.100 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.72852E-03 ppm1      3.225 ppm2      3.806 CV     1
 OR { 1843}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 1848}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 51   and name HG1 ))
      3.100     1.200     1.200 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.93622E-03 ppm1      0.914 ppm2      2.842 CV     1
 ASSI { 1853}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HA  ))
      3.600     1.600     1.600 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.57577E-03 ppm1      1.467 ppm2      3.948 CV     1
 OR { 1853}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {    2}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.100     1.200     1.200 peak     2 spectrum    1 weight  0.10000E+01 volume  0.10151E-02 ppm1      8.826 ppm2      4.818 CV     1
 ASSI {    3}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 80   and name HE22))
      3.400     1.500     1.500 peak     3 spectrum    1 weight  0.10000E+01 volume  0.42013E-03 ppm1      8.829 ppm2      7.735 CV     1
 ASSI {    4}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      3.700     1.700     1.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.96290E-03 ppm1      8.825 ppm2      7.633 CV     1
 ASSI {    8}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.700     1.700     1.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.23420E-02 ppm1      8.529 ppm2      2.484 CV     1
 ASSI {    9}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      4.200     2.200     1.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.79859E-03 ppm1      8.530 ppm2      2.375 CV     1
 OR {    9}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {   10}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.400     0.700     0.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.12375E-02 ppm1      8.533 ppm2      2.112 CV     1
 ASSI {   11}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.300     0.600     0.600 peak    11 spectrum    1 weight  0.10000E+01 volume  0.58691E-02 ppm1      8.531 ppm2      4.821 CV     1
 ASSI {   12}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.300     1.400     1.400 peak    12 spectrum    1 weight  0.10000E+01 volume  0.49963E-03 ppm1      8.531 ppm2      4.721 CV     1
 ASSI {   14}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.400     1.400     1.400 peak    14 spectrum    1 weight  0.10000E+01 volume  0.82326E-03 ppm1      8.532 ppm2      7.694 CV     1
 ASSI {   15}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.000     1.100     1.100 peak    15 spectrum    1 weight  0.10000E+01 volume  0.12102E-02 ppm1      9.227 ppm2      8.861 CV     1
 ASSI {   17}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      4.200     2.200     1.800 peak    17 spectrum    1 weight  0.10000E+01 volume  0.42093E-03 ppm1      9.224 ppm2      8.524 CV     1
 ASSI {   18}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      5.100     3.300     0.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.14942E-03 ppm1      9.223 ppm2      7.691 CV     1
 ASSI {   26}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.600     0.800     0.800 peak    26 spectrum    1 weight  0.10000E+01 volume  0.28831E-02 ppm1      9.228 ppm2      2.174 CV     1
 OR {   26}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {   28}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      3.700     1.700     1.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.11774E-02 ppm1      8.855 ppm2      2.480 CV     1
 ASSI {   31}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.900     1.100     1.100 peak    31 spectrum    1 weight  0.10000E+01 volume  0.15712E-02 ppm1      8.856 ppm2      2.169 CV     1
 OR {   31}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {   32}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.600     0.800     0.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.41905E-02 ppm1      8.857 ppm2      2.069 CV     1
 ASSI {   33}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.700     0.900     0.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.27339E-02 ppm1      8.856 ppm2      1.996 CV     1
 ASSI {   35}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      5.300     3.500     0.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.11642E-03 ppm1      8.859 ppm2      1.047 CV     1
 ASSI {   37}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.300     1.400     1.400 peak    37 spectrum    1 weight  0.10000E+01 volume  0.92370E-03 ppm1      8.856 ppm2      3.701 CV     1
 ASSI {   41}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.800     0.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.25487E-02 ppm1      8.856 ppm2      7.689 CV     1
 ASSI {   46}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.800     1.000     1.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.22032E-02 ppm1      7.686 ppm2      4.131 CV     1
 ASSI {   50}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      2.900     1.000     1.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.25389E-02 ppm1      7.686 ppm2      2.415 CV     1
 OR {   50}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {   53}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      5.100     3.200     0.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.26944E-03 ppm1      7.684 ppm2      1.786 CV     1
 ASSI {   56}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      2.400     0.700     0.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.37359E-02 ppm1      7.686 ppm2      8.397 CV     1
 ASSI {   59}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.100     1.200     1.200 peak    59 spectrum    1 weight  0.10000E+01 volume  0.15767E-02 ppm1      8.394 ppm2      3.885 CV     1
 ASSI {   60}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.700     1.700     1.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.70670E-03 ppm1      8.395 ppm2      3.705 CV     1
 ASSI {   61}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      2.700     2.700     3.300 peak    61 spectrum    1 weight  0.10000E+01 volume  0.11602E-02 ppm1      8.398 ppm2      2.480 CV     1
 ASSI {   62}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      4.600     2.700     1.400 peak    62 spectrum    1 weight  0.10000E+01 volume  0.35263E-03 ppm1      8.391 ppm2      2.374 CV     1
 ASSI {   63}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.200     1.300     1.300 peak    63 spectrum    1 weight  0.10000E+01 volume  0.90770E-03 ppm1      8.399 ppm2      2.112 CV     1
 ASSI {   65}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      3.400     1.400     1.400 peak    65 spectrum    1 weight  0.10000E+01 volume  0.33584E-02 ppm1      8.397 ppm2      1.549 CV     1
 ASSI {   66}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      4.700     2.700     1.300 peak    66 spectrum    1 weight  0.10000E+01 volume  0.48660E-03 ppm1      8.400 ppm2      1.105 CV     1
 ASSI {   67}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      3.600     1.600     1.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.19656E-02 ppm1      8.395 ppm2      0.537 CV     1
 ASSI {   68}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG12))
      2.800     1.000     1.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.13092E-02 ppm1      8.396 ppm2      0.273 CV     1
 ASSI {   69}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      2.400     0.700     0.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.35501E-02 ppm1      8.381 ppm2      2.018 CV     1
 ASSI {   70}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.400     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.23666E-02 ppm1      8.377 ppm2      1.789 CV     1
 ASSI {   71}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      4.500     2.500     1.500 peak    71 spectrum    1 weight  0.10000E+01 volume  0.85505E-03 ppm1      8.377 ppm2      1.528 CV     1
 ASSI {   75}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.000     1.100     1.100 peak    75 spectrum    1 weight  0.10000E+01 volume  0.13101E-02 ppm1      8.383 ppm2      0.548 CV     1
 ASSI {   77}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.600     0.800     0.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.21603E-02 ppm1      8.379 ppm2      3.378 CV     1
 ASSI {   81}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
      3.300     1.400     1.400 peak    81 spectrum    1 weight  0.10000E+01 volume  0.15316E-02 ppm1      7.727 ppm2      0.887 CV     1
 ASSI {   82}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HB% )
      2.300     0.700     0.700 peak    82 spectrum    1 weight  0.10000E+01 volume  0.78347E-02 ppm1      7.727 ppm2      1.516 CV     1
 ASSI {   83}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      2.500     0.800     0.800 peak    83 spectrum    1 weight  0.10000E+01 volume  0.29408E-02 ppm1      7.728 ppm2      2.012 CV     1
 ASSI {   84}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      4.400     2.500     1.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.43559E-03 ppm1      7.724 ppm2      1.678 CV     1
 ASSI {   85}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.28663E-02 ppm1      7.728 ppm2      4.220 CV     1
 ASSI {   86}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.400     1.400     1.400 peak    86 spectrum    1 weight  0.10000E+01 volume  0.96718E-03 ppm1      7.728 ppm2      4.130 CV     1
 ASSI {   87}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.700     1.700     1.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.50440E-03 ppm1      7.723 ppm2      3.897 CV     1
 ASSI {   90}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.56145E-03 ppm1      7.729 ppm2      9.243 CV     1
 ASSI {   93}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.800     1.800     1.800 peak    93 spectrum    1 weight  0.10000E+01 volume  0.51751E-03 ppm1      8.386 ppm2      4.130 CV     1
 ASSI {   95}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      2.700     0.900     0.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.44120E-02 ppm1      8.388 ppm2      3.868 CV     1
 ASSI {   96}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 54   and name HZ  ))
      3.900     1.900     1.900 peak    96 spectrum    1 weight  0.10000E+01 volume  0.69234E-03 ppm1      8.387 ppm2      7.453 CV     1
 OR {   96}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
 ASSI {   97}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.26297E-02 ppm1      8.388 ppm2      7.729 CV     1
 ASSI {   99}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.100     2.100     1.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.61204E-03 ppm1      8.391 ppm2      8.901 CV     1
 ASSI {  102}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      5.200     3.300     0.800 peak   102 spectrum    1 weight  0.10000E+01 volume  0.37623E-03 ppm1      8.386 ppm2      2.103 CV     1
 ASSI {  103}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.900     1.900     1.900 peak   103 spectrum    1 weight  0.10000E+01 volume  0.38883E-03 ppm1      8.385 ppm2      3.379 CV     1
 ASSI {  111}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      5.100     3.200     0.900 peak   111 spectrum    1 weight  0.10000E+01 volume  0.21035E-03 ppm1      9.223 ppm2      1.186 CV     1
 ASSI {  121}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      3.300     1.300     1.300 peak   121 spectrum    1 weight  0.10000E+01 volume  0.15073E-02 ppm1      9.224 ppm2      3.871 CV     1
 ASSI {  123}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak   123 spectrum    1 weight  0.10000E+01 volume  0.27441E-02 ppm1      8.388 ppm2      9.227 CV     1
 ASSI {  124}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      4.000     2.000     2.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.35826E-03 ppm1      8.388 ppm2      7.133 CV     1
 ASSI {  125}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.200     1.300     1.300 peak   125 spectrum    1 weight  0.10000E+01 volume  0.31914E-02 ppm1      9.225 ppm2      2.110 CV     1
 ASSI {  126}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      2.400     0.700     0.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.25908E-02 ppm1      9.227 ppm2      1.993 CV     1
 ASSI {  127}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.600     0.800     0.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.16361E-02 ppm1      9.225 ppm2      1.282 CV     1
 ASSI {  129}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 9    and name HB% )
      3.100     3.100     2.900 peak   129 spectrum    1 weight  0.10000E+01 volume  0.45251E-03 ppm1      9.228 ppm2      1.505 CV     1
 ASSI {  130}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      4.400     2.400     1.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.39225E-03 ppm1      9.229 ppm2      7.136 CV     1
 ASSI {  131}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 54   and name HZ  ))
      3.000     1.100     1.100 peak   131 spectrum    1 weight  0.10000E+01 volume  0.85116E-03 ppm1      9.224 ppm2      7.463 CV     1
 ASSI {  132}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.100     2.100     1.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.30996E-03 ppm1      9.224 ppm2      7.939 CV     1
 ASSI {  135}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.800     0.800 peak   135 spectrum    1 weight  0.10000E+01 volume  0.29787E-02 ppm1      9.225 ppm2      8.919 CV     1
 ASSI {  138}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.900     1.000     1.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.85480E-03 ppm1      8.917 ppm2      1.284 CV     1
 ASSI {  141}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.300     1.400     1.400 peak   141 spectrum    1 weight  0.10000E+01 volume  0.19976E-02 ppm1      8.917 ppm2      2.109 CV     1
 ASSI {  143}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.300     2.300     1.700 peak   143 spectrum    1 weight  0.10000E+01 volume  0.44334E-03 ppm1      8.912 ppm2      3.391 CV     1
 ASSI {  146}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      4.600     2.600     1.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.24823E-03 ppm1      8.918 ppm2      3.860 CV     1
 ASSI {  152}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      3.400     1.500     1.500 peak   152 spectrum    1 weight  0.10000E+01 volume  0.20663E-02 ppm1      7.936 ppm2      2.612 CV     1
 ASSI {  153}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      2.500     0.800     0.800 peak   153 spectrum    1 weight  0.10000E+01 volume  0.44669E-02 ppm1      7.936 ppm2      2.294 CV     1
 OR {  153}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  154}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.700     0.900     0.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.22793E-02 ppm1      7.936 ppm2      2.214 CV     1
 ASSI {  155}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.24510E-02 ppm1      7.935 ppm2      8.918 CV     1
 ASSI {  156}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      2.700     0.900     0.900 peak   156 spectrum    1 weight  0.10000E+01 volume  0.33607E-02 ppm1      7.935 ppm2      1.678 CV     1
 ASSI {  161}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.22005E-02 ppm1      8.157 ppm2      8.791 CV     1
 ASSI {  162}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.900     0.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.19442E-02 ppm1      8.157 ppm2      7.939 CV     1
 ASSI {  168}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
      2.300     0.600     0.600 peak   168 spectrum    1 weight  0.10000E+01 volume  0.46105E-02 ppm1      8.158 ppm2      2.090 CV     1
 ASSI {  169}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG11))
      2.800     1.000     1.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.31985E-02 ppm1      8.158 ppm2      1.985 CV     1
 ASSI {  170}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
      3.400     1.400     1.400 peak   170 spectrum    1 weight  0.10000E+01 volume  0.33544E-02 ppm1      8.160 ppm2      1.051 CV     1
 OR {  170}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI {  173}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.400     0.700     0.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.48396E-02 ppm1      8.372 ppm2      2.257 CV     1
 OR {  173}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  174}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.000     1.200     1.200 peak   174 spectrum    1 weight  0.10000E+01 volume  0.29845E-02 ppm1      8.372 ppm2      2.131 CV     1
 ASSI {  175}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.800     1.800     1.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.11122E-02 ppm1      8.372 ppm2      2.418 CV     1
 ASSI {  176}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.500     1.500     1.500 peak   176 spectrum    1 weight  0.10000E+01 volume  0.21374E-02 ppm1      8.372 ppm2      2.741 CV     1
 ASSI {  177}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.800     1.000     1.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.13058E-02 ppm1      8.374 ppm2      3.103 CV     1
 ASSI {  178}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.500     2.500     1.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.34693E-03 ppm1      8.373 ppm2      3.611 CV     1
 ASSI {  179}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.200     3.200     2.800 peak   179 spectrum    1 weight  0.10000E+01 volume  0.43429E-02 ppm1      8.372 ppm2      3.926 CV     1
 ASSI {  180}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.200     1.300     1.300 peak   180 spectrum    1 weight  0.10000E+01 volume  0.97882E-03 ppm1      8.372 ppm2      3.822 CV     1
 ASSI {  182}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.23677E-02 ppm1      8.373 ppm2      8.689 CV     1
 ASSI {  194}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.27113E-02 ppm1      8.205 ppm2      3.929 CV     1
 ASSI {  195}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.600     1.600     1.600 peak   195 spectrum    1 weight  0.10000E+01 volume  0.90092E-03 ppm1      8.203 ppm2      3.593 CV     1
 ASSI {  196}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.300     1.400     1.400 peak   196 spectrum    1 weight  0.10000E+01 volume  0.14955E-02 ppm1      8.202 ppm2      2.260 CV     1
 OR {  196}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {  197}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.400     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.17124E-02 ppm1      8.206 ppm2      2.126 CV     1
 ASSI {  198}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.700     1.700     1.700 peak   198 spectrum    1 weight  0.10000E+01 volume  0.49858E-03 ppm1      8.208 ppm2      2.420 CV     1
 ASSI {  199}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.100     0.600     0.600 peak   199 spectrum    1 weight  0.10000E+01 volume  0.68894E-02 ppm1      8.206 ppm2      1.629 CV     1
 OR {  199}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  200}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      5.100     3.200     0.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.38893E-03 ppm1      8.209 ppm2      1.538 CV     1
 ASSI {  201}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
      2.900     1.000     1.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.14795E-02 ppm1      8.209 ppm2      1.312 CV     1
 ASSI {  203}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.000     2.000     2.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.85560E-03 ppm1      8.209 ppm2      0.766 CV     1
 ASSI {  204}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   204 spectrum    1 weight  0.10000E+01 volume  0.34056E-02 ppm1      8.203 ppm2      8.471 CV     1
 ASSI {  205}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak   205 spectrum    1 weight  0.10000E+01 volume  0.23416E-02 ppm1      8.208 ppm2      8.373 CV     1
 ASSI {  207}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.100     1.100 peak   207 spectrum    1 weight  0.10000E+01 volume  0.15731E-02 ppm1      8.467 ppm2      4.811 CV     1
 ASSI {  208}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.300     1.300 peak   208 spectrum    1 weight  0.10000E+01 volume  0.12413E-02 ppm1      8.468 ppm2      3.933 CV     1
 ASSI {  209}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.500     1.600     1.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.11276E-02 ppm1      8.469 ppm2      3.605 CV     1
 ASSI {  210}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.300     0.700     0.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.27542E-02 ppm1      8.469 ppm2      1.626 CV     1
 ASSI {  215}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     0.600     0.600 peak   215 spectrum    1 weight  0.10000E+01 volume  0.39944E-02 ppm1      8.469 ppm2      7.810 CV     1
 ASSI {  216}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.500     2.500     1.500 peak   216 spectrum    1 weight  0.10000E+01 volume  0.41327E-03 ppm1      8.466 ppm2      6.463 CV     1
 ASSI {  217}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.67064E-03 ppm1      8.466 ppm2      8.652 CV     1
 ASSI {  221}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
      3.400     1.500     1.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.11095E-02 ppm1      6.462 ppm2      4.052 CV     1
 ASSI {  222}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      3.100     1.200     1.200 peak   222 spectrum    1 weight  0.10000E+01 volume  0.93911E-03 ppm1      6.462 ppm2      3.940 CV     1
 ASSI {  227}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
      1.900     0.500     0.500 peak   227 spectrum    1 weight  0.10000E+01 volume  0.44438E-02 ppm1      6.462 ppm2      1.304 CV     1
 OR {  227}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI {  228}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      2.900     1.000     1.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.39701E-02 ppm1      6.462 ppm2      1.605 CV     1
 ASSI {  229}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.200     1.300     1.300 peak   229 spectrum    1 weight  0.10000E+01 volume  0.21082E-02 ppm1      6.461 ppm2      1.003 CV     1
 ASSI {  231}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      3.200     1.300     1.300 peak   231 spectrum    1 weight  0.10000E+01 volume  0.11352E-02 ppm1      6.463 ppm2      0.831 CV     1
 ASSI {  232}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.900     3.000     1.100 peak   232 spectrum    1 weight  0.10000E+01 volume  0.28006E-03 ppm1      6.463 ppm2      8.688 CV     1
 ASSI {  236}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak   236 spectrum    1 weight  0.10000E+01 volume  0.20233E-02 ppm1      8.507 ppm2      9.244 CV     1
 ASSI {  237}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      3.200     3.200     2.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.34998E-03 ppm1      8.507 ppm2      8.064 CV     1
 ASSI {  238}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      3.300     3.300     2.700 peak   238 spectrum    1 weight  0.10000E+01 volume  0.64945E-03 ppm1      8.502 ppm2      6.851 CV     1
 ASSI {  239}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      2.300     0.700     0.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.60572E-02 ppm1      8.506 ppm2      0.988 CV     1
 OR {  239}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI {  240}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      3.000     1.100     1.100 peak   240 spectrum    1 weight  0.10000E+01 volume  0.31211E-02 ppm1      8.508 ppm2      2.029 CV     1
 ASSI {  241}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.200     1.300     1.300 peak   241 spectrum    1 weight  0.10000E+01 volume  0.10792E-02 ppm1      8.508 ppm2      2.344 CV     1
 ASSI {  244}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      4.800     2.900     1.200 peak   244 spectrum    1 weight  0.10000E+01 volume  0.51471E-03 ppm1      9.243 ppm2      7.478 CV     1
 ASSI {  245}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      4.500     2.600     1.500 peak   245 spectrum    1 weight  0.10000E+01 volume  0.51479E-03 ppm1      9.252 ppm2      4.303 CV     1
 ASSI {  249}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.600     0.800     0.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.53691E-02 ppm1      9.246 ppm2      2.001 CV     1
 OR {  249}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  250}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.000     1.100     1.100 peak   250 spectrum    1 weight  0.10000E+01 volume  0.75407E-03 ppm1      9.249 ppm2      1.755 CV     1
 ASSI {  251}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      2.700     0.900     0.900 peak   251 spectrum    1 weight  0.10000E+01 volume  0.24434E-02 ppm1      9.245 ppm2      2.285 CV     1
 OR {  251}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
 ASSI {  253}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      3.600     1.600     1.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.10943E-02 ppm1      7.729 ppm2      0.922 CV     1
 ASSI {  254}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.000     1.100     1.100 peak   254 spectrum    1 weight  0.10000E+01 volume  0.11293E-02 ppm1      7.731 ppm2      1.742 CV     1
 ASSI {  255}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.700     1.700     1.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.10995E-02 ppm1      7.729 ppm2      1.990 CV     1
 OR {  255}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI {  256}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.700     0.900     0.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.30935E-02 ppm1      7.729 ppm2      2.683 CV     1
 ASSI {  258}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
      3.700     1.700     1.700 peak   258 spectrum    1 weight  0.10000E+01 volume  0.11900E-02 ppm1      7.730 ppm2      2.286 CV     1
 OR {  258}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI {  261}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.24984E-02 ppm1      7.729 ppm2      9.247 CV     1
 ASSI {  267}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      4.000     2.000     2.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.90845E-03 ppm1      7.477 ppm2      1.678 CV     1
 ASSI {  269}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      2.400     0.700     0.700 peak   269 spectrum    1 weight  0.10000E+01 volume  0.47617E-02 ppm1      7.477 ppm2      2.332 CV     1
 ASSI {  270}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.600     1.600     1.600 peak   270 spectrum    1 weight  0.10000E+01 volume  0.66080E-03 ppm1      7.476 ppm2      2.680 CV     1
 ASSI {  271}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.800     2.900     1.200 peak   271 spectrum    1 weight  0.10000E+01 volume  0.27745E-03 ppm1      7.475 ppm2      2.577 CV     1
 ASSI {  273}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.700     1.700     1.700 peak   273 spectrum    1 weight  0.10000E+01 volume  0.71479E-03 ppm1      7.476 ppm2      3.607 CV     1
 ASSI {  274}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.17741E-02 ppm1      7.476 ppm2      3.530 CV     1
 ASSI {  275}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.400     1.500     1.500 peak   275 spectrum    1 weight  0.10000E+01 volume  0.10172E-02 ppm1      7.481 ppm2      4.042 CV     1
 ASSI {  280}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.600     0.600 peak   280 spectrum    1 weight  0.10000E+01 volume  0.45770E-02 ppm1      7.477 ppm2      7.730 CV     1
 ASSI {  283}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.400     1.500     1.500 peak   283 spectrum    1 weight  0.10000E+01 volume  0.80500E-03 ppm1      8.384 ppm2      3.582 CV     1
 ASSI {  285}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.900     1.000     1.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.20361E-02 ppm1      8.389 ppm2      2.593 CV     1
 ASSI {  286}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.400     1.500     1.500 peak   286 spectrum    1 weight  0.10000E+01 volume  0.17423E-02 ppm1      8.387 ppm2      1.733 CV     1
 ASSI {  287}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.300     1.300     1.300 peak   287 spectrum    1 weight  0.10000E+01 volume  0.84923E-03 ppm1      8.389 ppm2      1.547 CV     1
 ASSI {  288}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.100     1.200     1.200 peak   288 spectrum    1 weight  0.10000E+01 volume  0.12237E-02 ppm1      8.389 ppm2      1.461 CV     1
 ASSI {  289}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
      4.600     2.600     1.400 peak   289 spectrum    1 weight  0.10000E+01 volume  0.67977E-03 ppm1      8.393 ppm2      1.331 CV     1
 OR {  289}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  291}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      3.300     1.400     1.400 peak   291 spectrum    1 weight  0.10000E+01 volume  0.30850E-03 ppm1      8.388 ppm2      0.898 CV     1
 ASSI {  292}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      5.600     3.900     0.400 peak   292 spectrum    1 weight  0.10000E+01 volume  0.17966E-03 ppm1      8.389 ppm2      0.796 CV     1
 ASSI {  293}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.200     1.300     1.300 peak   293 spectrum    1 weight  0.10000E+01 volume  0.12987E-02 ppm1      8.390 ppm2      2.054 CV     1
 ASSI {  294}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.26285E-02 ppm1      8.388 ppm2      7.505 CV     1
 ASSI {  295}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.600     2.700     1.400 peak   295 spectrum    1 weight  0.10000E+01 volume  0.30375E-03 ppm1      8.389 ppm2      6.361 CV     1
 ASSI {  297}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      3.600     1.600     1.600 peak   297 spectrum    1 weight  0.10000E+01 volume  0.39453E-03 ppm1      7.507 ppm2      0.653 CV     1
 ASSI {  300}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HD1 ))
      3.500     1.500     1.500 peak   300 spectrum    1 weight  0.10000E+01 volume  0.11556E-02 ppm1      7.501 ppm2      1.551 CV     1
 ASSI {  301}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
      4.000     2.000     2.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.93572E-03 ppm1      7.504 ppm2      1.463 CV     1
 ASSI {  302}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      2.400     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.35494E-02 ppm1      7.504 ppm2      1.350 CV     1
 ASSI {  303}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.400     1.400     1.400 peak   303 spectrum    1 weight  0.10000E+01 volume  0.13059E-02 ppm1      7.504 ppm2      1.802 CV     1
 ASSI {  304}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.900     1.100     1.100 peak   304 spectrum    1 weight  0.10000E+01 volume  0.36944E-02 ppm1      7.503 ppm2      2.047 CV     1
 ASSI {  305}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      4.400     2.400     1.600 peak   305 spectrum    1 weight  0.10000E+01 volume  0.72856E-03 ppm1      7.501 ppm2      2.283 CV     1
 ASSI {  308}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.400     2.400     1.600 peak   308 spectrum    1 weight  0.10000E+01 volume  0.42801E-03 ppm1      7.505 ppm2      2.771 CV     1
 ASSI {  309}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.700     1.700     1.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.53841E-03 ppm1      7.507 ppm2      3.585 CV     1
 ASSI {  310}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.200     1.300     1.300 peak   310 spectrum    1 weight  0.10000E+01 volume  0.12077E-02 ppm1      7.503 ppm2      4.485 CV     1
 ASSI {  312}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.100     2.100     1.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.61753E-03 ppm1      7.506 ppm2      6.360 CV     1
 ASSI {  317}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      4.400     2.400     1.600 peak   317 spectrum    1 weight  0.10000E+01 volume  0.35709E-03 ppm1     10.161 ppm2      0.591 CV     1
 ASSI {  321}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.900     3.000     1.100 peak   321 spectrum    1 weight  0.10000E+01 volume  0.17822E-03 ppm1     10.157 ppm2      2.447 CV     1
 ASSI {  324}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak   324 spectrum    1 weight  0.10000E+01 volume  0.46847E-03 ppm1     10.163 ppm2      2.060 CV     1
 ASSI {  325}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      5.400     3.700     0.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.18098E-03 ppm1     10.155 ppm2      1.798 CV     1
 ASSI {  326}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HD1 ))
      4.300     2.300     1.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.47421E-03 ppm1     10.164 ppm2      1.560 CV     1
 ASSI {  327}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
      4.200     2.200     1.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.47115E-03 ppm1     10.158 ppm2      1.464 CV     1
 ASSI {  328}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.300     1.300     1.300 peak   328 spectrum    1 weight  0.10000E+01 volume  0.93807E-03 ppm1     10.162 ppm2      1.372 CV     1
 ASSI {  329}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.800     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.23122E-02 ppm1     10.161 ppm2      3.857 CV     1
 ASSI {  330}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.900     1.000     1.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.14287E-02 ppm1     10.161 ppm2      4.100 CV     1
 ASSI {  332}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.100     1.200     1.200 peak   332 spectrum    1 weight  0.10000E+01 volume  0.61343E-03 ppm1     10.159 ppm2      4.915 CV     1
 ASSI {  333}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.300     2.400     1.700 peak   333 spectrum    1 weight  0.10000E+01 volume  0.30919E-03 ppm1     10.159 ppm2      7.696 CV     1
 ASSI {  338}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.500     0.800     0.800 peak   338 spectrum    1 weight  0.10000E+01 volume  0.35634E-02 ppm1      8.196 ppm2      3.138 CV     1
 OR {  338}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  339}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.800     1.000     1.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.21015E-02 ppm1      8.196 ppm2      4.092 CV     1
 ASSI {  340}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.35641E-02 ppm1      8.195 ppm2      4.921 CV     1
 ASSI {  341}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.200     1.300     1.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.18538E-02 ppm1      8.196 ppm2      5.255 CV     1
 ASSI {  342}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.600     2.700     1.400 peak   342 spectrum    1 weight  0.10000E+01 volume  0.54838E-03 ppm1      8.196 ppm2      1.062 CV     1
 ASSI {  343}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      5.400     3.600     0.600 peak   343 spectrum    1 weight  0.10000E+01 volume  0.22228E-03 ppm1      8.196 ppm2      0.581 CV     1
 ASSI {  344}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.12573E-02 ppm1      8.194 ppm2      8.615 CV     1
 ASSI {  345}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      2.600     0.900     0.900 peak   345 spectrum    1 weight  0.10000E+01 volume  0.26054E-02 ppm1      8.195 ppm2      7.186 CV     1
 ASSI {  346}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
      5.000     3.100     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.25341E-03 ppm1      8.195 ppm2      6.993 CV     1
 ASSI {  347}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      2.700     0.900     0.900 peak   347 spectrum    1 weight  0.10000E+01 volume  0.29287E-02 ppm1      8.616 ppm2      1.266 CV     1
 ASSI {  348}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.900     1.000     1.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.30273E-02 ppm1      8.616 ppm2      3.136 CV     1
 OR {  348}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  349}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      3.100     1.200     1.200 peak   349 spectrum    1 weight  0.10000E+01 volume  0.16232E-02 ppm1      8.615 ppm2      4.193 CV     1
 ASSI {  355}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      4.900     3.000     1.100 peak   355 spectrum    1 weight  0.10000E+01 volume  0.32609E-03 ppm1      8.615 ppm2      7.182 CV     1
 ASSI {  356}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.000     1.100     1.100 peak   356 spectrum    1 weight  0.10000E+01 volume  0.98502E-03 ppm1      7.976 ppm2      2.436 CV     1
 ASSI {  357}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.900     1.900     1.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.65908E-03 ppm1      7.966 ppm2      2.772 CV     1
 ASSI {  359}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.300     1.300     1.300 peak   359 spectrum    1 weight  0.10000E+01 volume  0.89710E-03 ppm1      7.974 ppm2      4.611 CV     1
 ASSI {  360}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.900     0.900 peak   360 spectrum    1 weight  0.10000E+01 volume  0.12006E-02 ppm1      7.971 ppm2      8.617 CV     1
 ASSI {  363}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.800     1.800     1.800 peak   363 spectrum    1 weight  0.10000E+01 volume  0.13753E-02 ppm1      7.704 ppm2      4.383 CV     1
 ASSI {  366}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.600     1.600     1.600 peak   366 spectrum    1 weight  0.10000E+01 volume  0.10822E-02 ppm1      7.712 ppm2      3.575 CV     1
 ASSI {  367}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.400     1.400     1.400 peak   367 spectrum    1 weight  0.10000E+01 volume  0.70360E-03 ppm1      7.711 ppm2      3.494 CV     1
 ASSI {  372}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.000     0.500     0.500 peak   372 spectrum    1 weight  0.10000E+01 volume  0.44740E-02 ppm1      7.700 ppm2      7.464 CV     1
 ASSI {  373}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.700     0.900     0.900 peak   373 spectrum    1 weight  0.10000E+01 volume  0.22337E-02 ppm1      7.705 ppm2      8.259 CV     1
 ASSI {  374}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.900     0.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.14121E-02 ppm1      7.702 ppm2      7.988 CV     1
 ASSI {  381}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.600     0.800     0.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.14214E-02 ppm1      7.462 ppm2      1.599 CV     1
 ASSI {  382}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      2.600     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.18840E-02 ppm1      7.461 ppm2      1.446 CV     1
 ASSI {  388}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.300     1.400     1.400 peak   388 spectrum    1 weight  0.10000E+01 volume  0.20747E-02 ppm1      7.462 ppm2      2.275 CV     1
 ASSI {  389}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.200     1.300     1.300 peak   389 spectrum    1 weight  0.10000E+01 volume  0.14849E-02 ppm1      7.459 ppm2      3.038 CV     1
 ASSI {  390}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      5.500     3.800     0.500 peak   390 spectrum    1 weight  0.10000E+01 volume  0.12762E-03 ppm1      7.461 ppm2      4.188 CV     1
 ASSI {  393}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.21088E-02 ppm1      7.463 ppm2      4.377 CV     1
 ASSI {  394}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.900     1.900     1.900 peak   394 spectrum    1 weight  0.10000E+01 volume  0.64023E-03 ppm1      7.461 ppm2      5.007 CV     1
 ASSI {  395}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      4.500     2.500     1.500 peak   395 spectrum    1 weight  0.10000E+01 volume  0.39199E-03 ppm1      7.457 ppm2      8.197 CV     1
 ASSI {  396}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.300     2.300     1.700 peak   396 spectrum    1 weight  0.10000E+01 volume  0.52945E-03 ppm1      7.459 ppm2      8.030 CV     1
 ASSI {  399}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.900     1.000     1.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.14366E-02 ppm1      7.336 ppm2      2.441 CV     1
 ASSI {  400}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.500     0.800     0.800 peak   400 spectrum    1 weight  0.10000E+01 volume  0.75646E-03 ppm1      7.337 ppm2      2.279 CV     1
 ASSI {  401}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.200     1.300     1.300 peak   401 spectrum    1 weight  0.10000E+01 volume  0.12318E-02 ppm1      7.335 ppm2      3.082 CV     1
 ASSI {  402}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.300     2.300     1.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.42399E-03 ppm1      7.332 ppm2      1.594 CV     1
 ASSI {  403}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
      4.100     2.100     1.900 peak   403 spectrum    1 weight  0.10000E+01 volume  0.26751E-03 ppm1      7.332 ppm2      1.278 CV     1
 OR {  403}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
 ASSI {  405}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      5.500     3.700     0.500 peak   405 spectrum    1 weight  0.10000E+01 volume  0.27249E-03 ppm1      7.333 ppm2      0.585 CV     1
 ASSI {  406}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      4.500     2.500     1.500 peak   406 spectrum    1 weight  0.10000E+01 volume  0.36040E-03 ppm1      7.342 ppm2      0.936 CV     1
 OR {  406}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  407}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.500     0.800     0.800 peak   407 spectrum    1 weight  0.10000E+01 volume  0.23137E-02 ppm1      7.337 ppm2      8.029 CV     1
 ASSI {  408}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      2.600     0.900     0.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.36368E-02 ppm1      8.027 ppm2      1.874 CV     1
 ASSI {  409}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.000     1.100     1.100 peak   409 spectrum    1 weight  0.10000E+01 volume  0.17623E-02 ppm1      8.025 ppm2      4.513 CV     1
 ASSI {  411}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.200     1.200 peak   411 spectrum    1 weight  0.10000E+01 volume  0.12563E-02 ppm1      8.025 ppm2      3.948 CV     1
 ASSI {  412}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      2.600     0.900     0.900 peak   412 spectrum    1 weight  0.10000E+01 volume  0.40947E-02 ppm1      8.027 ppm2      0.942 CV     1
 OR {  412}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  413}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.600     2.600     1.400 peak   413 spectrum    1 weight  0.10000E+01 volume  0.28578E-03 ppm1      8.029 ppm2      2.450 CV     1
 ASSI {  414}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.800     1.800     1.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.53586E-03 ppm1      8.024 ppm2      2.281 CV     1
 ASSI {  418}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.200     1.300     1.300 peak   418 spectrum    1 weight  0.10000E+01 volume  0.39697E-02 ppm1      8.123 ppm2      1.888 CV     1
 ASSI {  419}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG  ))
      3.100     1.200     1.200 peak   419 spectrum    1 weight  0.10000E+01 volume  0.24199E-02 ppm1      8.122 ppm2      1.728 CV     1
 ASSI {  420}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.600     0.800     0.800 peak   420 spectrum    1 weight  0.10000E+01 volume  0.21356E-02 ppm1      8.124 ppm2      1.622 CV     1
 ASSI {  421}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.700     1.700     1.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.50235E-03 ppm1      8.123 ppm2      3.092 CV     1
 ASSI {  422}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.900     1.900     1.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.51198E-03 ppm1      8.126 ppm2      2.755 CV     1
 ASSI {  424}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   424 spectrum    1 weight  0.10000E+01 volume  0.26985E-02 ppm1      8.123 ppm2      4.306 CV     1
 ASSI {  425}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.100     1.200     1.200 peak   425 spectrum    1 weight  0.10000E+01 volume  0.15983E-02 ppm1      8.126 ppm2      4.148 CV     1
 OR {  425}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  425}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  426}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.400     0.700     0.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.40615E-02 ppm1      8.122 ppm2      8.388 CV     1
 ASSI {  429}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      3.600     1.600     1.600 peak   429 spectrum    1 weight  0.10000E+01 volume  0.82314E-03 ppm1      8.124 ppm2      0.896 CV     1
 ASSI {  430}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HD2%)
      3.800     1.800     1.800 peak   430 spectrum    1 weight  0.10000E+01 volume  0.70913E-03 ppm1      8.121 ppm2      0.971 CV     1
 ASSI {  432}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG  ))
      3.100     3.100     2.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.44686E-03 ppm1      8.385 ppm2      1.726 CV     1
 ASSI {  433}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.200     1.300     1.300 peak   433 spectrum    1 weight  0.10000E+01 volume  0.98146E-03 ppm1      8.386 ppm2      1.626 CV     1
 ASSI {  434}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.300     1.400     1.400 peak   434 spectrum    1 weight  0.10000E+01 volume  0.18254E-02 ppm1      8.386 ppm2      1.885 CV     1
 ASSI {  435}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      4.200     2.200     1.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.31197E-03 ppm1      8.385 ppm2      3.072 CV     1
 ASSI {  436}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.900     1.000     1.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.12281E-02 ppm1      8.386 ppm2      3.666 CV     1
 ASSI {  437}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.300     1.300     1.300 peak   437 spectrum    1 weight  0.10000E+01 volume  0.23466E-02 ppm1      8.385 ppm2      3.971 CV     1
 ASSI {  439}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.800     1.800     1.800 peak   439 spectrum    1 weight  0.10000E+01 volume  0.36827E-03 ppm1      8.388 ppm2      4.149 CV     1
 OR {  439}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  440}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.27477E-02 ppm1      8.386 ppm2      4.299 CV     1
 ASSI {  441}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.900     3.000     1.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.14015E-03 ppm1      8.382 ppm2      7.301 CV     1
 ASSI {  443}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak   443 spectrum    1 weight  0.10000E+01 volume  0.31295E-02 ppm1      8.310 ppm2      3.949 CV     1
 ASSI {  445}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.500     1.500     1.500 peak   445 spectrum    1 weight  0.10000E+01 volume  0.95989E-03 ppm1      8.310 ppm2      4.300 CV     1
 ASSI {  446}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.500     1.600     1.600 peak   446 spectrum    1 weight  0.10000E+01 volume  0.54813E-03 ppm1      8.308 ppm2      3.665 CV     1
 ASSI {  447}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.700     0.900     0.900 peak   447 spectrum    1 weight  0.10000E+01 volume  0.28132E-02 ppm1      8.310 ppm2      2.092 CV     1
 ASSI {  448}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.500     0.800     0.800 peak   448 spectrum    1 weight  0.10000E+01 volume  0.19756E-02 ppm1      8.311 ppm2      1.930 CV     1
 ASSI {  450}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      4.500     2.500     1.500 peak   450 spectrum    1 weight  0.10000E+01 volume  0.46009E-03 ppm1      8.310 ppm2      1.115 CV     1
 ASSI {  452}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.800     0.800 peak   452 spectrum    1 weight  0.10000E+01 volume  0.21857E-02 ppm1      8.311 ppm2      7.296 CV     1
 ASSI {  454}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.200     1.300     1.300 peak   454 spectrum    1 weight  0.10000E+01 volume  0.88902E-03 ppm1      7.295 ppm2      3.947 CV     1
 ASSI {  455}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   455 spectrum    1 weight  0.10000E+01 volume  0.97802E-03 ppm1      7.298 ppm2      4.296 CV     1
 ASSI {  456}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.700     1.700     1.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.83001E-03 ppm1      7.296 ppm2      2.295 CV     1
 ASSI {  457}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      2.400     0.700     0.700 peak   457 spectrum    1 weight  0.10000E+01 volume  0.48300E-02 ppm1      7.296 ppm2      2.206 CV     1
 ASSI {  458}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.000     1.100     1.100 peak   458 spectrum    1 weight  0.10000E+01 volume  0.96881E-03 ppm1      7.296 ppm2      2.092 CV     1
 ASSI {  459}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.700     1.700     1.700 peak   459 spectrum    1 weight  0.10000E+01 volume  0.95553E-03 ppm1      7.295 ppm2      1.926 CV     1
 ASSI {  463}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      4.300     2.400     1.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.50696E-03 ppm1      7.298 ppm2      0.891 CV     1
 OR {  463}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI {  465}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.32520E-02 ppm1      7.296 ppm2      7.001 CV     1
 ASSI {  469}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.23031E-02 ppm1      6.996 ppm2      4.062 CV     1
 ASSI {  470}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG1 ))
      2.800     1.000     1.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.22147E-02 ppm1      6.997 ppm2      2.440 CV     1
 ASSI {  471}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   471 spectrum    1 weight  0.10000E+01 volume  0.10509E-02 ppm1      6.995 ppm2      4.300 CV     1
 ASSI {  472}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.300     1.300     1.300 peak   472 spectrum    1 weight  0.10000E+01 volume  0.94845E-03 ppm1      6.994 ppm2      3.586 CV     1
 ASSI {  476}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak   476 spectrum    1 weight  0.10000E+01 volume  0.37500E-02 ppm1      6.995 ppm2      8.047 CV     1
 ASSI {  478}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
      3.400     1.500     1.500 peak   478 spectrum    1 weight  0.10000E+01 volume  0.19790E-02 ppm1      6.996 ppm2      0.970 CV     1
 ASSI {  480}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      2.200     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.56505E-02 ppm1      8.049 ppm2      2.274 CV     1
 ASSI {  483}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      2.700     2.700     3.300 peak   483 spectrum    1 weight  0.10000E+01 volume  0.97890E-03 ppm1      8.049 ppm2      2.181 CV     1
 ASSI {  495}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.500     2.600     1.500 peak   495 spectrum    1 weight  0.10000E+01 volume  0.48258E-03 ppm1      7.817 ppm2      3.585 CV     1
 ASSI {  496}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak   496 spectrum    1 weight  0.10000E+01 volume  0.90569E-03 ppm1      7.815 ppm2      4.054 CV     1
 ASSI {  498}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      3.200     1.300     1.300 peak   498 spectrum    1 weight  0.10000E+01 volume  0.28716E-02 ppm1      7.814 ppm2      2.210 CV     1
 ASSI {  499}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.400     0.700     0.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.39753E-02 ppm1      7.815 ppm2      2.060 CV     1
 ASSI {  502}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      2.900     1.000     1.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.13234E-02 ppm1      7.814 ppm2      0.861 CV     1
 OR {  502}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI {  504}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.300     1.400     1.400 peak   504 spectrum    1 weight  0.10000E+01 volume  0.10859E-02 ppm1      7.911 ppm2      3.929 CV     1
 ASSI {  506}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.200     1.200     1.200 peak   506 spectrum    1 weight  0.10000E+01 volume  0.84018E-03 ppm1      7.910 ppm2      3.421 CV     1
 ASSI {  507}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      3.200     1.200     1.200 peak   507 spectrum    1 weight  0.10000E+01 volume  0.28942E-02 ppm1      7.909 ppm2      2.058 CV     1
 ASSI {  508}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      2.200     0.600     0.600 peak   508 spectrum    1 weight  0.10000E+01 volume  0.73309E-02 ppm1      7.909 ppm2      1.521 CV     1
 ASSI {  509}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.500     1.500     1.500 peak   509 spectrum    1 weight  0.10000E+01 volume  0.14816E-02 ppm1      7.910 ppm2      1.106 CV     1
 ASSI {  510}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HG1%)
      3.000     1.100     1.100 peak   510 spectrum    1 weight  0.10000E+01 volume  0.16345E-02 ppm1      7.909 ppm2      1.003 CV     1
 ASSI {  511}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.200     2.200     1.800 peak   511 spectrum    1 weight  0.10000E+01 volume  0.47257E-03 ppm1      7.904 ppm2      0.759 CV     1
 ASSI {  512}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.400     0.700     0.700 peak   512 spectrum    1 weight  0.10000E+01 volume  0.30972E-02 ppm1      7.910 ppm2      8.772 CV     1
 ASSI {  515}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.700     0.900     0.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.23101E-02 ppm1      8.771 ppm2      3.947 CV     1
 ASSI {  517}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      3.300     1.400     1.400 peak   517 spectrum    1 weight  0.10000E+01 volume  0.12556E-02 ppm1      8.772 ppm2      0.729 CV     1
 ASSI {  519}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      2.800     2.800     3.200 peak   519 spectrum    1 weight  0.10000E+01 volume  0.90716E-03 ppm1      8.771 ppm2      1.064 CV     1
 ASSI {  523}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     1.300     1.300 peak   523 spectrum    1 weight  0.10000E+01 volume  0.10316E-02 ppm1      8.771 ppm2      3.314 CV     1
 ASSI {  525}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.18687E-02 ppm1      8.839 ppm2      4.181 CV     1
 ASSI {  526}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   526 spectrum    1 weight  0.10000E+01 volume  0.16603E-02 ppm1      8.840 ppm2      3.938 CV     1
 ASSI {  527}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      2.300     0.600     0.600 peak   527 spectrum    1 weight  0.10000E+01 volume  0.28970E-02 ppm1      8.838 ppm2      2.817 CV     1
 ASSI {  528}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.400     1.400     1.400 peak   528 spectrum    1 weight  0.10000E+01 volume  0.29690E-02 ppm1      8.837 ppm2      2.460 CV     1
 ASSI {  529}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.800     1.800     1.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.13252E-02 ppm1      8.836 ppm2      2.290 CV     1
 ASSI {  531}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      2.800     1.000     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.26663E-02 ppm1      8.839 ppm2      1.496 CV     1
 ASSI {  533}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.200     2.200     1.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.45460E-03 ppm1      8.840 ppm2      0.589 CV     1
 ASSI {  534}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.400     0.700     0.700 peak   534 spectrum    1 weight  0.10000E+01 volume  0.25333E-02 ppm1      8.838 ppm2      7.748 CV     1
 ASSI {  536}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.400     0.700     0.700 peak   536 spectrum    1 weight  0.10000E+01 volume  0.22994E-02 ppm1      7.747 ppm2      8.197 CV     1
 ASSI {  538}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
      3.200     1.300     1.300 peak   538 spectrum    1 weight  0.10000E+01 volume  0.27425E-02 ppm1      7.747 ppm2      2.449 CV     1
 ASSI {  539}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.500     0.800     0.800 peak   539 spectrum    1 weight  0.10000E+01 volume  0.41514E-02 ppm1      7.747 ppm2      2.128 CV     1
 ASSI {  540}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.400     1.500     1.500 peak   540 spectrum    1 weight  0.10000E+01 volume  0.27615E-02 ppm1      7.747 ppm2      2.040 CV     1
 ASSI {  541}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      2.600     0.800     0.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.10215E-02 ppm1      7.748 ppm2      2.230 CV     1
 ASSI {  542}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.200     2.200     1.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.66021E-03 ppm1      7.745 ppm2      1.491 CV     1
 ASSI {  543}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.600     1.600     1.600 peak   543 spectrum    1 weight  0.10000E+01 volume  0.11791E-02 ppm1      7.746 ppm2      4.216 CV     1
 ASSI {  546}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      4.300     2.300     1.700 peak   546 spectrum    1 weight  0.10000E+01 volume  0.58076E-03 ppm1      8.197 ppm2      4.227 CV     1
 ASSI {  550}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.800     1.000     1.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.37847E-02 ppm1      8.196 ppm2      1.619 CV     1
 ASSI {  551}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.300     0.700     0.700 peak   551 spectrum    1 weight  0.10000E+01 volume  0.32178E-02 ppm1      8.196 ppm2      1.088 CV     1
 ASSI {  553}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.200     2.200     1.800 peak   553 spectrum    1 weight  0.10000E+01 volume  0.61720E-03 ppm1      8.195 ppm2      0.737 CV     1
 ASSI {  555}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.700     1.700     1.700 peak   555 spectrum    1 weight  0.10000E+01 volume  0.13664E-02 ppm1      8.134 ppm2      3.433 CV     1
 ASSI {  556}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.500     0.800     0.800 peak   556 spectrum    1 weight  0.10000E+01 volume  0.22233E-02 ppm1      8.134 ppm2      2.739 CV     1
 ASSI {  557}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.300     1.300     1.300 peak   557 spectrum    1 weight  0.10000E+01 volume  0.90820E-03 ppm1      8.138 ppm2      1.613 CV     1
 ASSI {  558}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.000     1.100     1.100 peak   558 spectrum    1 weight  0.10000E+01 volume  0.18204E-02 ppm1      8.136 ppm2      1.089 CV     1
 ASSI {  561}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.500     2.600     1.500 peak   561 spectrum    1 weight  0.10000E+01 volume  0.34724E-03 ppm1      8.133 ppm2      1.484 CV     1
 ASSI {  562}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.300     1.400     1.400 peak   562 spectrum    1 weight  0.10000E+01 volume  0.10093E-02 ppm1      8.135 ppm2      3.913 CV     1
 ASSI {  563}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      5.300     3.500     0.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.48363E-03 ppm1      8.134 ppm2      4.485 CV     1
 ASSI {  564}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.000     1.100     1.100 peak   564 spectrum    1 weight  0.10000E+01 volume  0.15815E-02 ppm1      8.134 ppm2      4.841 CV     1
 ASSI {  565}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.700     0.900     0.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.37503E-02 ppm1      7.824 ppm2      4.483 CV     1
 ASSI {  566}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.22048E-02 ppm1      7.824 ppm2      4.180 CV     1
 ASSI {  568}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      3.400     1.400     1.400 peak   568 spectrum    1 weight  0.10000E+01 volume  0.91922E-03 ppm1      7.825 ppm2      2.005 CV     1
 ASSI {  570}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      2.400     0.700     0.700 peak   570 spectrum    1 weight  0.10000E+01 volume  0.39497E-02 ppm1      7.600 ppm2      1.988 CV     1
 ASSI {  574}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.400     1.400     1.400 peak   574 spectrum    1 weight  0.10000E+01 volume  0.12384E-02 ppm1      7.601 ppm2      2.416 CV     1
 OR {  574}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  576}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak   576 spectrum    1 weight  0.10000E+01 volume  0.20706E-02 ppm1      7.598 ppm2      7.039 CV     1
 ASSI {  577}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      3.800     1.800     1.800 peak   577 spectrum    1 weight  0.10000E+01 volume  0.12750E-02 ppm1      7.712 ppm2      0.606 CV     1
 ASSI {  579}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.700     0.900     0.900 peak   579 spectrum    1 weight  0.10000E+01 volume  0.15231E-02 ppm1      7.715 ppm2      0.920 CV     1
 ASSI {  580}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
      2.300     0.700     0.700 peak   580 spectrum    1 weight  0.10000E+01 volume  0.35898E-02 ppm1      7.714 ppm2      1.794 CV     1
 ASSI {  581}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.200     1.300     1.300 peak   581 spectrum    1 weight  0.10000E+01 volume  0.26341E-02 ppm1      7.713 ppm2      2.196 CV     1
 ASSI {  583}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      4.400     2.400     1.600 peak   583 spectrum    1 weight  0.10000E+01 volume  0.42583E-03 ppm1      7.712 ppm2      2.724 CV     1
 ASSI {  584}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.400     1.400     1.400 peak   584 spectrum    1 weight  0.10000E+01 volume  0.88944E-03 ppm1      7.714 ppm2      3.232 CV     1
 ASSI {  586}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.400     1.500     1.500 peak   586 spectrum    1 weight  0.10000E+01 volume  0.74817E-03 ppm1      7.713 ppm2      4.049 CV     1
 ASSI {  587}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.900     1.000     1.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.18475E-02 ppm1      7.713 ppm2      4.462 CV     1
 ASSI {  588}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.800     1.800     1.800 peak   588 spectrum    1 weight  0.10000E+01 volume  0.58687E-03 ppm1      7.713 ppm2      4.876 CV     1
 ASSI {  590}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      4.400     2.400     1.600 peak   590 spectrum    1 weight  0.10000E+01 volume  0.64069E-03 ppm1      7.712 ppm2      8.214 CV     1
 ASSI {  592}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.500     0.800     0.800 peak   592 spectrum    1 weight  0.10000E+01 volume  0.31767E-02 ppm1      9.869 ppm2      1.689 CV     1
 ASSI {  593}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
      2.600     0.800     0.800 peak   593 spectrum    1 weight  0.10000E+01 volume  0.17106E-02 ppm1      9.866 ppm2      1.539 CV     1
 ASSI {  595}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      2.700     0.900     0.900 peak   595 spectrum    1 weight  0.10000E+01 volume  0.10999E-02 ppm1      9.867 ppm2      2.296 CV     1
 ASSI {  596}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
      3.900     1.900     1.900 peak   596 spectrum    1 weight  0.10000E+01 volume  0.11626E-02 ppm1      9.867 ppm2      0.854 CV     1
 ASSI {  599}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HD2 ))
      4.300     2.300     1.700 peak   599 spectrum    1 weight  0.10000E+01 volume  0.44870E-03 ppm1      9.867 ppm2      3.815 CV     1
 OR {  599}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI {  600}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      5.000     3.200     1.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.40076E-03 ppm1      9.871 ppm2      2.823 CV     1
 ASSI {  603}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.24096E-02 ppm1      8.343 ppm2      4.489 CV     1
 ASSI {  605}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA1 ))
      3.000     1.100     1.100 peak   605 spectrum    1 weight  0.10000E+01 volume  0.13309E-02 ppm1      8.341 ppm2      4.007 CV     1
 ASSI {  606}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      4.100     2.100     1.900 peak   606 spectrum    1 weight  0.10000E+01 volume  0.46579E-03 ppm1      8.342 ppm2      4.338 CV     1
 ASSI {  607}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.000     1.100     1.100 peak   607 spectrum    1 weight  0.10000E+01 volume  0.21414E-02 ppm1      8.343 ppm2      3.114 CV     1
 ASSI {  608}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.900     1.000     1.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.13102E-02 ppm1      8.344 ppm2      2.909 CV     1
 ASSI {  609}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      4.600     2.700     1.400 peak   609 spectrum    1 weight  0.10000E+01 volume  0.52836E-03 ppm1      8.345 ppm2      1.605 CV     1
 ASSI {  611}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.17636E-02 ppm1      8.344 ppm2      9.414 CV     1
 ASSI {  614}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      2.600     0.800     0.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.17033E-02 ppm1      7.042 ppm2      1.988 CV     1
 ASSI {  616}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
      3.100     1.200     1.200 peak   616 spectrum    1 weight  0.10000E+01 volume  0.14669E-02 ppm1      7.040 ppm2      0.822 CV     1
 ASSI {  617}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
      2.400     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.35623E-02 ppm1      7.041 ppm2      1.384 CV     1
 OR {  617}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI {  620}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.800     0.800 peak   620 spectrum    1 weight  0.10000E+01 volume  0.21361E-02 ppm1      7.041 ppm2      7.280 CV     1
 ASSI {  622}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.93287E-03 ppm1      7.272 ppm2      4.880 CV     1
 ASSI {  623}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.600     0.900     0.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.25900E-02 ppm1      7.277 ppm2      2.728 CV     1
 ASSI {  626}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
      3.800     1.800     1.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.87926E-03 ppm1      7.277 ppm2      1.388 CV     1
 ASSI {  629}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.400     0.700     0.700 peak   629 spectrum    1 weight  0.10000E+01 volume  0.40643E-02 ppm1      7.278 ppm2      7.714 CV     1
 ASSI {  631}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.300     1.300     1.300 peak   631 spectrum    1 weight  0.10000E+01 volume  0.15752E-02 ppm1      8.574 ppm2      4.473 CV     1
 ASSI {  633}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.300     0.600     0.600 peak   633 spectrum    1 weight  0.10000E+01 volume  0.41624E-02 ppm1      8.573 ppm2      8.208 CV     1
 ASSI {  635}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.800     1.000     1.000 peak   635 spectrum    1 weight  0.10000E+01 volume  0.24217E-02 ppm1      8.573 ppm2      3.112 CV     1
 ASSI {  636}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.900     1.100     1.100 peak   636 spectrum    1 weight  0.10000E+01 volume  0.20804E-02 ppm1      8.576 ppm2      2.044 CV     1
 OR {  636}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {  638}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      3.800     1.800     1.800 peak   638 spectrum    1 weight  0.10000E+01 volume  0.57368E-03 ppm1      8.575 ppm2      4.351 CV     1
 ASSI {  640}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.400     0.700     0.700 peak   640 spectrum    1 weight  0.10000E+01 volume  0.36231E-02 ppm1      7.820 ppm2      8.136 CV     1
 ASSI {  641}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.900     1.900     1.900 peak   641 spectrum    1 weight  0.10000E+01 volume  0.10214E-02 ppm1      7.824 ppm2      3.256 CV     1
 ASSI {  642}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.200     1.300     1.300 peak   642 spectrum    1 weight  0.10000E+01 volume  0.15339E-02 ppm1      7.823 ppm2      2.543 CV     1
 ASSI {  645}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.500     0.500 peak   645 spectrum    1 weight  0.10000E+01 volume  0.37092E-02 ppm1      8.148 ppm2      4.355 CV     1
 ASSI {  647}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      2.800     1.000     1.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.17011E-02 ppm1      9.415 ppm2      4.355 CV     1
 ASSI {  651}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.400     1.400     1.400 peak   651 spectrum    1 weight  0.10000E+01 volume  0.20778E-02 ppm1      9.416 ppm2      3.584 CV     1
 ASSI {  652}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      3.200     1.300     1.300 peak   652 spectrum    1 weight  0.10000E+01 volume  0.21532E-02 ppm1      9.416 ppm2      2.284 CV     1
 ASSI {  655}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.100     1.200     1.200 peak   655 spectrum    1 weight  0.10000E+01 volume  0.45967E-03 ppm1      9.410 ppm2      1.055 CV     1
 ASSI {  660}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.600     0.900     0.900 peak   660 spectrum    1 weight  0.10000E+01 volume  0.15269E-02 ppm1      9.414 ppm2      8.157 CV     1
 ASSI {  663}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.300     0.600     0.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.62277E-02 ppm1      8.206 ppm2      4.466 CV     1
 ASSI {  665}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.300     1.400     1.400 peak   665 spectrum    1 weight  0.10000E+01 volume  0.14185E-02 ppm1      8.209 ppm2      2.902 CV     1
 ASSI {  666}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.900     1.100     1.100 peak   666 spectrum    1 weight  0.10000E+01 volume  0.13528E-02 ppm1      8.207 ppm2      3.110 CV     1
 ASSI {  667}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.800     1.000     1.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.44962E-02 ppm1      8.209 ppm2      2.043 CV     1
 OR {  667}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  668}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD2 ))
      4.400     2.500     1.600 peak   668 spectrum    1 weight  0.10000E+01 volume  0.75118E-03 ppm1      8.205 ppm2      1.767 CV     1
 OR {  668}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI {  669}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      2.900     1.100     1.100 peak   669 spectrum    1 weight  0.10000E+01 volume  0.16676E-02 ppm1      8.206 ppm2      1.559 CV     1
 ASSI {  670}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.100     1.200     1.200 peak   670 spectrum    1 weight  0.10000E+01 volume  0.80597E-03 ppm1      8.210 ppm2      1.460 CV     1
 ASSI {  671}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.800     1.800     1.800 peak   671 spectrum    1 weight  0.10000E+01 volume  0.66247E-03 ppm1      8.207 ppm2      0.922 CV     1
 ASSI {  673}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   673 spectrum    1 weight  0.10000E+01 volume  0.48053E-02 ppm1      8.637 ppm2      4.405 CV     1
 ASSI {  676}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.600     1.600     1.600 peak   676 spectrum    1 weight  0.10000E+01 volume  0.94184E-03 ppm1      8.636 ppm2      2.390 CV     1
 ASSI {  677}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.300     1.400     1.400 peak   677 spectrum    1 weight  0.10000E+01 volume  0.91645E-03 ppm1      8.632 ppm2      1.936 CV     1
 ASSI {  682}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.700     1.700     1.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.10639E-02 ppm1      8.292 ppm2      2.139 CV     1
 ASSI {  683}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.900     1.100     1.100 peak   683 spectrum    1 weight  0.10000E+01 volume  0.15951E-02 ppm1      8.292 ppm2      2.325 CV     1
 ASSI {  684}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      4.300     2.300     1.700 peak   684 spectrum    1 weight  0.10000E+01 volume  0.62670E-03 ppm1      8.298 ppm2      2.574 CV     1
 ASSI {  686}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.800     1.000     1.000 peak   686 spectrum    1 weight  0.10000E+01 volume  0.23862E-02 ppm1      7.884 ppm2      2.136 CV     1
 ASSI {  687}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.300     1.400     1.400 peak   687 spectrum    1 weight  0.10000E+01 volume  0.20562E-02 ppm1      7.881 ppm2      2.332 CV     1
 ASSI {  688}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      3.300     1.300     1.300 peak   688 spectrum    1 weight  0.10000E+01 volume  0.16815E-02 ppm1      7.884 ppm2      2.575 CV     1
 ASSI {  689}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      2.600     0.800     0.800 peak   689 spectrum    1 weight  0.10000E+01 volume  0.29489E-02 ppm1      7.882 ppm2      2.702 CV     1
 ASSI {  690}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      3.400     1.400     1.400 peak   690 spectrum    1 weight  0.10000E+01 volume  0.71843E-03 ppm1      7.882 ppm2      0.941 CV     1
 ASSI {  692}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.900     1.900     1.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.39236E-03 ppm1      7.886 ppm2      3.584 CV     1
 ASSI {  693}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.800     1.800     1.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.49892E-03 ppm1      7.883 ppm2      3.890 CV     1
 ASSI {  695}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.700     1.700     1.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.66922E-03 ppm1      7.882 ppm2      4.627 CV     1
 ASSI {  696}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.400     0.700     0.700 peak   696 spectrum    1 weight  0.10000E+01 volume  0.42340E-02 ppm1      7.882 ppm2      7.712 CV     1
 ASSI {  698}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.500     0.800     0.800 peak   698 spectrum    1 weight  0.10000E+01 volume  0.39552E-02 ppm1      7.481 ppm2      2.418 CV     1
 OR {  698}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  699}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.900     1.900     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.59952E-03 ppm1      7.482 ppm2      0.351 CV     1
 ASSI {  702}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      4.600     2.700     1.400 peak   702 spectrum    1 weight  0.10000E+01 volume  0.53330E-03 ppm1      7.474 ppm2      3.225 CV     1
 ASSI {  703}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HD2 ))
      4.100     2.100     1.900 peak   703 spectrum    1 weight  0.10000E+01 volume  0.30647E-03 ppm1      7.477 ppm2      3.818 CV     1
 ASSI {  705}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.900     1.100     1.100 peak   705 spectrum    1 weight  0.10000E+01 volume  0.11967E-02 ppm1      7.482 ppm2      8.659 CV     1
 ASSI {  707}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 77   and name HN  ))
      3.400     1.400     1.400 peak   707 spectrum    1 weight  0.10000E+01 volume  0.28085E-03 ppm1      7.727 ppm2      8.481 CV     1
 ASSI {  708}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.84178E-03 ppm1      7.634 ppm2      3.896 CV     1
 ASSI {  709}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 77   and name HA  ))
      3.600     1.600     1.600 peak   709 spectrum    1 weight  0.10000E+01 volume  0.14209E-02 ppm1      7.734 ppm2      3.892 CV     1
 ASSI {  710}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HG1 ))
      3.400     1.500     1.500 peak   710 spectrum    1 weight  0.10000E+01 volume  0.20159E-02 ppm1      7.732 ppm2      2.704 CV     1
 ASSI {  711}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HG2 ))
      3.600     1.700     1.700 peak   711 spectrum    1 weight  0.10000E+01 volume  0.14676E-02 ppm1      7.732 ppm2      2.576 CV     1
 ASSI {  712}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HG2 ))
      3.500     1.500     1.500 peak   712 spectrum    1 weight  0.10000E+01 volume  0.62176E-03 ppm1      7.635 ppm2      2.578 CV     1
 ASSI {  713}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HG1 ))
      3.100     1.200     1.200 peak   713 spectrum    1 weight  0.10000E+01 volume  0.10095E-02 ppm1      7.635 ppm2      2.702 CV     1
 ASSI {  715}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 77   and name HD1%)
      2.700     2.700     3.300 peak   715 spectrum    1 weight  0.10000E+01 volume  0.11548E-02 ppm1      7.633 ppm2      0.819 CV     1
 OR {  715}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  718}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 77   and name HD1%)
      2.700     2.700     3.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.10949E-02 ppm1      7.733 ppm2      0.817 CV     1
 OR {  718}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  719}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 4    and name HG1 ))
      3.500     1.500     1.500 peak   719 spectrum    1 weight  0.10000E+01 volume  0.72082E-03 ppm1      6.833 ppm2      2.233 CV     1
 ASSI {  720}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HG1 ))
      3.900     1.900     1.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.13025E-02 ppm1      7.507 ppm2      2.224 CV     1
 ASSI {  721}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HG2 ))
      4.000     2.000     2.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.10156E-02 ppm1      7.505 ppm2      2.168 CV     1
 OR {  721}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  722}
   (( segid "    " and resid 4    and name HE21))
   (  segid "    " and resid 28   and name HD2%)
      3.800     1.800     1.800 peak   722 spectrum    1 weight  0.10000E+01 volume  0.59433E-03 ppm1      6.833 ppm2      0.913 CV     1
 ASSI {  723}
   (( segid "    " and resid 4    and name HE22))
   (  segid "    " and resid 28   and name HD2%)
      4.800     2.900     1.200 peak   723 spectrum    1 weight  0.10000E+01 volume  0.27577E-03 ppm1      7.492 ppm2      0.926 CV     1
 ASSI {  728}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 16   and name HB1 ))
      3.700     1.700     1.700 peak   728 spectrum    1 weight  0.10000E+01 volume  0.20667E-02 ppm1      8.062 ppm2      3.102 CV     1
 ASSI {  729}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 16   and name HB2 ))
      4.100     2.100     1.900 peak   729 spectrum    1 weight  0.10000E+01 volume  0.97781E-03 ppm1      8.058 ppm2      2.746 CV     1
 ASSI {  731}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 16   and name HB2 ))
      3.300     1.400     1.400 peak   731 spectrum    1 weight  0.10000E+01 volume  0.44619E-03 ppm1      6.849 ppm2      2.744 CV     1
 ASSI {  732}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 16   and name HB1 ))
      3.600     1.600     1.600 peak   732 spectrum    1 weight  0.10000E+01 volume  0.10316E-02 ppm1      6.849 ppm2      3.115 CV     1
 ASSI {  736}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HB1 ))
      3.500     1.600     1.600 peak   736 spectrum    1 weight  0.10000E+01 volume  0.70653E-03 ppm1      6.997 ppm2      3.037 CV     1
 ASSI {  737}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HB2 ))
      2.900     1.100     1.100 peak   737 spectrum    1 weight  0.10000E+01 volume  0.12262E-02 ppm1      6.995 ppm2      2.725 CV     1
 ASSI {  740}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.900     1.100     1.100 peak   740 spectrum    1 weight  0.10000E+01 volume  0.21987E-02 ppm1      8.257 ppm2      4.380 CV     1
 ASSI {  741}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.700     1.700     1.700 peak   741 spectrum    1 weight  0.10000E+01 volume  0.69967E-03 ppm1      8.257 ppm2      4.212 CV     1
 ASSI {  744}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.900     1.000     1.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.19112E-02 ppm1      8.258 ppm2      2.213 CV     1
 ASSI {  746}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
      3.000     1.100     1.100 peak   746 spectrum    1 weight  0.10000E+01 volume  0.17545E-02 ppm1      8.258 ppm2      1.648 CV     1
 OR {  746}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  750}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      2.800     1.000     1.000 peak   750 spectrum    1 weight  0.10000E+01 volume  0.32779E-02 ppm1      8.498 ppm2      0.525 CV     1
 ASSI {  752}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.900     0.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.22994E-02 ppm1      8.643 ppm2      8.017 CV     1
 ASSI {  753}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.600     0.800     0.800 peak   753 spectrum    1 weight  0.10000E+01 volume  0.19124E-02 ppm1      8.642 ppm2      8.209 CV     1
 ASSI {  754}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      2.900     1.100     1.100 peak   754 spectrum    1 weight  0.10000E+01 volume  0.40823E-02 ppm1      8.643 ppm2      4.176 CV     1
 ASSI {  755}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.600     1.600     1.600 peak   755 spectrum    1 weight  0.10000E+01 volume  0.70490E-03 ppm1      8.643 ppm2      4.087 CV     1
 ASSI {  756}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA2 ))
      3.200     1.300     1.300 peak   756 spectrum    1 weight  0.10000E+01 volume  0.93405E-03 ppm1      8.641 ppm2      3.772 CV     1
 ASSI {  757}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.100     0.600     0.600 peak   757 spectrum    1 weight  0.10000E+01 volume  0.82808E-02 ppm1      8.643 ppm2      3.673 CV     1
 ASSI {  762}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.500     0.800     0.800 peak   762 spectrum    1 weight  0.10000E+01 volume  0.25470E-02 ppm1      7.939 ppm2      8.516 CV     1
 ASSI {  763}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD% )
      4.300     2.300     1.700 peak   763 spectrum    1 weight  0.10000E+01 volume  0.10227E-02 ppm1      7.940 ppm2      6.815 CV     1
 ASSI {  764}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.700     0.900     0.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.29280E-02 ppm1      7.941 ppm2      4.217 CV     1
 ASSI {  765}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   765 spectrum    1 weight  0.10000E+01 volume  0.12308E-02 ppm1      7.940 ppm2      4.109 CV     1
 ASSI {  768}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      4.500     2.500     1.500 peak   768 spectrum    1 weight  0.10000E+01 volume  0.58901E-03 ppm1      7.939 ppm2      1.780 CV     1
 ASSI {  771}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      2.900     1.000     1.000 peak   771 spectrum    1 weight  0.10000E+01 volume  0.18057E-02 ppm1      8.134 ppm2      7.463 CV     1
 ASSI {  772}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.600     0.800     0.800 peak   772 spectrum    1 weight  0.10000E+01 volume  0.48627E-02 ppm1      8.975 ppm2      4.150 CV     1
 OR {  772}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 OR {  772}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  774}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.900     1.000     1.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.26009E-02 ppm1      8.976 ppm2      3.084 CV     1
 ASSI {  776}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.000     1.200     1.200 peak   776 spectrum    1 weight  0.10000E+01 volume  0.14261E-02 ppm1      8.974 ppm2      8.120 CV     1
 ASSI {  778}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak   778 spectrum    1 weight  0.10000E+01 volume  0.23994E-02 ppm1      7.807 ppm2      6.463 CV     1
 ASSI {  779}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.500     1.600     1.600 peak   779 spectrum    1 weight  0.10000E+01 volume  0.90678E-03 ppm1      7.809 ppm2      4.816 CV     1
 ASSI {  780}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.400     1.400 peak   780 spectrum    1 weight  0.10000E+01 volume  0.57238E-03 ppm1      7.810 ppm2      4.670 CV     1
 ASSI {  781}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      2.300     0.700     0.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.43928E-02 ppm1      7.809 ppm2      3.943 CV     1
 ASSI {  782}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
      2.900     1.000     1.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.29311E-02 ppm1      7.808 ppm2      4.056 CV     1
 ASSI {  783}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      3.100     1.200     1.200 peak   783 spectrum    1 weight  0.10000E+01 volume  0.16075E-02 ppm1      7.809 ppm2      1.537 CV     1
 ASSI {  784}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
      3.200     3.200     2.800 peak   784 spectrum    1 weight  0.10000E+01 volume  0.41216E-03 ppm1      7.799 ppm2      1.319 CV     1
 ASSI {  786}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      4.300     2.400     1.700 peak   786 spectrum    1 weight  0.10000E+01 volume  0.55265E-03 ppm1      7.810 ppm2      1.628 CV     1
 ASSI {  790}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.500     1.500     1.500 peak   790 spectrum    1 weight  0.10000E+01 volume  0.73229E-03 ppm1      8.788 ppm2      3.811 CV     1
 ASSI {  792}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
      2.500     0.800     0.800 peak   792 spectrum    1 weight  0.10000E+01 volume  0.25730E-02 ppm1      8.789 ppm2      2.090 CV     1
 ASSI {  793}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.300     0.600     0.600 peak   793 spectrum    1 weight  0.10000E+01 volume  0.40321E-02 ppm1      8.789 ppm2      2.243 CV     1
 ASSI {  794}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
      4.000     2.000     2.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.16958E-02 ppm1      8.788 ppm2      1.060 CV     1
 ASSI {  798}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      4.300     2.400     1.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.69242E-03 ppm1      8.789 ppm2      0.910 CV     1
 ASSI {  801}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.400     0.700     0.700 peak   801 spectrum    1 weight  0.10000E+01 volume  0.18157E-02 ppm1      8.459 ppm2      2.055 CV     1
 ASSI {  802}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
      2.800     2.800     3.200 peak   802 spectrum    1 weight  0.10000E+01 volume  0.55115E-02 ppm1      8.460 ppm2      1.750 CV     1
 ASSI {  803}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.600     1.600     1.600 peak   803 spectrum    1 weight  0.10000E+01 volume  0.79143E-03 ppm1      8.460 ppm2      1.531 CV     1
 ASSI {  804}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.700     0.900     0.900 peak   804 spectrum    1 weight  0.10000E+01 volume  0.12772E-02 ppm1      8.460 ppm2      1.463 CV     1
 ASSI {  805}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      4.400     2.500     1.600 peak   805 spectrum    1 weight  0.10000E+01 volume  0.70410E-03 ppm1      8.457 ppm2      1.333 CV     1
 OR {  805}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI {  806}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      4.400     2.400     1.600 peak   806 spectrum    1 weight  0.10000E+01 volume  0.55010E-03 ppm1      8.461 ppm2      0.801 CV     1
 ASSI {  807}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      3.100     1.200     1.200 peak   807 spectrum    1 weight  0.10000E+01 volume  0.10166E-02 ppm1      8.462 ppm2      0.899 CV     1
 ASSI {  809}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.700     0.900     0.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.31950E-02 ppm1      8.689 ppm2      3.104 CV     1
 ASSI {  810}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.500     0.800     0.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.33976E-02 ppm1      8.689 ppm2      2.739 CV     1
 ASSI {  814}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.800     1.000     1.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.18361E-02 ppm1      8.690 ppm2      2.244 CV     1
 ASSI {  816}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.500     1.500     1.500 peak   816 spectrum    1 weight  0.10000E+01 volume  0.15711E-02 ppm1      8.689 ppm2      0.993 CV     1
 ASSI {  818}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      4.200     2.200     1.800 peak   818 spectrum    1 weight  0.10000E+01 volume  0.93438E-03 ppm1      8.690 ppm2      1.167 CV     1
 ASSI {  822}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.400     0.700     0.700 peak   822 spectrum    1 weight  0.10000E+01 volume  0.47060E-02 ppm1      8.179 ppm2      4.677 CV     1
 ASSI {  823}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      3.000     1.200     1.200 peak   823 spectrum    1 weight  0.10000E+01 volume  0.31720E-02 ppm1      8.178 ppm2      2.002 CV     1
 ASSI {  824}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.500     0.800     0.800 peak   824 spectrum    1 weight  0.10000E+01 volume  0.48103E-02 ppm1      8.178 ppm2      1.682 CV     1
 OR {  824}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB1 ))
 ASSI {  825}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG1 ))
      3.400     1.400     1.400 peak   825 spectrum    1 weight  0.10000E+01 volume  0.93953E-03 ppm1      8.182 ppm2      1.345 CV     1
 OR {  825}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
 ASSI {  827}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   827 spectrum    1 weight  0.10000E+01 volume  0.89857E-02 ppm1      8.243 ppm2      3.951 CV     1
 ASSI {  829}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.000     2.000     2.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.39028E-03 ppm1      8.245 ppm2      8.995 CV     1
 ASSI {  830}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.500     1.600     1.600 peak   830 spectrum    1 weight  0.10000E+01 volume  0.13136E-02 ppm1      8.243 ppm2      3.084 CV     1
 ASSI {  831}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.800     1.000     1.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.21252E-02 ppm1      8.243 ppm2      2.749 CV     1
 ASSI {  832}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.800     1.800     1.800 peak   832 spectrum    1 weight  0.10000E+01 volume  0.33084E-03 ppm1      8.244 ppm2      3.670 CV     1
 ASSI {  833}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      4.000     2.000     2.000 peak   833 spectrum    1 weight  0.10000E+01 volume  0.51525E-03 ppm1      8.241 ppm2      1.878 CV     1
 ASSI {  834}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      4.600     2.600     1.400 peak   834 spectrum    1 weight  0.10000E+01 volume  0.20383E-03 ppm1      8.241 ppm2      1.544 CV     1
 ASSI {  835}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      2.900     1.000     1.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.38230E-02 ppm1      8.243 ppm2      0.926 CV     1
 OR {  835}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI {  836}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.300     1.400     1.400 peak   836 spectrum    1 weight  0.10000E+01 volume  0.10992E-02 ppm1      8.208 ppm2      4.483 CV     1
 ASSI {  837}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.18453E-02 ppm1      8.211 ppm2      4.103 CV     1
 ASSI {  838}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.600     2.600     1.400 peak   838 spectrum    1 weight  0.10000E+01 volume  0.63881E-03 ppm1      8.210 ppm2      3.675 CV     1
 ASSI {  839}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.500     1.600     1.600 peak   839 spectrum    1 weight  0.10000E+01 volume  0.46131E-03 ppm1      8.209 ppm2      3.409 CV     1
 ASSI {  840}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.900     1.100     1.100 peak   840 spectrum    1 weight  0.10000E+01 volume  0.22122E-02 ppm1      8.211 ppm2      3.110 CV     1
 ASSI {  841}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      5.100     3.300     0.900 peak   841 spectrum    1 weight  0.10000E+01 volume  0.50160E-03 ppm1      8.210 ppm2      4.196 CV     1
 ASSI {  843}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      2.300     0.700     0.700 peak   843 spectrum    1 weight  0.10000E+01 volume  0.53892E-02 ppm1      8.210 ppm2      1.605 CV     1
 ASSI {  844}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      4.000     2.000     2.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.87126E-03 ppm1      8.206 ppm2      0.925 CV     1
 ASSI {  846}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      4.600     2.700     1.400 peak   846 spectrum    1 weight  0.10000E+01 volume  0.37846E-03 ppm1      8.213 ppm2      0.410 CV     1
 ASSI {  847}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
      4.000     2.000     2.000 peak   847 spectrum    1 weight  0.10000E+01 volume  0.55131E-03 ppm1      8.212 ppm2      6.994 CV     1
 ASSI {  849}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     2.800     3.200 peak   849 spectrum    1 weight  0.10000E+01 volume  0.90971E-03 ppm1      8.211 ppm2      8.541 CV     1
 ASSI {  851}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.700     1.700     1.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.58746E-03 ppm1      8.516 ppm2      4.229 CV     1
 ASSI {  852}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      4.200     2.200     1.800 peak   852 spectrum    1 weight  0.10000E+01 volume  0.28449E-03 ppm1      8.516 ppm2      4.096 CV     1
 ASSI {  856}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   856 spectrum    1 weight  0.10000E+01 volume  0.30277E-02 ppm1      8.689 ppm2      8.786 CV     1
 ASSI {  859}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.800     1.000     1.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.13085E-02 ppm1      8.493 ppm2      8.259 CV     1
 ASSI {  863}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      5.200     3.400     0.800 peak   863 spectrum    1 weight  0.10000E+01 volume  0.56618E-03 ppm1      8.149 ppm2      3.579 CV     1
 ASSI {  864}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.100     1.200     1.200 peak   864 spectrum    1 weight  0.10000E+01 volume  0.61963E-03 ppm1      8.151 ppm2      4.914 CV     1
 ASSI {  865}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.500     1.500 peak   865 spectrum    1 weight  0.10000E+01 volume  0.77447E-03 ppm1      6.356 ppm2      7.493 CV     1
 ASSI {  866}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.100     0.500     0.500 peak   866 spectrum    1 weight  0.10000E+01 volume  0.56250E-02 ppm1      6.355 ppm2      3.530 CV     1
 ASSI {  868}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak   868 spectrum    1 weight  0.10000E+01 volume  0.17014E-02 ppm1      6.356 ppm2      1.541 CV     1
 ASSI {  870}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
      2.600     0.800     0.800 peak   870 spectrum    1 weight  0.10000E+01 volume  0.27321E-02 ppm1      6.353 ppm2      1.337 CV     1
 OR {  870}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  871}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      2.300     0.700     0.700 peak   871 spectrum    1 weight  0.10000E+01 volume  0.17586E-02 ppm1      6.356 ppm2      1.802 CV     1
 ASSI {  873}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.300     1.400     1.400 peak   873 spectrum    1 weight  0.10000E+01 volume  0.19134E-02 ppm1      6.354 ppm2      2.050 CV     1
 ASSI {  874}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      4.000     2.000     2.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.57678E-03 ppm1      6.352 ppm2      0.431 CV     1
 ASSI {  878}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HE1 ))
      4.700     2.800     1.300 peak   878 spectrum    1 weight  0.10000E+01 volume  0.37240E-03 ppm1      6.350 ppm2      3.037 CV     1
 OR {  878}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HE2 ))
 ASSI {  879}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      3.600     1.600     1.600 peak   879 spectrum    1 weight  0.10000E+01 volume  0.14769E-02 ppm1      8.494 ppm2      0.816 CV     1
 OR {  879}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  884}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
      4.600     2.600     1.400 peak   884 spectrum    1 weight  0.10000E+01 volume  0.25799E-03 ppm1      7.044 ppm2      2.477 CV     1
 OR {  884}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H38A))
 OR {  884}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H38B))
 OR {  884}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {  886}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      5.200     3.400     0.800 peak   886 spectrum    1 weight  0.10000E+01 volume  0.20902E-03 ppm1      8.310 ppm2      3.596 CV     1
 ASSI {  887}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      4.700     2.800     1.300 peak   887 spectrum    1 weight  0.10000E+01 volume  0.46947E-03 ppm1      8.312 ppm2      2.187 CV     1
 ASSI {  889}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      4.400     2.400     1.600 peak   889 spectrum    1 weight  0.10000E+01 volume  0.23659E-03 ppm1      7.909 ppm2      3.310 CV     1
 ASSI {  890}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.700     1.700     1.700 peak   890 spectrum    1 weight  0.10000E+01 volume  0.74402E-03 ppm1      7.912 ppm2      4.062 CV     1
 ASSI {  892}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      2.800     1.000     1.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.28949E-02 ppm1      8.014 ppm2      4.178 CV     1
 ASSI {  893}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.800     1.000     1.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.39032E-02 ppm1      8.017 ppm2      1.972 CV     1
 ASSI {  894}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.400     0.700     0.700 peak   894 spectrum    1 weight  0.10000E+01 volume  0.36747E-02 ppm1      8.015 ppm2      1.899 CV     1
 ASSI {  895}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      3.800     1.800     1.800 peak   895 spectrum    1 weight  0.10000E+01 volume  0.87047E-03 ppm1      8.015 ppm2      1.475 CV     1
 OR {  895}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
 ASSI {  896}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HD2 ))
      4.800     2.900     1.200 peak   896 spectrum    1 weight  0.10000E+01 volume  0.41278E-03 ppm1      8.011 ppm2      1.655 CV     1
 ASSI {  897}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HD1 ))
      4.500     2.600     1.500 peak   897 spectrum    1 weight  0.10000E+01 volume  0.45398E-03 ppm1      8.010 ppm2      1.765 CV     1
 ASSI {  898}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      3.800     1.800     1.800 peak   898 spectrum    1 weight  0.10000E+01 volume  0.12885E-02 ppm1      8.016 ppm2      1.105 CV     1
 ASSI {  899}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.700     2.800     1.300 peak   899 spectrum    1 weight  0.10000E+01 volume  0.39889E-03 ppm1      8.016 ppm2      0.540 CV     1
 OR {  899}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  900}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HD2 ))
      4.500     2.500     1.500 peak   900 spectrum    1 weight  0.10000E+01 volume  0.75294E-03 ppm1      7.039 ppm2      1.660 CV     1
 OR {  900}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HD1 ))
 ASSI {  902}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 40   and name H42B))
      4.500     2.600     1.500 peak   902 spectrum    1 weight  0.10000E+01 volume  0.26295E-03 ppm1      8.194 ppm2      3.236 CV     1
 ASSI {  903}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.900     1.900     1.900 peak   903 spectrum    1 weight  0.10000E+01 volume  0.26514E-03 ppm1      8.188 ppm2      3.860 CV     1
 ASSI {  912}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
      4.500     2.600     1.500 peak   912 spectrum    1 weight  0.10000E+01 volume  0.25950E-03 ppm1      7.282 ppm2      2.471 CV     1
 OR {  912}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {    1}
   (( segid "    " and resid 40   and name H3B ))
   (( segid "    " and resid 40   and name H4A ))
      2.300     0.700     0.700 peak     1 spectrum    1 weight  0.10000E+01 volume  0.38654E-02 ppm1      1.217 ppm2      0.745 CV     1
 OR {    1}
   (( segid "    " and resid 40   and name H3A ))
   (( segid "    " and resid 40   and name H4B ))
 OR {    1}
   (( segid "    " and resid 40   and name H3B ))
   (( segid "    " and resid 40   and name H4B ))
 OR {    1}
   (( segid "    " and resid 40   and name H3A ))
   (( segid "    " and resid 40   and name H4A ))
 ASSI {    2}
   (( segid "    " and resid 40   and name H3A ))
   (( segid "    " and resid 40   and name H5A ))
      2.700     0.900     0.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.32765E-02 ppm1      1.215 ppm2      0.652 CV     1
 OR {    2}
   (( segid "    " and resid 40   and name H3B ))
   (( segid "    " and resid 40   and name H5B ))
 OR {    2}
   (( segid "    " and resid 40   and name H3B ))
   (( segid "    " and resid 40   and name H5A ))
 OR {    2}
   (( segid "    " and resid 40   and name H3A ))
   (( segid "    " and resid 40   and name H5B ))
 OR {    2}
   (( segid "    " and resid 40   and name H3A ))
   (( segid "    " and resid 40   and name H6B ))
 OR {    2}
   (( segid "    " and resid 40   and name H3A ))
   (( segid "    " and resid 40   and name H6A ))
 OR {    2}
   (( segid "    " and resid 40   and name H3B ))
   (( segid "    " and resid 40   and name H6B ))
 ASSI {    3}
   (( segid "    " and resid 40   and name H36A))
   (( segid "    " and resid 40   and name H38B))
      2.700     0.900     0.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.38002E-02 ppm1      8.027 ppm2      2.441 CV     1
 OR {    3}
   (( segid "    " and resid 40   and name H36A))
   (( segid "    " and resid 40   and name H38A))
 ASSI {    4}
   (( segid "    " and resid 40   and name H41A))
   (( segid "    " and resid 40   and name H38B))
      2.100     0.500     0.500 peak     4 spectrum    1 weight  0.10000E+01 volume  0.13795E-01 ppm1      8.176 ppm2      2.440 CV     1
 OR {    4}
   (( segid "    " and resid 40   and name H41A))
   (( segid "    " and resid 40   and name H38A))
 ASSI {    1}
   (( segid "    " and resid 40   and name H28A))
   (  segid "    " and resid 40   and name H31%)
      2.600     0.800     0.800 peak     1 spectrum    1 weight  0.10000E+01 volume  0.13089E-01 ppm1      3.718 ppm2      0.877 CV     1
 ASSI {    2}
   (( segid "    " and resid 40   and name H28A))
   (  segid "    " and resid 40   and name H30%)
      2.800     1.000     1.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.48179E-02 ppm1      3.717 ppm2      0.860 CV     1
 ASSI {    3}
   (( segid "    " and resid 40   and name H28B))
   (  segid "    " and resid 40   and name H31%)
      2.400     0.700     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.13028E-01 ppm1      3.387 ppm2      0.877 CV     1
 ASSI {    4}
   (( segid "    " and resid 40   and name H28B))
   (  segid "    " and resid 40   and name H30%)
      2.300     0.700     0.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.65954E-02 ppm1      3.388 ppm2      0.860 CV     1
 ASSI {    5}
   (( segid "    " and resid 40   and name H32A))
   (  segid "    " and resid 40   and name H31%)
      2.600     0.900     0.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.57787E-02 ppm1      4.012 ppm2      0.876 CV     1
 ASSI {    6}
   (( segid "    " and resid 40   and name H32A))
   (  segid "    " and resid 40   and name H30%)
      3.100     1.200     1.200 peak     6 spectrum    1 weight  0.10000E+01 volume  0.63826E-02 ppm1      4.012 ppm2      0.860 CV     1
 ASSI {    9}
   (( segid "    " and resid 40   and name H41A))
   (  segid "    " and resid 40   and name H31%)
      2.800     2.800     3.200 peak     9 spectrum    1 weight  0.10000E+01 volume  0.76304E-03 ppm1      8.177 ppm2      0.876 CV     1
 ASSI {   10}
   (( segid "    " and resid 40   and name H41A))
   (  segid "    " and resid 40   and name H30%)
      3.300     1.300     1.300 peak    10 spectrum    1 weight  0.10000E+01 volume  0.15982E-02 ppm1      8.177 ppm2      0.860 CV     1
 ASSI {   11}
   (( segid "    " and resid 40   and name H36A))
   (  segid "    " and resid 40   and name H31%)
      4.200     2.200     1.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.27296E-02 ppm1      8.026 ppm2      0.874 CV     1
 ASSI {   12}
   (( segid "    " and resid 40   and name H36A))
   (  segid "    " and resid 40   and name H30%)
      3.200     1.300     1.300 peak    12 spectrum    1 weight  0.10000E+01 volume  0.40966E-02 ppm1      8.026 ppm2      0.860 CV     1
 ASSI {   13}
   (( segid "    " and resid 40   and name H38A))
   (( segid "    " and resid 40   and name H37B))
      2.500     0.800     0.800 peak    13 spectrum    1 weight  0.10000E+01 volume  0.47220E-02 ppm1      2.446 ppm2      3.544 CV     1
 OR {   13}
   (( segid "    " and resid 40   and name H38B))
   (( segid "    " and resid 40   and name H37B))
 ASSI {   14}
   (( segid "    " and resid 40   and name H38A))
   (( segid "    " and resid 40   and name H37A))
      2.500     0.800     0.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.50771E-02 ppm1      2.446 ppm2      3.408 CV     1
 OR {   14}
   (( segid "    " and resid 40   and name H38B))
   (( segid "    " and resid 40   and name H37A))
 ASSI {   19}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 40   and name H8% )
      2.500     0.800     0.800 peak    19 spectrum    1 weight  0.10000E+01 volume  0.43299E-02 ppm1      1.480 ppm2      0.609 CV     1
 ASSI {   20}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 40   and name H8% )
      3.800     1.800     1.800 peak    20 spectrum    1 weight  0.10000E+01 volume  0.54218E-03 ppm1      1.954 ppm2      0.604 CV     1
 ASSI {   21}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 40   and name H8% )
      3.600     1.600     1.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.16712E-02 ppm1      0.326 ppm2      0.609 CV     1
 ASSI {   22}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 40   and name H8% )
      3.700     1.700     1.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.18772E-02 ppm1      0.401 ppm2      0.609 CV     1
 ASSI {   23}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
      4.900     3.000     1.100 peak    23 spectrum    1 weight  0.10000E+01 volume  0.53485E-03 ppm1      4.092 ppm2      0.609 CV     1
 ASSI {   29}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H6A ))
      3.300     1.300     1.300 peak    29 spectrum    1 weight  0.10000E+01 volume  0.10116E-02 ppm1      0.403 ppm2      0.658 CV     1
 OR {   29}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H6B ))
 OR {   29}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H5B ))
 OR {   29}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H5A ))
 ASSI {   31}
   (( segid "    " and resid 40   and name H41A))
   (( segid "    " and resid 40   and name H42B))
      2.900     1.100     1.100 peak    31 spectrum    1 weight  0.10000E+01 volume  0.18292E-02 ppm1      8.176 ppm2      3.211 CV     1
 ASSI {   32}
   (( segid "    " and resid 40   and name H41A))
   (( segid "    " and resid 40   and name H42A))
      3.000     1.100     1.100 peak    32 spectrum    1 weight  0.10000E+01 volume  0.16789E-02 ppm1      8.177 ppm2      3.172 CV     1
 ASSI {   34}
   (( segid "    " and resid 40   and name H43B))
   (( segid "    " and resid 40   and name H42B))
      2.500     0.800     0.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.46981E-02 ppm1      2.824 ppm2      3.218 CV     1
 OR {   34}
   (( segid "    " and resid 40   and name H43A))
   (( segid "    " and resid 40   and name H42B))
 ASSI {   35}
   (( segid "    " and resid 40   and name H43A))
   (( segid "    " and resid 40   and name H42A))
      2.800     1.000     1.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.38264E-02 ppm1      2.825 ppm2      3.170 CV     1
 OR {   35}
   (( segid "    " and resid 40   and name H43B))
   (( segid "    " and resid 40   and name H42A))
 ASSI {   37}
   (( segid "    " and resid 40   and name H41A))
   (( segid "    " and resid 40   and name H43A))
      3.000     1.200     1.200 peak    37 spectrum    1 weight  0.10000E+01 volume  0.20585E-02 ppm1      8.176 ppm2      2.824 CV     1
 OR {   37}
   (( segid "    " and resid 40   and name H41A))
   (( segid "    " and resid 40   and name H43B))
 ASSI {   38}
   (( segid "    " and resid 40   and name H2B ))
   (( segid "    " and resid 40   and name H42B))
      4.500     2.500     1.500 peak    38 spectrum    1 weight  0.10000E+01 volume  0.64300E-03 ppm1      2.448 ppm2      3.213 CV     1
 OR {   38}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H42B))
 ASSI {   39}
   (( segid "    " and resid 40   and name H2B ))
   (( segid "    " and resid 40   and name H42A))
      3.700     1.700     1.700 peak    39 spectrum    1 weight  0.10000E+01 volume  0.69590E-03 ppm1      2.447 ppm2      3.170 CV     1
 OR {   39}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H42A))
 ASSI {   40}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H43A))
      3.700     1.700     1.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.12909E-02 ppm1      2.450 ppm2      2.823 CV     1
 OR {   40}
   (( segid "    " and resid 40   and name H2B ))
   (( segid "    " and resid 40   and name H43B))
 OR {   40}
   (( segid "    " and resid 40   and name H2B ))
   (( segid "    " and resid 40   and name H43A))
 OR {   40}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H43B))
 ASSI {   41}
   (( segid "    " and resid 40   and name H37B))
   (( segid "    " and resid 40   and name H41A))
      4.300     2.300     1.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.12273E-02 ppm1      3.541 ppm2      8.171 CV     1
 ASSI {   42}
   (( segid "    " and resid 40   and name H37A))
   (( segid "    " and resid 40   and name H41A))
      3.700     1.700     1.700 peak    42 spectrum    1 weight  0.10000E+01 volume  0.12228E-02 ppm1      3.409 ppm2      8.171 CV     1
 ASSI {   43}
   (( segid "    " and resid 40   and name H37B))
   (( segid "    " and resid 40   and name H36A))
      2.200     0.600     0.600 peak    43 spectrum    1 weight  0.10000E+01 volume  0.46591E-02 ppm1      3.538 ppm2      8.023 CV     1
 ASSI {   44}
   (( segid "    " and resid 40   and name H37A))
   (( segid "    " and resid 40   and name H36A))
      2.500     0.800     0.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.60438E-02 ppm1      3.411 ppm2      8.023 CV     1
 ASSI {   45}
   (( segid "    " and resid 40   and name H32A))
   (( segid "    " and resid 40   and name H36A))
      2.000     0.500     0.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.91369E-02 ppm1      4.012 ppm2      8.022 CV     1
 ASSI {   46}
   (( segid "    " and resid 40   and name H28A))
   (( segid "    " and resid 40   and name H36A))
      2.500     0.800     0.800 peak    46 spectrum    1 weight  0.10000E+01 volume  0.93685E-03 ppm1      3.717 ppm2      8.023 CV     1
 ASSI {   47}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H43A))
      4.200     2.200     1.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.71583E-03 ppm1      1.537 ppm2      2.823 CV     1
 ASSI {   51}
   (( segid "    " and resid 40   and name H43A))
   (  segid "    " and resid 40   and name H31%)
      2.600     2.600     3.400 peak    51 spectrum    1 weight  0.10000E+01 volume  0.12186E-02 ppm1      2.824 ppm2      0.876 CV     1
 OR {   51}
   (( segid "    " and resid 40   and name H43B))
   (  segid "    " and resid 40   and name H31%)
 ASSI {   52}
   (( segid "    " and resid 40   and name H43A))
   (  segid "    " and resid 40   and name H30%)
      3.300     1.400     1.400 peak    52 spectrum    1 weight  0.10000E+01 volume  0.18722E-02 ppm1      2.822 ppm2      0.860 CV     1
 OR {   52}
   (( segid "    " and resid 40   and name H43B))
   (  segid "    " and resid 40   and name H30%)
 ASSI {   53}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H38A))
      3.500     1.500     1.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.99013E-03 ppm1      1.536 ppm2      2.458 CV     1
 OR {   53}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H38B))
 ASSI {   54}
   (( segid "    " and resid 66   and name HG  ))
   (( segid "    " and resid 40   and name H2A ))
      4.900     3.000     1.100 peak    54 spectrum    1 weight  0.10000E+01 volume  0.62515E-03 ppm1      1.796 ppm2      2.454 CV     1
 OR {   54}
   (( segid "    " and resid 66   and name HG  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {   56}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 40   and name H31%)
      2.800     2.800     3.200 peak    56 spectrum    1 weight  0.10000E+01 volume  0.90988E-03 ppm1      4.291 ppm2      0.877 CV     1
 ASSI {   57}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 40   and name H30%)
      2.900     2.900     3.100 peak    57 spectrum    1 weight  0.10000E+01 volume  0.63399E-03 ppm1      4.293 ppm2      0.858 CV     1
 ASSI {   58}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H28A))
      3.500     1.500     1.500 peak    58 spectrum    1 weight  0.10000E+01 volume  0.99775E-03 ppm1      4.139 ppm2      3.720 CV     1
 OR {   58}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H28A))
 OR {   58}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H28A))
 ASSI {   59}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H28B))
      3.400     1.500     1.500 peak    59 spectrum    1 weight  0.10000E+01 volume  0.11482E-02 ppm1      4.139 ppm2      3.388 CV     1
 OR {   59}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H28B))
 OR {   59}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H28B))
 ASSI {   60}
   (( segid "    " and resid 40   and name H28A))
   (( segid "    " and resid 40   and name H32A))
      2.400     0.700     0.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.52468E-02 ppm1      3.719 ppm2      4.011 CV     1
 ASSI {   61}
   (( segid "    " and resid 40   and name H37B))
   (( segid "    " and resid 40   and name H32A))
      4.000     2.000     2.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.17610E-02 ppm1      3.541 ppm2      4.010 CV     1
 ASSI {   64}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 40   and name H7B ))
      3.500     1.600     1.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.65489E-03 ppm1      3.300 ppm2      0.912 CV     1
 OR {   64}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 40   and name H7A ))
 ASSI {   65}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name H30%)
      3.400     1.500     1.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.45096E-02 ppm1      4.148 ppm2      0.860 CV     1
 ASSI {   66}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name H31%)
      4.300     2.300     1.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.15038E-02 ppm1      4.137 ppm2      0.877 CV     1
 OR {   66}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name H31%)
 OR {   66}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name H31%)
 ASSI {   67}
   (( segid "    " and resid 40   and name H38B))
   (( segid "    " and resid 40   and name H32A))
      4.500     2.500     1.500 peak    67 spectrum    1 weight  0.10000E+01 volume  0.21081E-02 ppm1      2.447 ppm2      4.010 CV     1
 OR {   67}
   (( segid "    " and resid 40   and name H38A))
   (( segid "    " and resid 40   and name H32A))
 ASSI {   68}
   (( segid "    " and resid 40   and name H43A))
   (( segid "    " and resid 40   and name H32A))
      3.100     3.100     2.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.45976E-03 ppm1      2.822 ppm2      4.009 CV     1
 OR {   68}
   (( segid "    " and resid 40   and name H43B))
   (( segid "    " and resid 40   and name H32A))
 ASSI {   69}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H32A))
      4.200     2.200     1.800 peak    69 spectrum    1 weight  0.10000E+01 volume  0.19014E-02 ppm1      4.148 ppm2      4.014 CV     1
 OR {   69}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H32A))
 ASSI {   70}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name H30%)
      4.100     2.100     1.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.40031E-02 ppm1      4.117 ppm2      0.859 CV     1
 ASSI {   71}
   (( segid "    " and resid 40   and name H2B ))
   (( segid "    " and resid 40   and name H5A ))
      3.800     1.800     1.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.24228E-02 ppm1      2.456 ppm2      0.656 CV     1
 OR {   71}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H5A ))
 OR {   71}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H5B ))
 OR {   71}
   (( segid "    " and resid 40   and name H2B ))
   (( segid "    " and resid 40   and name H5B ))
 OR {   71}
   (( segid "    " and resid 40   and name H2B ))
   (( segid "    " and resid 40   and name H6B ))
 OR {   71}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H6B ))
 OR {   71}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H6A ))
 ASSI {   72}
   (( segid "    " and resid 40   and name H2B ))
   (( segid "    " and resid 40   and name H4B ))
      2.700     0.900     0.900 peak    72 spectrum    1 weight  0.10000E+01 volume  0.26068E-02 ppm1      2.456 ppm2      0.745 CV     1
 OR {   72}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H4A ))
 OR {   72}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H4B ))
 OR {   72}
   (( segid "    " and resid 40   and name H2B ))
   (( segid "    " and resid 40   and name H4A ))
 ASSI {   73}
   (( segid "    " and resid 40   and name H3A ))
   (( segid "    " and resid 40   and name H7A ))
      5.800     4.200     0.200 peak    73 spectrum    1 weight  0.10000E+01 volume  0.26855E-03 ppm1      1.216 ppm2      0.911 CV     1
 OR {   73}
   (( segid "    " and resid 40   and name H3A ))
   (( segid "    " and resid 40   and name H7B ))
 OR {   73}
   (( segid "    " and resid 40   and name H3B ))
   (( segid "    " and resid 40   and name H7B ))
 OR {   73}
   (( segid "    " and resid 40   and name H3B ))
   (( segid "    " and resid 40   and name H7A ))
 ASSI {   74}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H7A ))
      4.000     2.000     2.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.36702E-03 ppm1      1.592 ppm2      0.905 CV     1
 ASSI {   75}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 40   and name H7B ))
      4.200     2.200     1.800 peak    75 spectrum    1 weight  0.10000E+01 volume  0.43584E-03 ppm1      1.475 ppm2      0.906 CV     1
 OR {   75}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 40   and name H7A ))
 ASSI {   77}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 40   and name H7B ))
      4.100     2.100     1.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.69627E-03 ppm1      0.313 ppm2      0.911 CV     1
 OR {   77}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 40   and name H7A ))
 ASSI {   78}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H6B ))
      3.500     1.500     1.500 peak    78 spectrum    1 weight  0.10000E+01 volume  0.48614E-03 ppm1      1.588 ppm2      0.655 CV     1
 OR {   78}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H6A ))
 ASSI {   80}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 40   and name H3A ))
      4.200     2.200     1.800 peak    80 spectrum    1 weight  0.10000E+01 volume  0.51203E-03 ppm1      3.128 ppm2      1.225 CV     1
 OR {   80}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 40   and name H3B ))
 OR {   80}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name H3A ))
 OR {   80}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name H3B ))
 ASSI {   86}
   (  segid "    " and resid 40   and name H30%)
   (( segid "    " and resid 40   and name H42A))
      5.000     3.100     1.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.69548E-03 ppm1      0.864 ppm2      3.167 CV     1
 ASSI {   87}
   (  segid "    " and resid 40   and name H30%)
   (( segid "    " and resid 40   and name H42B))
      4.300     2.300     1.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.90473E-03 ppm1      0.867 ppm2      3.211 CV     1
 ASSI {   88}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H38B))
      5.000     3.100     1.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.37379E-03 ppm1      4.141 ppm2      2.447 CV     1
 OR {   88}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H38B))
 OR {   88}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H38A))
 OR {   88}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H38A))
 ASSI {   89}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H43B))
      4.800     2.900     1.200 peak    89 spectrum    1 weight  0.10000E+01 volume  0.43224E-03 ppm1      4.145 ppm2      2.831 CV     1
 OR {   89}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H43B))
 OR {   89}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H43A))
 OR {   89}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H43A))
 ASSI {   92}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H2A ))
      5.100     3.200     0.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.50009E-03 ppm1      0.404 ppm2      2.455 CV     1
 OR {   92}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H2B ))
 ASSI {   94}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H7A ))
      4.000     2.000     2.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.69187E-03 ppm1      0.408 ppm2      0.909 CV     1
 ASSI {  101}
   (( segid "    " and resid 40   and name H36A))
   (( segid "    " and resid 40   and name H43A))
      5.900     4.300     0.100 peak   101 spectrum    1 weight  0.10000E+01 volume  0.23050E-03 ppm1      8.025 ppm2      2.821 CV     1
 OR {  101}
   (( segid "    " and resid 40   and name H36A))
   (( segid "    " and resid 40   and name H43B))
 ASSI {  103}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H42A))
      5.600     3.900     0.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.24607E-03 ppm1      1.259 ppm2      3.167 CV     1
 ASSI {  104}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H43A))
      3.900     1.900     1.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.47178E-03 ppm1      4.028 ppm2      2.820 CV     1
 OR {  104}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H43B))
 ASSI {  106}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H4B ))
      4.200     2.200     1.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.34568E-03 ppm1      7.174 ppm2      0.755 CV     1
 OR {  106}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H4A ))
 ASSI {  107}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H5A ))
      4.600     2.600     1.400 peak   107 spectrum    1 weight  0.10000E+01 volume  0.42612E-03 ppm1      7.184 ppm2      0.652 CV     1
 OR {  107}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H6B ))
 OR {  107}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H5B ))
 OR {  107}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H6A ))
 ASSI {  108}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H4B ))
      3.500     1.500     1.500 peak   108 spectrum    1 weight  0.10000E+01 volume  0.53221E-03 ppm1      6.975 ppm2      0.741 CV     1
 OR {  108}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H4A ))
 ASSI {  110}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H6B ))
      3.900     1.900     1.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.56601E-03 ppm1      6.973 ppm2      0.654 CV     1
 OR {  110}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H5A ))
 OR {  110}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H5B ))
 OR {  110}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H6A ))
 ASSI {  111}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 40   and name H8% )
      4.800     2.900     1.200 peak   111 spectrum    1 weight  0.10000E+01 volume  0.39273E-03 ppm1      6.975 ppm2      0.613 CV     1
 ASSI {  112}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 40   and name H8% )
      4.100     2.100     1.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.45159E-03 ppm1      6.858 ppm2      0.610 CV     1
 ASSI {  113}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H6B ))
      4.300     2.300     1.700 peak   113 spectrum    1 weight  0.10000E+01 volume  0.35342E-03 ppm1      6.857 ppm2      0.653 CV     1
 OR {  113}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H5A ))
 OR {  113}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H6A ))
 OR {  113}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H5B ))
 ASSI {  114}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H4B ))
      4.700     2.700     1.300 peak   114 spectrum    1 weight  0.10000E+01 volume  0.34783E-03 ppm1      6.859 ppm2      0.757 CV     1
 OR {  114}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H4A ))
 ASSI {  115}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H2B ))
      3.600     1.700     1.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.58294E-03 ppm1      7.181 ppm2      2.456 CV     1
 OR {  115}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H2A ))
 ASSI {  116}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 40   and name H4A ))
      4.700     2.800     1.300 peak   116 spectrum    1 weight  0.10000E+01 volume  0.43643E-03 ppm1      0.312 ppm2      0.752 CV     1
 OR {  116}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 40   and name H4B ))
 ASSI {  119}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H3A ))
      3.800     1.800     1.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.42189E-03 ppm1      7.182 ppm2      1.215 CV     1
 OR {  119}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H3B ))
 ASSI {  120}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H7A ))
      4.400     2.400     1.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.28643E-03 ppm1      6.965 ppm2      0.905 CV     1
 OR {  120}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H7B ))
 ASSI {  121}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H43B))
      4.000     2.000     2.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.32745E-03 ppm1      4.454 ppm2      2.815 CV     1
 OR {  121}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H43A))
 ASSI {  123}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H42B))
      4.600     2.600     1.400 peak   123 spectrum    1 weight  0.10000E+01 volume  0.24792E-03 ppm1      1.256 ppm2      3.217 CV     1
 ASSI {  124}
   (( segid "    " and resid 40   and name H41A))
   (( segid "    " and resid 40   and name H32A))
      2.900     2.900     3.100 peak   124 spectrum    1 weight  0.10000E+01 volume  0.66545E-03 ppm1      8.184 ppm2      4.011 CV     1
 ASSI {    1}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 54   and name HA  ))
      2.500     0.800     0.800 peak     1 spectrum    1 weight  0.10000E+01 volume  0.43358E-02 ppm1      7.459 ppm2      4.839 CV     1
 ASSI {    6}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HB1 ))
      3.200     1.300     1.300 peak     6 spectrum    1 weight  0.10000E+01 volume  0.13285E-02 ppm1      7.001 ppm2      3.572 CV     1
 ASSI {    7}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HB2 ))
      3.300     1.300     1.300 peak     7 spectrum    1 weight  0.10000E+01 volume  0.16131E-02 ppm1      7.004 ppm2      2.514 CV     1
 ASSI {    8}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 75   and name HA  ))
      3.300     1.300     1.300 peak     8 spectrum    1 weight  0.10000E+01 volume  0.12029E-02 ppm1      6.816 ppm2      4.216 CV     1
 ASSI {   15}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 75   and name HD% )
      1.800     0.400     0.400 peak    15 spectrum    1 weight  0.10000E+01 volume  0.22138E-01 ppm1      6.533 ppm2      6.818 CV     1
 ASSI {   16}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak    16 spectrum    1 weight  0.10000E+01 volume  0.19737E-02 ppm1      6.538 ppm2      4.510 CV     1
 ASSI {   17}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 59   and name HD1 ))
      3.500     1.500     1.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.13595E-02 ppm1      6.532 ppm2      3.814 CV     1
 OR {   17}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 59   and name HD2 ))
 ASSI {   18}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 62   and name HB2 ))
      2.900     1.000     1.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.28457E-02 ppm1      6.533 ppm2      2.418 CV     1
 OR {   18}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {   19}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 58   and name HG12))
      2.400     0.700     0.700 peak    19 spectrum    1 weight  0.10000E+01 volume  0.29515E-02 ppm1      6.534 ppm2      0.846 CV     1
 ASSI {   21}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 58   and name HG2%)
      3.000     1.100     1.100 peak    21 spectrum    1 weight  0.10000E+01 volume  0.20884E-02 ppm1      6.531 ppm2      0.356 CV     1
 ASSI {   22}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 58   and name HG11))
      4.100     2.100     1.900 peak    22 spectrum    1 weight  0.10000E+01 volume  0.72630E-03 ppm1      6.536 ppm2      1.537 CV     1
 ASSI {   24}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 54   and name HB1 ))
      2.600     0.800     0.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.32136E-02 ppm1      7.458 ppm2      3.435 CV     1
 ASSI {   25}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 54   and name HB2 ))
      2.300     0.700     0.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.44053E-02 ppm1      7.458 ppm2      2.740 CV     1
 ASSI {   26}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 54   and name HD% )
      1.900     0.400     0.400 peak    26 spectrum    1 weight  0.10000E+01 volume  0.11932E-01 ppm1      7.123 ppm2      7.460 CV     1
 ASSI {   29}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 11   and name HD2%)
      3.200     1.300     1.300 peak    29 spectrum    1 weight  0.10000E+01 volume  0.78825E-03 ppm1      7.123 ppm2      0.879 CV     1
 OR {   29}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 11   and name HD1%)
 ASSI {   32}
   (( segid "    " and resid 54   and name HZ  ))
   (  segid "    " and resid 54   and name HE% )
      2.100     0.500     0.500 peak    32 spectrum    1 weight  0.10000E+01 volume  0.63303E-02 ppm1      7.456 ppm2      7.124 CV     1
 ASSI {   33}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 32   and name HB1 ))
      2.300     0.700     0.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.52053E-02 ppm1      7.185 ppm2      3.138 CV     1
 OR {   33}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {   34}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 32   and name HA  ))
      2.900     1.100     1.100 peak    34 spectrum    1 weight  0.10000E+01 volume  0.18440E-02 ppm1      7.188 ppm2      4.087 CV     1
 ASSI {   40}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 32   and name HD% )
      2.600     0.900     0.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.20533E-02 ppm1      6.985 ppm2      7.192 CV     1
 ASSI {   46}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 32   and name HZ  ))
      2.200     0.600     0.600 peak    46 spectrum    1 weight  0.10000E+01 volume  0.71994E-02 ppm1      6.981 ppm2      6.865 CV     1
 ASSI {   49}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 72   and name HB% )
      3.700     1.700     1.700 peak    49 spectrum    1 weight  0.10000E+01 volume  0.58742E-03 ppm1      6.864 ppm2      1.599 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1  11.928   7.414  -4.388
    2    H2   ALA   1           HT2      ALA   1  10.604   7.211  -3.366
    3    H3   ALA   1           HT3      ALA   1  11.294   8.747  -3.537
    4    HA   ALA   1           HA       ALA   1  10.653   8.694  -5.896
    5    HB1  ALA   1           HB1      ALA   1   8.932   7.099  -6.550
    6    HB2  ALA   1           HB2      ALA   1   9.042   6.321  -4.971
    7    HB3  ALA   1           HB3      ALA   1  10.416   6.268  -6.077
    8    H    ALA   2           HN       ALA   2   8.957   8.127  -2.799
    9    HA   ALA   2           HA       ALA   2   7.471  10.561  -3.192
   10    HB1  ALA   2           HB1      ALA   2   6.182   7.852  -2.787
   11    HB2  ALA   2           HB2      ALA   2   6.030   8.870  -4.217
   12    HB3  ALA   2           HB3      ALA   2   5.338   9.393  -2.686
   13    H    THR   3           HN       THR   3   6.665  11.308  -1.037
   14    HA   THR   3           HA       THR   3   8.109   9.978   1.105
   15    HB   THR   3           HB       THR   3   6.558  12.550   1.532
   16    HG1  THR   3           HG1      THR   3   7.646  12.879  -0.403
   17   HG21  THR   3          HG21      THR   3   8.458  13.110   2.968
   18   HG22  THR   3          HG22      THR   3   9.324  11.686   2.423
   19   HG23  THR   3          HG23      THR   3   7.893  11.505   3.425
   20    H    GLN   4           HN       GLN   4   6.347  10.678   3.326
   21    HA   GLN   4           HA       GLN   4   5.030   8.224   3.278
   22    HB2  GLN   4           HB2      GLN   4   4.103   8.771   5.442
   23    HB3  GLN   4           HB1      GLN   4   5.803   9.185   5.358
   24    HG2  GLN   4           HG2      GLN   4   5.225  11.536   5.089
   25    HG3  GLN   4           HG1      GLN   4   3.511  11.125   5.126
   26   HE21  GLN   4          HE21      GLN   4   3.049  12.296   6.946
   27   HE22  GLN   4          HE22      GLN   4   3.652  11.884   8.512
   28    H    GLU   5           HN       GLU   5   3.687  11.452   2.771
   29    HA   GLU   5           HA       GLU   5   1.007  10.481   2.757
   30    HB2  GLU   5           HB2      GLU   5   0.386  12.734   2.048
   31    HB3  GLU   5           HB1      GLU   5   1.490  12.814   3.401
   32    HG2  GLU   5           HG2      GLU   5   2.424  13.169   0.557
   33    HG3  GLU   5           HG1      GLU   5   1.776  14.502   1.499
   34    H    GLU   6           HN       GLU   6   3.502  11.095   0.510
   35    HA   GLU   6           HA       GLU   6   1.894  10.961  -1.832
   36    HB2  GLU   6           HB2      GLU   6   4.859  10.757  -1.441
   37    HB3  GLU   6           HB1      GLU   6   4.049  10.970  -2.994
   38    HG2  GLU   6           HG2      GLU   6   3.263  13.112  -2.350
   39    HG3  GLU   6           HG1      GLU   6   3.826  12.877  -0.695
   40    H    ILE   7           HN       ILE   7   3.833   8.696   0.032
   41    HA   ILE   7           HA       ILE   7   3.796   6.570  -1.718
   42    HB   ILE   7           HB       ILE   7   3.636   6.481   1.317
   43   HG12  ILE   7          HG12      ILE   7   5.715   7.500   0.448
   44   HG13  ILE   7          HG11      ILE   7   6.033   5.971   1.256
   45   HG21  ILE   7          HG21      ILE   7   4.236   4.217  -0.585
   46   HG22  ILE   7          HG22      ILE   7   2.802   4.382   0.427
   47   HG23  ILE   7          HG23      ILE   7   4.384   4.132   1.170
   48   HD11  ILE   7          HD11      ILE   7   6.251   4.872  -0.903
   49   HD12  ILE   7          HD12      ILE   7   7.366   6.233  -0.769
   50   HD13  ILE   7          HD13      ILE   7   5.883   6.388  -1.719
   51    H    VAL   8           HN       VAL   8   1.643   7.399   0.991
   52    HA   VAL   8           HA       VAL   8  -0.383   5.526   0.701
   53    HB   VAL   8           HB       VAL   8  -0.565   8.396   1.692
   54   HG11  VAL   8          HG11      VAL   8  -2.770   7.508   1.150
   55   HG12  VAL   8          HG12      VAL   8  -2.559   7.667   2.895
   56   HG13  VAL   8          HG13      VAL   8  -2.439   6.081   2.130
   57   HG21  VAL   8          HG21      VAL   8   1.044   7.042   2.921
   58   HG22  VAL   8          HG22      VAL   8  -0.178   5.799   3.170
   59   HG23  VAL   8          HG23      VAL   8  -0.374   7.393   3.909
   60    H    ALA   9           HN       ALA   9  -0.202   8.796  -0.693
   61    HA   ALA   9           HA       ALA   9  -2.558   8.747  -2.148
   62    HB1  ALA   9           HB1      ALA   9   0.021  10.116  -2.876
   63    HB2  ALA   9           HB2      ALA   9  -1.215  10.759  -1.791
   64    HB3  ALA   9           HB3      ALA   9  -1.578  10.525  -3.502
   65    H    GLY  10           HN       GLY  10   0.670   7.584  -3.075
   66    HA2  GLY  10           HA2      GLY  10   0.018   6.957  -5.762
   67    HA3  GLY  10           HA1      GLY  10   1.382   6.311  -4.849
   68    H    LEU  11           HN       LEU  11   0.027   5.114  -2.774
   69    HA   LEU  11           HA       LEU  11  -0.659   2.571  -3.691
   70    HB2  LEU  11           HB2      LEU  11  -1.482   3.992  -1.163
   71    HB3  LEU  11           HB1      LEU  11  -1.731   2.285  -1.450
   72    HG   LEU  11           HG       LEU  11   0.988   3.606  -1.321
   73   HD11  LEU  11          HD11      LEU  11  -0.541   2.054   0.759
   74   HD12  LEU  11          HD12      LEU  11  -0.143   3.767   0.831
   75   HD13  LEU  11          HD13      LEU  11   1.142   2.561   0.903
   76   HD21  LEU  11          HD21      LEU  11   1.799   1.320  -1.086
   77   HD22  LEU  11          HD22      LEU  11   0.914   1.503  -2.604
   78   HD23  LEU  11          HD23      LEU  11   0.156   0.707  -1.223
   79    H    ALA  12           HN       ALA  12  -2.720   5.251  -2.709
   80    HA   ALA  12           HA       ALA  12  -5.172   3.959  -3.006
   81    HB1  ALA  12           HB1      ALA  12  -4.851   5.982  -1.709
   82    HB2  ALA  12           HB2      ALA  12  -6.198   6.073  -2.853
   83    HB3  ALA  12           HB3      ALA  12  -4.675   6.906  -3.215
   84    H    GLU  13           HN       GLU  13  -3.182   5.523  -5.407
   85    HA   GLU  13           HA       GLU  13  -5.123   5.881  -7.411
   86    HB2  GLU  13           HB2      GLU  13  -2.201   5.155  -7.698
   87    HB3  GLU  13           HB1      GLU  13  -3.232   5.705  -9.007
   88    HG2  GLU  13           HG2      GLU  13  -2.548   7.301  -6.554
   89    HG3  GLU  13           HG1      GLU  13  -1.760   7.458  -8.122
   90    H    ILE  14           HN       ILE  14  -3.128   3.117  -6.599
   91    HA   ILE  14           HA       ILE  14  -4.352   1.544  -8.637
   92    HB   ILE  14           HB       ILE  14  -2.602   0.593  -6.324
   93   HG12  ILE  14          HG12      ILE  14  -0.936   0.150  -8.238
   94   HG13  ILE  14          HG11      ILE  14  -1.954   1.177  -9.227
   95   HG21  ILE  14          HG21      ILE  14  -3.549  -0.867  -8.764
   96   HG22  ILE  14          HG22      ILE  14  -4.069  -1.152  -7.104
   97   HG23  ILE  14          HG23      ILE  14  -2.396  -1.497  -7.582
   98   HD11  ILE  14          HD11      ILE  14  -0.479   1.988  -6.733
   99   HD12  ILE  14          HD12      ILE  14  -1.515   3.044  -7.694
  100   HD13  ILE  14          HD13      ILE  14  -0.033   2.379  -8.391
  101    H    VAL  15           HN       VAL  15  -4.764   1.863  -5.130
  102    HA   VAL  15           HA       VAL  15  -6.604  -0.254  -4.887
  103    HB   VAL  15           HB       VAL  15  -6.575   2.200  -3.093
  104   HG11  VAL  15          HG11      VAL  15  -7.439   0.668  -1.377
  105   HG12  VAL  15          HG12      VAL  15  -7.492  -0.632  -2.571
  106   HG13  VAL  15          HG13      VAL  15  -8.524   0.785  -2.763
  107   HG21  VAL  15          HG21      VAL  15  -4.974  -0.345  -2.832
  108   HG22  VAL  15          HG22      VAL  15  -5.038   0.954  -1.645
  109   HG23  VAL  15          HG23      VAL  15  -4.334   1.244  -3.239
  110    H    ASN  16           HN       ASN  16  -7.052   2.998  -5.977
  111    HA   ASN  16           HA       ASN  16  -9.887   3.027  -5.871
  112    HB2  ASN  16           HB2      ASN  16  -8.749   5.144  -6.051
  113    HB3  ASN  16           HB1      ASN  16  -7.937   4.646  -7.528
  114   HD21  ASN  16          HD21      ASN  16 -10.959   5.759  -6.141
  115   HD22  ASN  16          HD22      ASN  16 -11.716   6.119  -7.645
  116    H    GLU  17           HN       GLU  17  -7.606   1.968  -8.360
  117    HA   GLU  17           HA       GLU  17  -9.824   1.471 -10.106
  118    HB2  GLU  17           HB2      GLU  17  -8.142   0.508 -11.685
  119    HB3  GLU  17           HB1      GLU  17  -7.818   2.167 -11.220
  120    HG2  GLU  17           HG2      GLU  17  -6.112   1.371  -9.651
  121    HG3  GLU  17           HG1      GLU  17  -6.445  -0.286 -10.148
  122    H    ILE  18           HN       ILE  18  -8.031  -0.357  -7.788
  123    HA   ILE  18           HA       ILE  18  -8.945  -2.917  -8.769
  124    HB   ILE  18           HB       ILE  18  -7.713  -2.125  -6.121
  125   HG12  ILE  18          HG12      ILE  18  -6.230  -1.745  -7.983
  126   HG13  ILE  18          HG11      ILE  18  -5.660  -3.120  -7.037
  127   HG21  ILE  18          HG21      ILE  18  -7.240  -4.510  -5.803
  128   HG22  ILE  18          HG22      ILE  18  -8.190  -4.884  -7.248
  129   HG23  ILE  18          HG23      ILE  18  -8.965  -4.151  -5.834
  130   HD11  ILE  18          HD11      ILE  18  -5.436  -3.550  -9.413
  131   HD12  ILE  18          HD12      ILE  18  -7.163  -3.239  -9.633
  132   HD13  ILE  18          HD13      ILE  18  -6.632  -4.632  -8.689
  133    H    ALA  19           HN       ALA  19  -9.666  -1.008  -5.834
  134    HA   ALA  19           HA       ALA  19 -12.102  -2.588  -5.558
  135    HB1  ALA  19           HB1      ALA  19 -10.725  -0.844  -3.539
  136    HB2  ALA  19           HB2      ALA  19 -10.544  -2.589  -3.683
  137    HB3  ALA  19           HB3      ALA  19 -12.111  -1.898  -3.238
  138    H    GLY  20           HN       GLY  20 -10.989   0.717  -5.239
  139    HA2  GLY  20           HA2      GLY  20 -12.276   2.442  -6.432
  140    HA3  GLY  20           HA1      GLY  20 -13.720   1.525  -6.021
  141    H    ILE  21           HN       ILE  21 -11.017   3.187  -4.536
  142    HA   ILE  21           HA       ILE  21 -12.859   4.099  -2.473
  143    HB   ILE  21           HB       ILE  21 -10.685   4.582  -1.156
  144   HG12  ILE  21          HG12      ILE  21  -8.881   2.823  -1.584
  145   HG13  ILE  21          HG11      ILE  21  -9.628   2.552  -3.140
  146   HG21  ILE  21          HG21      ILE  21 -10.673   2.363  -0.158
  147   HG22  ILE  21          HG22      ILE  21 -11.657   1.771  -1.500
  148   HG23  ILE  21          HG23      ILE  21 -12.291   3.011  -0.413
  149   HD11  ILE  21          HD11      ILE  21  -9.142   4.870  -3.767
  150   HD12  ILE  21          HD12      ILE  21  -7.682   3.985  -3.330
  151   HD13  ILE  21          HD13      ILE  21  -8.396   5.129  -2.191
  152    HA   PRO  22           HA       PRO  22 -12.186   8.183  -3.960
  153    HB2  PRO  22           HB2      PRO  22 -12.191   9.170  -1.184
  154    HB3  PRO  22           HB1      PRO  22 -13.331   9.514  -2.487
  155    HG2  PRO  22           HG2      PRO  22 -13.990   7.976  -0.373
  156    HG3  PRO  22           HG1      PRO  22 -14.649   7.694  -1.994
  157    HD2  PRO  22           HD2      PRO  22 -12.470   6.250  -0.552
  158    HD3  PRO  22           HD1      PRO  22 -13.744   5.607  -1.610
  159    H    VAL  23           HN       VAL  23 -10.328   9.201  -4.467
  160    HA   VAL  23           HA       VAL  23  -7.952   8.473  -3.015
  161    HB   VAL  23           HB       VAL  23  -6.684   9.665  -4.787
  162   HG11  VAL  23          HG11      VAL  23  -8.822   7.754  -5.677
  163   HG12  VAL  23          HG12      VAL  23  -7.279   7.326  -4.957
  164   HG13  VAL  23          HG13      VAL  23  -7.325   8.071  -6.570
  165   HG21  VAL  23          HG21      VAL  23  -7.897  10.495  -6.768
  166   HG22  VAL  23          HG22      VAL  23  -8.337  11.417  -5.329
  167   HG23  VAL  23          HG23      VAL  23  -9.433  10.184  -5.959
  168    H    GLU  24           HN       GLU  24  -9.807  10.126  -1.777
  169    HA   GLU  24           HA       GLU  24  -8.061  12.288  -0.797
  170    HB2  GLU  24           HB2      GLU  24 -10.127  13.553  -0.347
  171    HB3  GLU  24           HB1      GLU  24  -9.947  13.213  -2.066
  172    HG2  GLU  24           HG2      GLU  24 -11.497  11.322  -1.838
  173    HG3  GLU  24           HG1      GLU  24 -11.709  11.726  -0.138
  174    H    ASP  25           HN       ASP  25  -9.479   9.352  -0.298
  175    HA   ASP  25           HA       ASP  25 -10.463   9.775   2.413
  176    HB2  ASP  25           HB2      ASP  25 -11.661   8.377   0.616
  177    HB3  ASP  25           HB1      ASP  25 -10.344   7.263   0.797
  178    H    VAL  26           HN       VAL  26  -8.217   7.847   0.560
  179    HA   VAL  26           HA       VAL  26  -7.098   6.491   2.776
  180    HB   VAL  26           HB       VAL  26  -5.972   6.799  -0.023
  181   HG11  VAL  26          HG11      VAL  26  -4.355   5.918   1.583
  182   HG12  VAL  26          HG12      VAL  26  -4.852   4.670   0.437
  183   HG13  VAL  26          HG13      VAL  26  -5.510   4.676   2.075
  184   HG21  VAL  26          HG21      VAL  26  -7.114   4.695  -0.533
  185   HG22  VAL  26          HG22      VAL  26  -8.260   5.963  -0.095
  186   HG23  VAL  26          HG23      VAL  26  -7.843   4.705   1.069
  187    H    LYS  27           HN       LYS  27  -6.369   7.906   4.189
  188    HA   LYS  27           HA       LYS  27  -4.095   9.617   3.477
  189    HB2  LYS  27           HB2      LYS  27  -6.018   9.740   5.805
  190    HB3  LYS  27           HB1      LYS  27  -4.649  10.813   5.574
  191    HG2  LYS  27           HG2      LYS  27  -5.670  11.690   3.544
  192    HG3  LYS  27           HG1      LYS  27  -7.036  10.591   3.757
  193    HD2  LYS  27           HD2      LYS  27  -7.546  11.625   5.896
  194    HD3  LYS  27           HD1      LYS  27  -6.168  12.705   5.708
  195    HE2  LYS  27           HE2      LYS  27  -7.205  13.677   3.721
  196    HE3  LYS  27           HE1      LYS  27  -8.571  12.578   3.899
  197    HZ1  LYS  27           HZ1      LYS  27  -9.076  13.559   6.016
  198    HZ2  LYS  27           HZ2      LYS  27  -9.027  14.779   4.835
  199    HZ3  LYS  27           HZ3      LYS  27  -7.735  14.583   5.907
  200    H    LEU  28           HN       LEU  28  -3.109   9.842   6.134
  201    HA   LEU  28           HA       LEU  28  -1.651   7.407   6.258
  202    HB2  LEU  28           HB2      LEU  28  -1.643   9.853   7.999
  203    HB3  LEU  28           HB1      LEU  28  -0.737   8.434   8.451
  204    HG   LEU  28           HG       LEU  28   0.713  10.067   7.438
  205   HD11  LEU  28          HD11      LEU  28   0.303   7.702   5.642
  206   HD12  LEU  28          HD12      LEU  28   1.297   7.775   7.097
  207   HD13  LEU  28          HD13      LEU  28   1.738   8.723   5.680
  208   HD21  LEU  28          HD21      LEU  28   0.515  10.731   5.079
  209   HD22  LEU  28          HD22      LEU  28  -0.879  11.263   6.022
  210   HD23  LEU  28          HD23      LEU  28  -1.011   9.854   4.967
  211    H    ASP  29           HN       ASP  29  -4.404   8.564   8.125
  212    HA   ASP  29           HA       ASP  29  -4.123   6.286   9.915
  213    HB2  ASP  29           HB2      ASP  29  -4.827   8.442  10.907
  214    HB3  ASP  29           HB1      ASP  29  -6.267   8.432   9.898
  215    H    LYS  30           HN       LYS  30  -4.224   5.050   7.959
  216    HA   LYS  30           HA       LYS  30  -6.907   3.916   7.555
  217    HB2  LYS  30           HB2      LYS  30  -4.960   4.686   5.363
  218    HB3  LYS  30           HB1      LYS  30  -6.380   3.676   5.120
  219    HG2  LYS  30           HG2      LYS  30  -6.524   6.403   6.269
  220    HG3  LYS  30           HG1      LYS  30  -6.564   6.134   4.517
  221    HD2  LYS  30           HD2      LYS  30  -8.553   4.863   4.677
  222    HD3  LYS  30           HD1      LYS  30  -8.416   4.747   6.431
  223    HE2  LYS  30           HE2      LYS  30  -8.883   7.077   6.666
  224    HE3  LYS  30           HE1      LYS  30  -8.856   7.300   4.913
  225    HZ1  LYS  30           HZ1      LYS  30 -10.785   6.031   4.672
  226    HZ2  LYS  30           HZ2      LYS  30 -11.132   7.121   5.898
  227    HZ3  LYS  30           HZ3      LYS  30 -10.763   5.483   6.274
  228    H    SER  31           HN       SER  31  -6.746   1.766   6.588
  229    HA   SER  31           HA       SER  31  -4.195   0.462   6.568
  230    HB2  SER  31           HB2      SER  31  -4.949   0.039   8.817
  231    HB3  SER  31           HB1      SER  31  -6.556  -0.448   8.267
  232    HG   SER  31           HG       SER  31  -5.679  -2.427   8.201
  233    H    PHE  32           HN       PHE  32  -4.676  -1.830   5.493
  234    HA   PHE  32           HA       PHE  32  -6.067  -0.939   3.128
  235    HB2  PHE  32           HB2      PHE  32  -4.350  -3.356   3.662
  236    HB3  PHE  32           HB1      PHE  32  -5.015  -2.907   2.097
  237    HD1  PHE  32           HD1      PHE  32  -2.648  -1.890   4.742
  238    HD2  PHE  32           HD2      PHE  32  -3.963  -1.278   0.745
  239    HE1  PHE  32           HE1      PHE  32  -0.662  -0.522   4.309
  240    HE2  PHE  32           HE2      PHE  32  -1.969   0.095   0.302
  241    HZ   PHE  32           HZ       PHE  32  -0.310   0.467   2.101
  242    H    THR  33           HN       THR  33  -6.017  -4.011   4.872
  243    HA   THR  33           HA       THR  33  -8.627  -4.369   3.761
  244    HB   THR  33           HB       THR  33  -8.434  -6.584   4.767
  245    HG1  THR  33           HG1      THR  33  -5.619  -6.129   4.934
  246   HG21  THR  33          HG21      THR  33  -6.331  -5.761   2.752
  247   HG22  THR  33          HG22      THR  33  -7.995  -6.229   2.400
  248   HG23  THR  33          HG23      THR  33  -6.853  -7.426   3.013
  249    H    ASP  34           HN       ASP  34  -8.426  -2.447   5.702
  250    HA   ASP  34           HA       ASP  34 -10.247  -3.501   7.765
  251    HB2  ASP  34           HB2      ASP  34  -7.949  -1.646   8.413
  252    HB3  ASP  34           HB1      ASP  34  -9.168  -2.200   9.538
  253    H    ASP  35           HN       ASP  35  -8.654  -0.602   6.424
  254    HA   ASP  35           HA       ASP  35 -11.091   0.906   7.097
  255    HB2  ASP  35           HB2      ASP  35  -8.578   1.447   7.916
  256    HB3  ASP  35           HB1      ASP  35  -8.584   2.327   6.400
  257    H    LEU  36           HN       LEU  36  -9.873  -0.655   4.511
  258    HA   LEU  36           HA       LEU  36 -10.697   1.497   2.696
  259    HB2  LEU  36           HB2      LEU  36  -8.977  -0.908   2.035
  260    HB3  LEU  36           HB1      LEU  36  -9.453   0.349   0.917
  261    HG   LEU  36           HG       LEU  36  -7.564   0.607   3.243
  262   HD11  LEU  36          HD11      LEU  36  -6.598  -0.464   1.309
  263   HD12  LEU  36          HD12      LEU  36  -5.926   1.152   1.520
  264   HD13  LEU  36          HD13      LEU  36  -7.140   0.859   0.276
  265   HD21  LEU  36          HD21      LEU  36  -8.543   2.730   1.351
  266   HD22  LEU  36          HD22      LEU  36  -7.257   2.920   2.556
  267   HD23  LEU  36          HD23      LEU  36  -8.918   2.590   3.071
  268    H    ASP  37           HN       ASP  37 -11.169  -0.112   0.478
  269    HA   ASP  37           HA       ASP  37 -13.798  -1.060   1.136
  270    HB2  ASP  37           HB2      ASP  37 -13.198   0.121  -1.000
  271    HB3  ASP  37           HB1      ASP  37 -12.308  -1.312  -1.489
  272    H    VAL  38           HN       VAL  38 -10.796  -2.404   1.268
  273    HA   VAL  38           HA       VAL  38  -9.948  -4.387   1.746
  274    HB   VAL  38           HB       VAL  38 -12.819  -5.179   2.229
  275   HG11  VAL  38          HG11      VAL  38 -11.390  -7.182   1.955
  276   HG12  VAL  38          HG12      VAL  38 -11.886  -7.016   3.640
  277   HG13  VAL  38          HG13      VAL  38 -10.258  -6.545   3.148
  278   HG21  VAL  38          HG21      VAL  38 -12.146  -3.345   3.631
  279   HG22  VAL  38          HG22      VAL  38 -10.673  -4.180   4.089
  280   HG23  VAL  38          HG23      VAL  38 -12.241  -4.801   4.630
  281    H    ASP  39           HN       ASP  39  -9.329  -4.280  -0.394
  282    HA   ASP  39           HA       ASP  39 -10.415  -5.561  -2.592
  283    HB2  ASP  39           HB2      ASP  39  -7.483  -5.443  -1.876
  284    HB3  ASP  39           HB1      ASP  39  -8.204  -5.404  -3.478
  285    H    SER  40           HN       SER  40  -8.699  -6.661   0.147
  286    HA   SER  40           HA       SER  40  -7.919  -8.536   0.969
  287    HB2  SER  40           HB2      SER  40 -10.059  -9.273   1.391
  288    HB3  SER  40           HB1      SER  40 -10.444  -9.618  -0.336
  289    H    LEU  41           HN       LEU  41  -8.913 -10.548  -1.625
  290    HA   LEU  41           HA       LEU  41  -6.203 -11.373  -1.878
  291    HB2  LEU  41           HB2      LEU  41  -8.588 -12.168  -3.558
  292    HB3  LEU  41           HB1      LEU  41  -6.987 -12.813  -3.819
  293    HG   LEU  41           HG       LEU  41  -8.151 -14.450  -2.652
  294   HD11  LEU  41          HD11      LEU  41  -5.929 -14.188  -1.829
  295   HD12  LEU  41          HD12      LEU  41  -7.005 -14.675  -0.515
  296   HD13  LEU  41          HD13      LEU  41  -6.470 -13.000  -0.643
  297   HD21  LEU  41          HD21      LEU  41  -9.361 -14.091  -0.556
  298   HD22  LEU  41          HD22      LEU  41 -10.043 -13.157  -1.887
  299   HD23  LEU  41          HD23      LEU  41  -9.038 -12.363  -0.674
  300    H    SER  42           HN       SER  42  -8.289  -9.240  -3.574
  301    HA   SER  42           HA       SER  42  -6.697  -8.970  -5.892
  302    HB2  SER  42           HB2      SER  42  -8.830  -7.164  -4.763
  303    HB3  SER  42           HB1      SER  42  -8.199  -7.118  -6.413
  304    HG   SER  42           HG       SER  42 -10.125  -8.288  -6.271
  305    H    MET  43           HN       MET  43  -6.320  -7.870  -2.708
  306    HA   MET  43           HA       MET  43  -5.087  -5.352  -3.240
  307    HB2  MET  43           HB2      MET  43  -5.928  -6.311  -0.961
  308    HB3  MET  43           HB1      MET  43  -4.324  -7.030  -0.877
  309    HG2  MET  43           HG2      MET  43  -3.454  -4.669  -1.350
  310    HG3  MET  43           HG1      MET  43  -5.084  -4.137  -0.931
  311    HE1  MET  43           HE1      MET  43  -1.690  -5.372   0.231
  312    HE2  MET  43           HE2      MET  43  -2.589  -6.877   0.447
  313    HE3  MET  43           HE3      MET  43  -1.973  -6.004   1.851
  314    H    VAL  44           HN       VAL  44  -4.052  -8.622  -3.525
  315    HA   VAL  44           HA       VAL  44  -1.272  -8.149  -3.433
  316    HB   VAL  44           HB       VAL  44  -2.693 -10.314  -5.028
  317   HG11  VAL  44          HG11      VAL  44  -0.361 -10.057  -5.663
  318   HG12  VAL  44          HG12      VAL  44  -0.610 -11.575  -4.797
  319   HG13  VAL  44          HG13      VAL  44   0.127 -10.201  -3.973
  320   HG21  VAL  44          HG21      VAL  44  -3.381 -10.396  -2.703
  321   HG22  VAL  44          HG22      VAL  44  -1.701 -10.380  -2.180
  322   HG23  VAL  44          HG23      VAL  44  -2.333 -11.762  -3.081
  323    H    GLU  45           HN       GLU  45  -3.715  -7.560  -5.841
  324    HA   GLU  45           HA       GLU  45  -1.910  -7.204  -8.050
  325    HB2  GLU  45           HB2      GLU  45  -4.690  -6.051  -7.747
  326    HB3  GLU  45           HB1      GLU  45  -3.808  -6.310  -9.239
  327    HG2  GLU  45           HG2      GLU  45  -5.006  -8.386  -7.427
  328    HG3  GLU  45           HG1      GLU  45  -5.512  -7.960  -9.060
  329    H    VAL  46           HN       VAL  46  -3.158  -5.351  -5.451
  330    HA   VAL  46           HA       VAL  46  -2.476  -2.753  -6.386
  331    HB   VAL  46           HB       VAL  46  -2.798  -3.754  -3.536
  332   HG11  VAL  46          HG11      VAL  46  -2.861  -0.938  -4.619
  333   HG12  VAL  46          HG12      VAL  46  -1.590  -1.645  -3.623
  334   HG13  VAL  46          HG13      VAL  46  -3.205  -1.407  -2.955
  335   HG21  VAL  46          HG21      VAL  46  -4.813  -4.121  -4.840
  336   HG22  VAL  46          HG22      VAL  46  -4.804  -2.432  -5.357
  337   HG23  VAL  46          HG23      VAL  46  -5.061  -2.838  -3.657
  338    H    VAL  47           HN       VAL  47  -1.044  -4.860  -3.921
  339    HA   VAL  47           HA       VAL  47   1.214  -3.296  -3.507
  340    HB   VAL  47           HB       VAL  47   0.584  -4.994  -1.870
  341   HG11  VAL  47          HG11      VAL  47  -0.116  -6.768  -3.330
  342   HG12  VAL  47          HG12      VAL  47   1.081  -7.358  -2.172
  343   HG13  VAL  47          HG13      VAL  47   1.547  -7.044  -3.846
  344   HG21  VAL  47          HG21      VAL  47   2.816  -5.870  -1.321
  345   HG22  VAL  47          HG22      VAL  47   2.862  -4.171  -1.802
  346   HG23  VAL  47          HG23      VAL  47   3.374  -5.418  -2.934
  347    H    VAL  48           HN       VAL  48   0.894  -5.986  -5.850
  348    HA   VAL  48           HA       VAL  48   3.604  -6.007  -6.539
  349    HB   VAL  48           HB       VAL  48   2.050  -7.840  -7.191
  350   HG11  VAL  48          HG11      VAL  48   0.113  -6.576  -7.868
  351   HG12  VAL  48          HG12      VAL  48   0.623  -7.654  -9.168
  352   HG13  VAL  48          HG13      VAL  48   0.989  -5.932  -9.256
  353   HG21  VAL  48          HG21      VAL  48   4.187  -7.690  -8.327
  354   HG22  VAL  48          HG22      VAL  48   3.490  -6.608  -9.532
  355   HG23  VAL  48          HG23      VAL  48   2.948  -8.283  -9.433
  356    H    ALA  49           HN       ALA  49   0.991  -3.981  -7.638
  357    HA   ALA  49           HA       ALA  49   2.512  -2.738  -9.727
  358    HB1  ALA  49           HB1      ALA  49  -0.060  -1.875  -8.396
  359    HB2  ALA  49           HB2      ALA  49   0.064  -2.859  -9.851
  360    HB3  ALA  49           HB3      ALA  49   0.619  -1.181  -9.868
  361    H    ALA  50           HN       ALA  50   1.827  -2.184  -6.369
  362    HA   ALA  50           HA       ALA  50   2.771   0.477  -6.260
  363    HB1  ALA  50           HB1      ALA  50   1.246  -0.465  -4.574
  364    HB2  ALA  50           HB2      ALA  50   2.694   0.245  -3.851
  365    HB3  ALA  50           HB3      ALA  50   2.551  -1.507  -4.002
  366    H    GLU  51           HN       GLU  51   4.335  -2.602  -5.902
  367    HA   GLU  51           HA       GLU  51   6.758  -1.840  -4.802
  368    HB2  GLU  51           HB2      GLU  51   6.303  -3.877  -6.985
  369    HB3  GLU  51           HB1      GLU  51   7.731  -3.770  -5.965
  370    HG2  GLU  51           HG2      GLU  51   6.328  -4.212  -4.000
  371    HG3  GLU  51           HG1      GLU  51   4.933  -4.376  -5.063
  372    H    GLU  52           HN       GLU  52   5.929  -1.965  -8.246
  373    HA   GLU  52           HA       GLU  52   8.395  -0.817  -9.040
  374    HB2  GLU  52           HB2      GLU  52   7.415  -0.636 -11.264
  375    HB3  GLU  52           HB1      GLU  52   7.109  -2.218 -10.567
  376    HG2  GLU  52           HG2      GLU  52   4.819  -1.526 -10.008
  377    HG3  GLU  52           HG1      GLU  52   5.155   0.054 -10.650
  378    H    ARG  53           HN       ARG  53   5.288   0.530  -8.170
  379    HA   ARG  53           HA       ARG  53   5.582   3.093  -9.339
  380    HB2  ARG  53           HB2      ARG  53   4.007   2.329  -6.872
  381    HB3  ARG  53           HB1      ARG  53   3.920   3.879  -7.666
  382    HG2  ARG  53           HG2      ARG  53   3.001   1.221  -8.753
  383    HG3  ARG  53           HG1      ARG  53   1.992   2.544  -8.188
  384    HD2  ARG  53           HD2      ARG  53   1.881   2.781 -10.479
  385    HD3  ARG  53           HD1      ARG  53   3.175   3.900 -10.064
  386    HE   ARG  53           HE       ARG  53   3.928   1.201 -10.812
  387   HH11  ARG  53          HH11      ARG  53   3.758   4.629 -11.741
  388   HH12  ARG  53          HH12      ARG  53   4.592   4.423 -13.205
  389   HH21  ARG  53          HH21      ARG  53   5.105   0.923 -12.900
  390   HH22  ARG  53          HH22      ARG  53   5.410   2.288 -13.848
  391    H    PHE  54           HN       PHE  54   6.426   1.838  -6.144
  392    HA   PHE  54           HA       PHE  54   7.466   4.475  -5.482
  393    HB2  PHE  54           HB2      PHE  54   6.941   2.141  -3.659
  394    HB3  PHE  54           HB1      PHE  54   7.450   3.756  -3.158
  395    HD1  PHE  54           HD2      PHE  54   5.942   5.678  -4.248
  396    HD2  PHE  54           HD1      PHE  54   4.726   1.679  -3.485
  397    HE1  PHE  54           HE2      PHE  54   3.592   6.387  -4.267
  398    HE2  PHE  54           HE1      PHE  54   2.385   2.385  -3.514
  399    HZ   PHE  54           HZ       PHE  54   1.821   4.729  -3.901
  400    H    ASP  55           HN       ASP  55   8.701   1.964  -6.947
  401    HA   ASP  55           HA       ASP  55  10.813   1.212  -7.365
  402    HB2  ASP  55           HB2      ASP  55  11.559   3.614  -5.692
  403    HB3  ASP  55           HB1      ASP  55  12.763   2.550  -6.405
  404    H    VAL  56           HN       VAL  56   9.367  -0.006  -5.344
  405    HA   VAL  56           HA       VAL  56  11.530  -0.862  -3.566
  406    HB   VAL  56           HB       VAL  56   9.794  -1.520  -1.873
  407   HG11  VAL  56          HG11      VAL  56   9.850   1.403  -2.564
  408   HG12  VAL  56          HG12      VAL  56  11.046   0.531  -1.591
  409   HG13  VAL  56          HG13      VAL  56   9.389   0.709  -1.006
  410   HG21  VAL  56          HG21      VAL  56   7.921   0.085  -3.634
  411   HG22  VAL  56          HG22      VAL  56   7.547  -0.491  -2.015
  412   HG23  VAL  56          HG23      VAL  56   7.837  -1.646  -3.313
  413    H    LYS  57           HN       LYS  57  10.708  -3.089  -2.553
  414    HA   LYS  57           HA       LYS  57   9.322  -4.714  -4.493
  415    HB2  LYS  57           HB2      LYS  57  11.833  -4.796  -5.050
  416    HB3  LYS  57           HB1      LYS  57  12.054  -5.562  -3.479
  417    HG2  LYS  57           HG2      LYS  57  11.958  -7.266  -5.148
  418    HG3  LYS  57           HG1      LYS  57  10.474  -7.339  -4.190
  419    HD2  LYS  57           HD2      LYS  57   9.393  -5.912  -5.963
  420    HD3  LYS  57           HD1      LYS  57  10.834  -6.169  -6.945
  421    HE2  LYS  57           HE2      LYS  57   9.144  -7.746  -7.610
  422    HE3  LYS  57           HE1      LYS  57  10.437  -8.616  -6.785
  423    HZ1  LYS  57           HZ1      LYS  57   9.109  -8.800  -4.840
  424    HZ2  LYS  57           HZ2      LYS  57   8.063  -9.224  -6.117
  425    HZ3  LYS  57           HZ3      LYS  57   7.992  -7.695  -5.416
  426    H    ILE  58           HN       ILE  58   7.839  -5.525  -3.205
  427    HA   ILE  58           HA       ILE  58   8.491  -5.791  -0.355
  428    HB   ILE  58           HB       ILE  58   5.771  -5.376  -1.638
  429   HG12  ILE  58          HG12      ILE  58   7.489  -3.440  -0.065
  430   HG13  ILE  58          HG11      ILE  58   7.255  -3.400  -1.809
  431   HG21  ILE  58          HG21      ILE  58   6.596  -5.388   1.272
  432   HG22  ILE  58          HG22      ILE  58   5.642  -6.630   0.448
  433   HG23  ILE  58          HG23      ILE  58   4.985  -5.007   0.651
  434   HD11  ILE  58          HD11      ILE  58   5.888  -1.733  -0.704
  435   HD12  ILE  58          HD12      ILE  58   5.130  -2.984   0.281
  436   HD13  ILE  58          HD13      ILE  58   4.871  -2.958  -1.464
  437    HA   PRO  59           HA       PRO  59   8.096 -10.181  -1.333
  438    HB2  PRO  59           HB2      PRO  59   8.631 -10.353   1.581
  439    HB3  PRO  59           HB1      PRO  59   9.469 -11.139   0.238
  440    HG2  PRO  59           HG2      PRO  59  10.611  -9.133   1.542
  441    HG3  PRO  59           HG1      PRO  59  10.756  -9.263  -0.225
  442    HD2  PRO  59           HD2      PRO  59   8.936  -7.523   1.404
  443    HD3  PRO  59           HD1      PRO  59   9.910  -7.103  -0.025
  444    H    ASP  60           HN       ASP  60   6.569 -11.682  -0.889
  445    HA   ASP  60           HA       ASP  60   3.948 -10.883  -0.320
  446    HB2  ASP  60           HB2      ASP  60   4.707 -12.866  -1.654
  447    HB3  ASP  60           HB1      ASP  60   5.108 -13.673  -0.150
  448    H    ASP  61           HN       ASP  61   6.437 -12.224   1.648
  449    HA   ASP  61           HA       ASP  61   5.085 -12.964   3.985
  450    HB2  ASP  61           HB2      ASP  61   7.876 -11.811   3.761
  451    HB3  ASP  61           HB1      ASP  61   7.251 -12.810   5.064
  452    H    ASP  62           HN       ASP  62   6.875  -9.993   3.221
  453    HA   ASP  62           HA       ASP  62   6.249  -8.640   5.604
  454    HB2  ASP  62           HB2      ASP  62   7.288  -7.630   2.975
  455    HB3  ASP  62           HB1      ASP  62   6.920  -6.539   4.305
  456    H    VAL  63           HN       VAL  63   4.604  -8.783   2.556
  457    HA   VAL  63           HA       VAL  63   2.915  -6.581   2.782
  458    HB   VAL  63           HB       VAL  63   2.073  -9.284   1.674
  459   HG11  VAL  63          HG11      VAL  63   0.243  -7.708   1.940
  460   HG12  VAL  63          HG12      VAL  63   0.600  -7.964   0.232
  461   HG13  VAL  63          HG13      VAL  63   1.141  -6.490   1.034
  462   HG21  VAL  63          HG21      VAL  63   2.854  -8.480  -0.502
  463   HG22  VAL  63          HG22      VAL  63   4.179  -8.601   0.657
  464   HG23  VAL  63          HG23      VAL  63   3.489  -7.026   0.264
  465    H    LYS  64           HN       LYS  64   2.371  -9.889   4.003
  466    HA   LYS  64           HA       LYS  64  -0.072  -9.044   5.306
  467    HB2  LYS  64           HB2      LYS  64   1.351 -11.705   5.358
  468    HB3  LYS  64           HB1      LYS  64  -0.180 -11.382   6.155
  469    HG2  LYS  64           HG2      LYS  64  -1.223 -10.922   4.013
  470    HG3  LYS  64           HG1      LYS  64   0.320 -11.165   3.197
  471    HD2  LYS  64           HD2      LYS  64  -1.178 -13.252   4.787
  472    HD3  LYS  64           HD1      LYS  64  -1.122 -13.147   3.029
  473    HE2  LYS  64           HE2      LYS  64   1.250 -13.580   4.847
  474    HE3  LYS  64           HE1      LYS  64   0.437 -14.827   3.908
  475    HZ1  LYS  64           HZ1      LYS  64   2.493 -13.966   2.932
  476    HZ2  LYS  64           HZ2      LYS  64   1.792 -12.464   2.649
  477    HZ3  LYS  64           HZ3      LYS  64   1.221 -13.830   1.877
  478    H    ASN  65           HN       ASN  65   3.137  -8.803   6.095
  479    HA   ASN  65           HA       ASN  65   2.659  -9.154   8.951
  480    HB2  ASN  65           HB2      ASN  65   5.228  -8.591   7.467
  481    HB3  ASN  65           HB1      ASN  65   5.095  -8.617   9.217
  482   HD21  ASN  65          HD21      ASN  65   6.782 -10.231   7.686
  483   HD22  ASN  65          HD22      ASN  65   6.324 -11.881   7.908
  484    H    LEU  66           HN       LEU  66   2.387  -6.780   6.699
  485    HA   LEU  66           HA       LEU  66   2.965  -4.640   8.609
  486    HB2  LEU  66           HB2      LEU  66   2.198  -4.526   5.687
  487    HB3  LEU  66           HB1      LEU  66   2.526  -3.134   6.695
  488    HG   LEU  66           HG       LEU  66   4.536  -5.260   5.958
  489   HD11  LEU  66          HD11      LEU  66   5.547  -3.503   4.596
  490   HD12  LEU  66          HD12      LEU  66   4.195  -2.441   5.002
  491   HD13  LEU  66          HD13      LEU  66   3.912  -3.905   4.061
  492   HD21  LEU  66          HD21      LEU  66   4.884  -2.653   7.443
  493   HD22  LEU  66          HD22      LEU  66   6.184  -3.743   6.954
  494   HD23  LEU  66          HD23      LEU  66   4.990  -4.268   8.143
  495    H    LYS  67           HN       LYS  67   1.274  -2.943   8.722
  496    HA   LYS  67           HA       LYS  67  -1.319  -4.265   8.669
  497    HB2  LYS  67           HB2      LYS  67  -1.805  -2.884  10.859
  498    HB3  LYS  67           HB1      LYS  67  -1.019  -4.454  10.899
  499    HG2  LYS  67           HG2      LYS  67   1.172  -3.311  11.025
  500    HG3  LYS  67           HG1      LYS  67   0.328  -1.771  11.050
  501    HD2  LYS  67           HD2      LYS  67  -0.694  -2.208  13.130
  502    HD3  LYS  67           HD1      LYS  67  -0.260  -3.913  13.070
  503    HE2  LYS  67           HE2      LYS  67   1.118  -2.649  14.675
  504    HE3  LYS  67           HE1      LYS  67   2.075  -3.371  13.392
  505    HZ1  LYS  67           HZ1      LYS  67   2.640  -1.053  14.071
  506    HZ2  LYS  67           HZ2      LYS  67   1.234  -0.510  13.257
  507    HZ3  LYS  67           HZ3      LYS  67   2.477  -1.307  12.429
  508    H    THR  68           HN       THR  68  -0.587  -0.911   9.642
  509    HA   THR  68           HA       THR  68  -2.875  -0.172   8.040
  510    HB   THR  68           HB       THR  68  -2.632   2.036   9.108
  511    HG1  THR  68           HG1      THR  68  -0.788   1.440  10.948
  512   HG21  THR  68          HG21      THR  68  -3.880   0.282  10.339
  513   HG22  THR  68          HG22      THR  68  -3.023   1.354  11.442
  514   HG23  THR  68          HG23      THR  68  -2.370  -0.241  11.084
  515    H    VAL  69           HN       VAL  69  -2.430   2.208   7.040
  516    HA   VAL  69           HA       VAL  69  -0.354   1.750   5.099
  517    HB   VAL  69           HB       VAL  69  -1.108   3.778   3.966
  518   HG11  VAL  69          HG11      VAL  69  -2.379   1.758   3.531
  519   HG12  VAL  69          HG12      VAL  69  -3.443   3.167   3.497
  520   HG13  VAL  69          HG13      VAL  69  -3.418   2.106   4.912
  521   HG21  VAL  69          HG21      VAL  69  -2.950   5.120   4.832
  522   HG22  VAL  69          HG22      VAL  69  -1.551   5.157   5.907
  523   HG23  VAL  69          HG23      VAL  69  -2.948   4.158   6.306
  524    H    GLY  70           HN       GLY  70  -0.752   3.393   8.049
  525    HA2  GLY  70           HA2      GLY  70   1.473   5.187   7.716
  526    HA3  GLY  70           HA1      GLY  70   0.624   4.829   9.223
  527    H    ASP  71           HN       ASP  71   0.863   1.991   8.744
  528    HA   ASP  71           HA       ASP  71   3.468   1.531   9.873
  529    HB2  ASP  71           HB2      ASP  71   1.553   0.292  10.710
  530    HB3  ASP  71           HB1      ASP  71   1.236  -0.342   9.104
  531    H    ALA  72           HN       ALA  72   1.768   0.762   6.873
  532    HA   ALA  72           HA       ALA  72   3.743  -0.901   5.777
  533    HB1  ALA  72           HB1      ALA  72   1.628   0.692   4.327
  534    HB2  ALA  72           HB2      ALA  72   1.418  -0.926   4.995
  535    HB3  ALA  72           HB3      ALA  72   2.543  -0.659   3.663
  536    H    THR  73           HN       THR  73   3.160   2.552   5.586
  537    HA   THR  73           HA       THR  73   4.878   3.138   3.542
  538    HB   THR  73           HB       THR  73   5.094   5.402   4.823
  539    HG1  THR  73           HG1      THR  73   2.723   4.583   6.006
  540   HG21  THR  73          HG21      THR  73   2.439   4.407   3.801
  541   HG22  THR  73          HG22      THR  73   3.751   5.037   2.812
  542   HG23  THR  73          HG23      THR  73   2.920   6.099   3.953
  543    H    LYS  74           HN       LYS  74   5.548   2.527   6.913
  544    HA   LYS  74           HA       LYS  74   8.093   3.564   7.208
  545    HB2  LYS  74           HB2      LYS  74   6.921   2.692   9.114
  546    HB3  LYS  74           HB1      LYS  74   6.829   1.091   8.394
  547    HG2  LYS  74           HG2      LYS  74   8.478   1.174  10.187
  548    HG3  LYS  74           HG1      LYS  74   9.238   0.829   8.634
  549    HD2  LYS  74           HD2      LYS  74   9.782   3.261   8.461
  550    HD3  LYS  74           HD1      LYS  74   9.186   3.449  10.111
  551    HE2  LYS  74           HE2      LYS  74  10.856   1.874  10.906
  552    HE3  LYS  74           HE1      LYS  74  11.427   1.630   9.255
  553    HZ1  LYS  74           HZ1      LYS  74  11.559   4.139  10.831
  554    HZ2  LYS  74           HZ2      LYS  74  11.881   4.056   9.205
  555    HZ3  LYS  74           HZ3      LYS  74  12.870   3.206  10.274
  556    H    TYR  75           HN       TYR  75   7.147   0.411   5.944
  557    HA   TYR  75           HA       TYR  75   9.841  -0.443   5.547
  558    HB2  TYR  75           HB2      TYR  75   8.063  -2.078   5.890
  559    HB3  TYR  75           HB1      TYR  75   7.242  -1.526   4.435
  560    HD1  TYR  75           HD1      TYR  75  10.262  -3.242   5.698
  561    HD2  TYR  75           HD2      TYR  75   7.867  -2.360   2.303
  562    HE1  TYR  75           HE1      TYR  75  11.543  -4.872   4.384
  563    HE2  TYR  75           HE2      TYR  75   9.131  -3.974   0.976
  564    HH   TYR  75           HH       TYR  75  11.251  -6.248   2.350
  565    H    ILE  76           HN       ILE  76   7.342   0.904   3.532
  566    HA   ILE  76           HA       ILE  76   8.608   0.584   1.023
  567    HB   ILE  76           HB       ILE  76   6.511   2.616   1.829
  568   HG12  ILE  76          HG12      ILE  76   6.163  -0.117   0.582
  569   HG13  ILE  76          HG11      ILE  76   5.916   0.233   2.290
  570   HG21  ILE  76          HG21      ILE  76   5.944   2.628  -0.569
  571   HG22  ILE  76          HG22      ILE  76   7.290   1.533  -0.890
  572   HG23  ILE  76          HG23      ILE  76   7.603   3.164  -0.299
  573   HD11  ILE  76          HD11      ILE  76   3.810   0.170   1.100
  574   HD12  ILE  76          HD12      ILE  76   4.396   1.431  -0.002
  575   HD13  ILE  76          HD13      ILE  76   4.161   1.794   1.707
  576    H    LEU  77           HN       LEU  77   8.096   3.634   2.874
  577    HA   LEU  77           HA       LEU  77   9.621   5.164   1.114
  578    HB2  LEU  77           HB2      LEU  77   9.407   7.013   2.709
  579    HB3  LEU  77           HB1      LEU  77   7.885   6.227   2.393
  580    HG   LEU  77           HG       LEU  77   8.280   5.008   4.634
  581   HD11  LEU  77          HD11      LEU  77  10.604   5.578   4.975
  582   HD12  LEU  77          HD12      LEU  77   9.605   6.204   6.283
  583   HD13  LEU  77          HD13      LEU  77  10.193   7.293   5.028
  584   HD21  LEU  77          HD21      LEU  77   6.559   6.667   4.296
  585   HD22  LEU  77          HD22      LEU  77   7.724   7.962   4.577
  586   HD23  LEU  77          HD23      LEU  77   7.297   6.859   5.885
  587    H    ASP  78           HN       ASP  78  10.591   3.210   3.639
  588    HA   ASP  78           HA       ASP  78  13.124   4.574   4.035
  589    HB2  ASP  78           HB2      ASP  78  12.119   3.456   5.942
  590    HB3  ASP  78           HB1      ASP  78  12.159   1.919   5.086
  591    H    HIS  79           HN       HIS  79  11.907   1.849   2.220
  592    HA   HIS  79           HA       HIS  79  14.600   0.870   1.727
  593    HB2  HIS  79           HB2      HIS  79  12.472  -0.580   2.071
  594    HB3  HIS  79           HB1      HIS  79  12.141  -0.205   0.384
  595    HD1  HIS  79           HD1      HIS  79  13.759  -1.272  -1.416
  596    HD2  HIS  79           HD2      HIS  79  14.546  -2.353   2.520
  597    HE1  HIS  79           HE1      HIS  79  15.280  -3.233  -1.551
  598    HE2  HIS  79           HE2      HIS  79  16.000  -3.626   0.822
  599    H    GLN  80           HN       GLN  80  12.204   2.778   0.173
  600    HA   GLN  80           HA       GLN  80  13.134   2.541  -2.515
  601    HB2  GLN  80           HB2      GLN  80  11.820   4.666  -2.857
  602    HB3  GLN  80           HB1      GLN  80  10.915   3.277  -2.261
  603    HG2  GLN  80           HG2      GLN  80  10.557   4.191  -0.235
  604    HG3  GLN  80           HG1      GLN  80  12.064   5.086  -0.251
  605   HE21  GLN  80          HE21      GLN  80  10.962   6.807   0.555
  606   HE22  GLN  80          HE22      GLN  80   9.933   7.816  -0.407
  607    H    ALA  81           HN       ALA  81  13.645   4.638  -3.678
  608    HA   ALA  81           HA       ALA  81  15.578   6.244  -2.238
  609    HB1  ALA  81           HB1      ALA  81  16.743   4.771  -3.819
  610    HB2  ALA  81           HB2      ALA  81  16.784   6.436  -4.400
  611    HB3  ALA  81           HB3      ALA  81  15.658   5.282  -5.114
  612    H28  SXO 101          H28B      SXO 101  -7.372 -11.004   3.398
  613   H28A  SXO 101          H28A      SXO 101  -6.908 -11.625   1.800
  614    H30  SXO 101          H30A      SXO 101  -8.065 -13.302   4.770
  615   H30A  SXO 101          H30C      SXO 101  -6.454 -13.791   5.377
  616   H30B  SXO 101          H30B      SXO 101  -6.872 -12.069   5.238
  617    H31  SXO 101          H31A      SXO 101  -6.105 -15.057   3.125
  618   H31A  SXO 101          H31B      SXO 101  -6.365 -14.073   1.657
  619   H31B  SXO 101          H31C      SXO 101  -7.729 -14.468   2.685
  620    H32  SXO 101          H32A      SXO 101  -4.836 -11.703   4.141
  621   HO33  SXO 101          H33A      SXO 101  -3.944 -14.229   3.510
  622   HN36  SXO 101          H36A      SXO 101  -5.383 -10.905   1.831
  623    H37  SXO 101          H37A      SXO 101  -3.159 -11.703   0.105
  624   H37A  SXO 101          H37B      SXO 101  -4.752 -11.302  -0.560
  625    H38  SXO 101          H38B      SXO 101  -4.565  -9.059   0.268
  626   H38A  SXO 101          H38A      SXO 101  -3.146  -9.418  -0.696
  627   HN41  SXO 101          H41A      SXO 101  -4.424  -8.712   2.455
  628    H42  SXO 101          H42A      SXO 101  -1.852  -8.783   3.858
  629   H42A  SXO 101          H42B      SXO 101  -2.661  -7.242   3.577
  630    H43  SXO 101          H43B      SXO 101  -4.662  -7.992   4.649
  631   H43A  SXO 101          H43A      SXO 101  -3.784  -9.401   5.262
  632    H2   SXO 101           H2A      SXO 101  -1.265  -5.361   6.204
  633    H2A  SXO 101           H2B      SXO 101  -2.233  -3.954   5.729
  634    H3   SXO 101           H3B      SXO 101  -0.757  -5.852   3.903
  635    H3A  SXO 101           H3A      SXO 101  -1.764  -4.505   3.366
  636    H4   SXO 101           H4A      SXO 101   0.686  -4.255   5.113
  637    H4A  SXO 101           H4B      SXO 101  -0.293  -2.929   4.484
  638    H5   SXO 101           H5B      SXO 101   1.753  -3.208   3.165
  639    H5A  SXO 101           H5A      SXO 101   1.311  -4.881   2.824
  640    H6   SXO 101           H6A      SXO 101  -0.304  -2.459   2.015
  641    H6A  SXO 101           H6B      SXO 101  -0.660  -4.138   1.611
  642    H7   SXO 101           H7A      SXO 101   0.365  -3.053  -0.300
  643    H7A  SXO 101           H7B      SXO 101   1.484  -4.255   0.361
  644    H8   SXO 101           H8C      SXO 101   1.557  -1.283   0.896
  645    H8A  SXO 101           H8A      SXO 101   2.627  -2.166  -0.194
  646    H8B  SXO 101           H8B      SXO 101   2.679  -2.478   1.543
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1  10.440   7.358  -6.465
    2    H2   ALA   1           HT2      ALA   1   9.167   6.453  -5.914
    3    H3   ALA   1           HT3      ALA   1  10.693   5.733  -6.064
    4    HA   ALA   1           HA       ALA   1  10.222   6.276  -3.745
    5    HB1  ALA   1           HB1      ALA   1  12.069   8.328  -4.975
    6    HB2  ALA   1           HB2      ALA   1  12.521   6.706  -4.451
    7    HB3  ALA   1           HB3      ALA   1  11.999   7.906  -3.265
    8    H    ALA   2           HN       ALA   2   9.179   7.668  -2.289
    9    HA   ALA   2           HA       ALA   2   8.265  10.275  -3.053
   10    HB1  ALA   2           HB1      ALA   2   6.288   8.012  -2.654
   11    HB2  ALA   2           HB2      ALA   2   6.557   8.895  -4.157
   12    HB3  ALA   2           HB3      ALA   2   5.876   9.723  -2.757
   13    H    THR   3           HN       THR   3   7.208  11.244  -1.132
   14    HA   THR   3           HA       THR   3   8.267   9.943   1.210
   15    HB   THR   3           HB       THR   3   7.005  12.712   1.080
   16    HG1  THR   3           HG1      THR   3   9.641  11.780   0.497
   17   HG21  THR   3          HG21      THR   3   9.042  11.484   2.970
   18   HG22  THR   3          HG22      THR   3   7.374  11.938   3.376
   19   HG23  THR   3          HG23      THR   3   8.553  13.175   2.972
   20    H    GLN   4           HN       GLN   4   6.757  10.246   3.305
   21    HA   GLN   4           HA       GLN   4   5.080   8.152   3.133
   22    HB2  GLN   4           HB2      GLN   4   5.998   8.938   5.202
   23    HB3  GLN   4           HB1      GLN   4   4.987  10.374   5.147
   24    HG2  GLN   4           HG2      GLN   4   3.016   9.074   5.471
   25    HG3  GLN   4           HG1      GLN   4   3.923   7.571   5.308
   26   HE21  GLN   4          HE21      GLN   4   3.254  10.298   7.331
   27   HE22  GLN   4          HE22      GLN   4   3.900   9.613   8.781
   28    H    GLU   5           HN       GLU   5   3.837  11.519   3.038
   29    HA   GLU   5           HA       GLU   5   1.114  10.770   2.874
   30    HB2  GLU   5           HB2      GLU   5   1.990  13.077   3.398
   31    HB3  GLU   5           HB1      GLU   5   2.416  13.244   1.707
   32    HG2  GLU   5           HG2      GLU   5   0.384  14.408   2.039
   33    HG3  GLU   5           HG1      GLU   5  -0.001  12.936   1.151
   34    H    GLU   6           HN       GLU   6   3.479  11.621   0.368
   35    HA   GLU   6           HA       GLU   6   1.798  11.146  -1.826
   36    HB2  GLU   6           HB2      GLU   6   4.819  11.039  -1.764
   37    HB3  GLU   6           HB1      GLU   6   3.846  11.066  -3.217
   38    HG2  GLU   6           HG2      GLU   6   4.548  13.250  -3.023
   39    HG3  GLU   6           HG1      GLU   6   2.947  13.301  -2.297
   40    H    ILE   7           HN       ILE   7   3.817   9.002   0.031
   41    HA   ILE   7           HA       ILE   7   3.791   6.828  -1.652
   42    HB   ILE   7           HB       ILE   7   3.749   6.866   1.385
   43   HG12  ILE   7          HG12      ILE   7   5.775   7.779   0.281
   44   HG13  ILE   7          HG11      ILE   7   6.123   6.334   1.217
   45   HG21  ILE   7          HG21      ILE   7   4.186   4.468  -0.400
   46   HG22  ILE   7          HG22      ILE   7   2.812   4.737   0.672
   47   HG23  ILE   7          HG23      ILE   7   4.421   4.496   1.351
   48   HD11  ILE   7          HD11      ILE   7   5.810   6.447  -1.787
   49   HD12  ILE   7          HD12      ILE   7   6.192   5.012  -0.850
   50   HD13  ILE   7          HD13      ILE   7   7.334   6.343  -0.916
   51    H    VAL   8           HN       VAL   8   1.504   7.696   0.973
   52    HA   VAL   8           HA       VAL   8  -0.398   5.657   0.550
   53    HB   VAL   8           HB       VAL   8  -0.859   8.454   1.655
   54   HG11  VAL   8          HG11      VAL   8  -2.522   5.950   1.905
   55   HG12  VAL   8          HG12      VAL   8  -2.940   7.385   0.967
   56   HG13  VAL   8          HG13      VAL   8  -2.832   7.479   2.727
   57   HG21  VAL   8          HG21      VAL   8  -0.701   7.391   3.835
   58   HG22  VAL   8          HG22      VAL   8   0.799   7.204   2.925
   59   HG23  VAL   8          HG23      VAL   8  -0.332   5.853   3.063
   60    H    ALA   9           HN       ALA   9  -0.250   8.974  -0.664
   61    HA   ALA   9           HA       ALA   9  -2.570   9.052  -2.184
   62    HB1  ALA   9           HB1      ALA   9  -1.165  10.988  -1.722
   63    HB2  ALA   9           HB2      ALA   9  -1.465  10.820  -3.458
   64    HB3  ALA   9           HB3      ALA   9   0.086  10.316  -2.768
   65    H    GLY  10           HN       GLY  10   0.644   7.866  -3.043
   66    HA2  GLY  10           HA2      GLY  10   0.098   7.281  -5.752
   67    HA3  GLY  10           HA1      GLY  10   1.410   6.596  -4.792
   68    H    LEU  11           HN       LEU  11   0.081   5.352  -2.809
   69    HA   LEU  11           HA       LEU  11  -0.624   2.847  -3.785
   70    HB2  LEU  11           HB2      LEU  11  -1.425   4.213  -1.220
   71    HB3  LEU  11           HB1      LEU  11  -1.739   2.527  -1.547
   72    HG   LEU  11           HG       LEU  11   1.016   3.747  -1.419
   73   HD11  LEU  11          HD11      LEU  11   1.167   2.672   0.789
   74   HD12  LEU  11          HD12      LEU  11  -0.515   2.163   0.656
   75   HD13  LEU  11          HD13      LEU  11  -0.121   3.879   0.757
   76   HD21  LEU  11          HD21      LEU  11   0.819   1.682  -2.761
   77   HD22  LEU  11          HD22      LEU  11   0.090   0.870  -1.375
   78   HD23  LEU  11          HD23      LEU  11   1.758   1.428  -1.291
   79    H    ALA  12           HN       ALA  12  -2.670   5.501  -2.739
   80    HA   ALA  12           HA       ALA  12  -5.155   4.307  -3.031
   81    HB1  ALA  12           HB1      ALA  12  -4.501   7.208  -3.332
   82    HB2  ALA  12           HB2      ALA  12  -4.751   6.334  -1.806
   83    HB3  ALA  12           HB3      ALA  12  -6.067   6.466  -2.976
   84    H    GLU  13           HN       GLU  13  -3.112   5.725  -5.513
   85    HA   GLU  13           HA       GLU  13  -5.263   5.991  -7.352
   86    HB2  GLU  13           HB2      GLU  13  -2.318   5.732  -7.961
   87    HB3  GLU  13           HB1      GLU  13  -3.560   6.156  -9.129
   88    HG2  GLU  13           HG2      GLU  13  -4.095   8.126  -7.635
   89    HG3  GLU  13           HG1      GLU  13  -2.601   7.748  -6.779
   90    H    ILE  14           HN       ILE  14  -2.921   3.414  -6.773
   91    HA   ILE  14           HA       ILE  14  -4.169   1.838  -8.818
   92    HB   ILE  14           HB       ILE  14  -2.383   0.687  -6.634
   93   HG12  ILE  14          HG12      ILE  14  -0.615   0.701  -8.556
   94   HG13  ILE  14          HG11      ILE  14  -1.595   1.994  -9.232
   95   HG21  ILE  14          HG21      ILE  14  -3.671  -0.930  -7.841
   96   HG22  ILE  14          HG22      ILE  14  -1.963  -1.089  -8.281
   97   HG23  ILE  14          HG23      ILE  14  -3.096  -0.293  -9.384
   98   HD11  ILE  14          HD11      ILE  14   0.271   2.877  -7.979
   99   HD12  ILE  14          HD12      ILE  14  -0.247   1.989  -6.546
  100   HD13  ILE  14          HD13      ILE  14  -1.249   3.294  -7.185
  101    H    VAL  15           HN       VAL  15  -4.463   2.221  -5.350
  102    HA   VAL  15           HA       VAL  15  -6.201   0.048  -5.016
  103    HB   VAL  15           HB       VAL  15  -5.916   2.532  -3.279
  104   HG11  VAL  15          HG11      VAL  15  -7.353  -0.052  -2.683
  105   HG12  VAL  15          HG12      VAL  15  -8.127   1.504  -2.978
  106   HG13  VAL  15          HG13      VAL  15  -7.110   1.279  -1.553
  107   HG21  VAL  15          HG21      VAL  15  -4.782   1.033  -1.744
  108   HG22  VAL  15          HG22      VAL  15  -3.942   1.083  -3.304
  109   HG23  VAL  15          HG23      VAL  15  -4.974  -0.294  -2.879
  110    H    ASN  16           HN       ASN  16  -6.768   3.289  -6.120
  111    HA   ASN  16           HA       ASN  16  -9.610   3.134  -6.138
  112    HB2  ASN  16           HB2      ASN  16  -8.510   5.308  -6.272
  113    HB3  ASN  16           HB1      ASN  16  -7.707   4.845  -7.765
  114   HD21  ASN  16          HD21      ASN  16 -10.692   5.849  -6.312
  115   HD22  ASN  16          HD22      ASN  16 -11.526   6.184  -7.773
  116    H    GLU  17           HN       GLU  17  -7.103   2.174  -8.334
  117    HA   GLU  17           HA       GLU  17  -8.765   1.524 -10.552
  118    HB2  GLU  17           HB2      GLU  17  -6.361   1.917 -10.798
  119    HB3  GLU  17           HB1      GLU  17  -6.004   0.582  -9.723
  120    HG2  GLU  17           HG2      GLU  17  -5.555  -0.052 -11.989
  121    HG3  GLU  17           HG1      GLU  17  -6.928  -0.973 -11.385
  122    H    ILE  18           HN       ILE  18  -7.254  -0.392  -7.995
  123    HA   ILE  18           HA       ILE  18  -8.367  -2.903  -8.738
  124    HB   ILE  18           HB       ILE  18  -7.205  -1.989  -6.096
  125   HG12  ILE  18          HG12      ILE  18  -5.640  -1.745  -7.903
  126   HG13  ILE  18          HG11      ILE  18  -5.141  -3.085  -6.876
  127   HG21  ILE  18          HG21      ILE  18  -8.536  -3.984  -5.773
  128   HG22  ILE  18          HG22      ILE  18  -6.818  -4.359  -5.614
  129   HG23  ILE  18          HG23      ILE  18  -7.686  -4.796  -7.089
  130   HD11  ILE  18          HD11      ILE  18  -6.076  -4.653  -8.498
  131   HD12  ILE  18          HD12      ILE  18  -4.834  -3.627  -9.226
  132   HD13  ILE  18          HD13      ILE  18  -6.549  -3.302  -9.523
  133    H    ALA  19           HN       ALA  19  -9.166  -0.684  -6.062
  134    HA   ALA  19           HA       ALA  19 -11.553  -2.303  -5.554
  135    HB1  ALA  19           HB1      ALA  19 -10.195  -0.295  -3.766
  136    HB2  ALA  19           HB2      ALA  19  -9.979  -2.040  -3.708
  137    HB3  ALA  19           HB3      ALA  19 -11.557  -1.337  -3.326
  138    H    GLY  20           HN       GLY  20 -10.518   1.059  -5.733
  139    HA2  GLY  20           HA2      GLY  20 -11.809   2.636  -7.065
  140    HA3  GLY  20           HA1      GLY  20 -13.241   1.688  -6.692
  141    H    ILE  21           HN       ILE  21 -10.766   2.890  -4.483
  142    HA   ILE  21           HA       ILE  21 -12.868   4.166  -2.944
  143    HB   ILE  21           HB       ILE  21 -10.932   4.627  -1.316
  144   HG12  ILE  21          HG12      ILE  21  -9.097   2.892  -1.427
  145   HG13  ILE  21          HG11      ILE  21  -9.607   2.551  -3.066
  146   HG21  ILE  21          HG21      ILE  21 -11.868   1.814  -1.792
  147   HG22  ILE  21          HG22      ILE  21 -12.643   3.082  -0.822
  148   HG23  ILE  21          HG23      ILE  21 -11.095   2.420  -0.318
  149   HD11  ILE  21          HD11      ILE  21  -8.512   5.175  -2.060
  150   HD12  ILE  21          HD12      ILE  21  -9.017   4.835  -3.717
  151   HD13  ILE  21          HD13      ILE  21  -7.645   3.974  -3.021
  152    HA   PRO  22           HA       PRO  22 -11.714   8.297  -4.087
  153    HB2  PRO  22           HB2      PRO  22 -11.987   9.127  -1.270
  154    HB3  PRO  22           HB1      PRO  22 -12.938   9.634  -2.670
  155    HG2  PRO  22           HG2      PRO  22 -13.969   8.056  -0.758
  156    HG3  PRO  22           HG1      PRO  22 -14.421   7.881  -2.465
  157    HD2  PRO  22           HD2      PRO  22 -12.509   6.255  -0.836
  158    HD3  PRO  22           HD1      PRO  22 -13.710   5.719  -2.031
  159    H    VAL  23           HN       VAL  23  -9.676   8.897  -4.420
  160    HA   VAL  23           HA       VAL  23  -7.445   7.944  -3.154
  161    HB   VAL  23           HB       VAL  23  -7.500   8.914  -5.398
  162   HG11  VAL  23          HG11      VAL  23  -8.967  10.767  -5.041
  163   HG12  VAL  23          HG12      VAL  23  -7.449  11.350  -5.740
  164   HG13  VAL  23          HG13      VAL  23  -7.778  11.560  -4.015
  165   HG21  VAL  23          HG21      VAL  23  -5.543  10.292  -3.582
  166   HG22  VAL  23          HG22      VAL  23  -5.382  10.135  -5.339
  167   HG23  VAL  23          HG23      VAL  23  -5.362   8.692  -4.310
  168    H    GLU  24           HN       GLU  24  -9.366  10.707  -2.277
  169    HA   GLU  24           HA       GLU  24  -7.364  11.741  -0.459
  170    HB2  GLU  24           HB2      GLU  24  -9.057  13.502  -0.023
  171    HB3  GLU  24           HB1      GLU  24  -8.589  13.357  -1.713
  172    HG2  GLU  24           HG2      GLU  24 -10.630  12.057  -2.139
  173    HG3  GLU  24           HG1      GLU  24 -11.106  12.288  -0.460
  174    H    ASP  25           HN       ASP  25  -9.608   9.302  -0.265
  175    HA   ASP  25           HA       ASP  25 -10.490   9.911   2.432
  176    HB2  ASP  25           HB2      ASP  25 -12.014   8.747   0.832
  177    HB3  ASP  25           HB1      ASP  25 -10.937   7.361   0.858
  178    H    VAL  26           HN       VAL  26  -8.485   7.583   0.788
  179    HA   VAL  26           HA       VAL  26  -7.543   6.514   3.271
  180    HB   VAL  26           HB       VAL  26  -7.738   4.870   1.604
  181   HG11  VAL  26          HG11      VAL  26  -6.720   4.959  -0.569
  182   HG12  VAL  26          HG12      VAL  26  -6.163   6.617  -0.259
  183   HG13  VAL  26          HG13      VAL  26  -7.896   6.242  -0.319
  184   HG21  VAL  26          HG21      VAL  26  -5.461   4.022   1.235
  185   HG22  VAL  26          HG22      VAL  26  -5.695   4.593   2.886
  186   HG23  VAL  26          HG23      VAL  26  -4.809   5.586   1.727
  187    H    LYS  27           HN       LYS  27  -6.481   7.789   4.412
  188    HA   LYS  27           HA       LYS  27  -4.048   8.969   3.328
  189    HB2  LYS  27           HB2      LYS  27  -5.925   9.925   5.496
  190    HB3  LYS  27           HB1      LYS  27  -4.301  10.571   5.292
  191    HG2  LYS  27           HG2      LYS  27  -4.858  11.310   3.043
  192    HG3  LYS  27           HG1      LYS  27  -6.480  10.640   3.220
  193    HD2  LYS  27           HD2      LYS  27  -6.996  12.197   4.955
  194    HD3  LYS  27           HD1      LYS  27  -5.323  12.759   5.013
  195    HE2  LYS  27           HE2      LYS  27  -7.132  13.016   2.616
  196    HE3  LYS  27           HE1      LYS  27  -6.854  14.295   3.798
  197    HZ1  LYS  27           HZ1      LYS  27  -4.761  13.084   2.018
  198    HZ2  LYS  27           HZ2      LYS  27  -4.480  14.189   3.236
  199    HZ3  LYS  27           HZ3      LYS  27  -5.420  14.649   1.928
  200    H    LEU  28           HN       LEU  28  -2.852   9.459   5.854
  201    HA   LEU  28           HA       LEU  28  -1.703   6.976   6.317
  202    HB2  LEU  28           HB2      LEU  28  -1.508   9.571   7.698
  203    HB3  LEU  28           HB1      LEU  28  -1.005   8.169   8.615
  204    HG   LEU  28           HG       LEU  28   0.914   9.158   7.586
  205   HD11  LEU  28          HD11      LEU  28   0.152   6.610   6.192
  206   HD12  LEU  28          HD12      LEU  28   0.914   6.760   7.777
  207   HD13  LEU  28          HD13      LEU  28   1.786   7.259   6.329
  208   HD21  LEU  28          HD21      LEU  28  -0.486   8.774   4.938
  209   HD22  LEU  28          HD22      LEU  28   1.180   9.318   5.154
  210   HD23  LEU  28          HD23      LEU  28  -0.155  10.321   5.717
  211    H    ASP  29           HN       ASP  29  -4.569   8.152   7.817
  212    HA   ASP  29           HA       ASP  29  -4.394   6.010   9.800
  213    HB2  ASP  29           HB2      ASP  29  -6.543   8.117   9.450
  214    HB3  ASP  29           HB1      ASP  29  -6.524   6.904  10.722
  215    H    LYS  30           HN       LYS  30  -4.355   4.686   7.784
  216    HA   LYS  30           HA       LYS  30  -7.003   3.519   7.397
  217    HB2  LYS  30           HB2      LYS  30  -5.107   4.380   5.235
  218    HB3  LYS  30           HB1      LYS  30  -6.335   3.146   4.976
  219    HG2  LYS  30           HG2      LYS  30  -6.956   5.734   6.135
  220    HG3  LYS  30           HG1      LYS  30  -6.832   5.596   4.363
  221    HD2  LYS  30           HD2      LYS  30  -8.537   3.825   4.379
  222    HD3  LYS  30           HD1      LYS  30  -8.634   3.915   6.133
  223    HE2  LYS  30           HE2      LYS  30  -9.297   6.200   4.297
  224    HE3  LYS  30           HE1      LYS  30 -10.498   5.045   4.879
  225    HZ1  LYS  30           HZ1      LYS  30  -9.812   5.666   7.142
  226    HZ2  LYS  30           HZ2      LYS  30 -10.586   6.895   6.285
  227    HZ3  LYS  30           HZ3      LYS  30  -8.910   6.968   6.516
  228    H    SER  31           HN       SER  31  -6.940   1.423   6.665
  229    HA   SER  31           HA       SER  31  -4.453   0.016   6.428
  230    HB2  SER  31           HB2      SER  31  -5.027  -0.466   8.674
  231    HB3  SER  31           HB1      SER  31  -6.750  -0.751   8.301
  232    HG   SER  31           HG       SER  31  -4.510  -2.385   8.102
  233    H    PHE  32           HN       PHE  32  -4.902  -1.976   5.138
  234    HA   PHE  32           HA       PHE  32  -6.301  -0.935   2.909
  235    HB2  PHE  32           HB2      PHE  32  -4.803  -3.500   3.296
  236    HB3  PHE  32           HB1      PHE  32  -5.468  -2.953   1.757
  237    HD1  PHE  32           HD1      PHE  32  -2.912  -2.362   4.305
  238    HD2  PHE  32           HD2      PHE  32  -4.479  -1.080   0.546
  239    HE1  PHE  32           HE1      PHE  32  -0.880  -1.039   3.906
  240    HE2  PHE  32           HE2      PHE  32  -2.445   0.236   0.155
  241    HZ   PHE  32           HZ       PHE  32  -0.675   0.295   1.798
  242    H    THR  33           HN       THR  33  -6.906  -3.773   4.928
  243    HA   THR  33           HA       THR  33  -9.505  -3.705   3.617
  244    HB   THR  33           HB       THR  33  -8.115  -5.625   3.019
  245    HG1  THR  33           HG1      THR  33 -10.259  -5.846   2.874
  246   HG21  THR  33          HG21      THR  33  -7.794  -7.473   4.644
  247   HG22  THR  33          HG22      THR  33  -8.433  -6.427   5.915
  248   HG23  THR  33          HG23      THR  33  -6.929  -6.006   5.098
  249    H    ASP  34           HN       ASP  34  -8.393  -2.495   6.051
  250    HA   ASP  34           HA       ASP  34 -10.434  -3.540   7.884
  251    HB2  ASP  34           HB2      ASP  34  -8.240  -4.088   8.755
  252    HB3  ASP  34           HB1      ASP  34  -7.755  -2.400   8.668
  253    H    ASP  35           HN       ASP  35  -8.695  -0.619   6.920
  254    HA   ASP  35           HA       ASP  35 -10.902   0.957   8.107
  255    HB2  ASP  35           HB2      ASP  35  -8.289   1.408   8.481
  256    HB3  ASP  35           HB1      ASP  35  -8.436   2.213   6.933
  257    H    LEU  36           HN       LEU  36  -9.418  -0.090   5.162
  258    HA   LEU  36           HA       LEU  36 -10.944   1.769   3.515
  259    HB2  LEU  36           HB2      LEU  36  -8.681  -0.121   2.968
  260    HB3  LEU  36           HB1      LEU  36  -9.672   0.497   1.669
  261    HG   LEU  36           HG       LEU  36  -8.108   2.263   3.547
  262   HD11  LEU  36          HD11      LEU  36  -7.428   1.256   0.775
  263   HD12  LEU  36          HD12      LEU  36  -6.617   0.774   2.266
  264   HD13  LEU  36          HD13      LEU  36  -6.503   2.440   1.700
  265   HD21  LEU  36          HD21      LEU  36  -9.973   3.362   2.478
  266   HD22  LEU  36          HD22      LEU  36  -9.522   2.668   0.929
  267   HD23  LEU  36          HD23      LEU  36  -8.483   3.883   1.666
  268    H    ASP  37           HN       ASP  37 -11.576   0.498   1.376
  269    HA   ASP  37           HA       ASP  37 -13.366  -1.662   2.281
  270    HB2  ASP  37           HB2      ASP  37 -13.701   0.424   0.122
  271    HB3  ASP  37           HB1      ASP  37 -14.707  -1.016   0.185
  272    H    VAL  38           HN       VAL  38 -10.604  -1.809   1.356
  273    HA   VAL  38           HA       VAL  38 -10.745  -3.098  -1.243
  274    HB   VAL  38           HB       VAL  38  -8.403  -2.854   0.651
  275   HG11  VAL  38          HG11      VAL  38  -7.037  -3.107  -1.369
  276   HG12  VAL  38          HG12      VAL  38  -8.505  -3.305  -2.328
  277   HG13  VAL  38          HG13      VAL  38  -8.088  -4.497  -1.097
  278   HG21  VAL  38          HG21      VAL  38  -9.225  -0.950  -1.524
  279   HG22  VAL  38          HG22      VAL  38  -7.717  -0.878  -0.611
  280   HG23  VAL  38          HG23      VAL  38  -9.262  -0.638   0.210
  281    H    ASP  39           HN       ASP  39 -10.999  -5.231  -1.358
  282    HA   ASP  39           HA       ASP  39 -11.225  -6.848   0.985
  283    HB2  ASP  39           HB2      ASP  39 -10.935  -7.708  -1.911
  284    HB3  ASP  39           HB1      ASP  39 -11.374  -8.766  -0.579
  285    H    SER  40           HN       SER  40  -9.756  -8.377   1.752
  286    HA   SER  40           HA       SER  40  -7.064  -7.575   1.490
  287    HB2  SER  40           HB2      SER  40  -6.622  -9.517   2.982
  288    HB3  SER  40           HB1      SER  40  -7.893  -8.395   3.522
  289    H    LEU  41           HN       LEU  41  -8.872 -10.291   0.208
  290    HA   LEU  41           HA       LEU  41  -6.596 -11.475  -0.941
  291    HB2  LEU  41           HB2      LEU  41  -9.541 -11.837  -1.445
  292    HB3  LEU  41           HB1      LEU  41  -8.365 -12.650  -2.451
  293    HG   LEU  41           HG       LEU  41  -7.499 -13.851  -0.468
  294   HD11  LEU  41          HD11      LEU  41  -9.765 -12.554   1.032
  295   HD12  LEU  41          HD12      LEU  41  -8.046 -12.253   1.284
  296   HD13  LEU  41          HD13      LEU  41  -8.724 -13.846   1.631
  297   HD21  LEU  41          HD21      LEU  41 -10.462 -14.101  -0.882
  298   HD22  LEU  41          HD22      LEU  41  -9.410 -15.315  -0.147
  299   HD23  LEU  41          HD23      LEU  41  -9.196 -14.869  -1.839
  300    H    SER  42           HN       SER  42  -8.409  -8.784  -1.688
  301    HA   SER  42           HA       SER  42  -7.972  -8.660  -4.534
  302    HB2  SER  42           HB2      SER  42 -10.062  -7.864  -3.568
  303    HB3  SER  42           HB1      SER  42  -9.174  -6.738  -2.549
  304    HG   SER  42           HG       SER  42  -9.447  -6.683  -5.394
  305    H    MET  43           HN       MET  43  -6.662  -7.117  -1.567
  306    HA   MET  43           HA       MET  43  -5.206  -5.020  -2.721
  307    HB2  MET  43           HB2      MET  43  -5.576  -5.336  -0.254
  308    HB3  MET  43           HB1      MET  43  -4.299  -6.550  -0.281
  309    HG2  MET  43           HG2      MET  43  -2.873  -4.682  -1.365
  310    HG3  MET  43           HG1      MET  43  -4.096  -3.596  -0.726
  311    HE1  MET  43           HE1      MET  43  -1.101  -5.937  -0.007
  312    HE2  MET  43           HE2      MET  43  -2.398  -6.891   0.721
  313    HE3  MET  43           HE3      MET  43  -1.174  -6.144   1.744
  314    H    VAL  44           HN       VAL  44  -4.546  -8.301  -2.675
  315    HA   VAL  44           HA       VAL  44  -1.807  -8.529  -2.930
  316    HB   VAL  44           HB       VAL  44  -3.948 -10.139  -4.349
  317   HG11  VAL  44          HG11      VAL  44  -1.741 -10.539  -5.321
  318   HG12  VAL  44          HG12      VAL  44  -2.303 -11.945  -4.417
  319   HG13  VAL  44          HG13      VAL  44  -1.090 -10.874  -3.715
  320   HG21  VAL  44          HG21      VAL  44  -4.280 -10.045  -1.930
  321   HG22  VAL  44          HG22      VAL  44  -2.623 -10.523  -1.655
  322   HG23  VAL  44          HG23      VAL  44  -3.746 -11.653  -2.406
  323    H    GLU  45           HN       GLU  45  -4.152  -7.572  -5.401
  324    HA   GLU  45           HA       GLU  45  -2.269  -7.580  -7.532
  325    HB2  GLU  45           HB2      GLU  45  -4.960  -6.241  -7.295
  326    HB3  GLU  45           HB1      GLU  45  -4.008  -6.318  -8.771
  327    HG2  GLU  45           HG2      GLU  45  -5.139  -8.653  -7.253
  328    HG3  GLU  45           HG1      GLU  45  -5.741  -8.000  -8.777
  329    H    VAL  46           HN       VAL  46  -3.487  -5.041  -5.356
  330    HA   VAL  46           HA       VAL  46  -2.047  -3.051  -6.781
  331    HB   VAL  46           HB       VAL  46  -4.058  -2.288  -5.716
  332   HG11  VAL  46          HG11      VAL  46  -4.383  -2.209  -3.309
  333   HG12  VAL  46          HG12      VAL  46  -2.870  -3.093  -3.085
  334   HG13  VAL  46          HG13      VAL  46  -4.226  -3.857  -3.918
  335   HG21  VAL  46          HG21      VAL  46  -1.689  -1.132  -4.255
  336   HG22  VAL  46          HG22      VAL  46  -3.280  -0.379  -4.380
  337   HG23  VAL  46          HG23      VAL  46  -2.304  -0.621  -5.827
  338    H    VAL  47           HN       VAL  47  -1.304  -5.068  -4.050
  339    HA   VAL  47           HA       VAL  47   0.876  -3.461  -3.229
  340    HB   VAL  47           HB       VAL  47  -0.131  -5.109  -1.674
  341   HG11  VAL  47          HG11      VAL  47   1.249  -7.207  -3.325
  342   HG12  VAL  47          HG12      VAL  47  -0.491  -6.976  -3.148
  343   HG13  VAL  47          HG13      VAL  47   0.480  -7.469  -1.760
  344   HG21  VAL  47          HG21      VAL  47   2.058  -4.221  -1.159
  345   HG22  VAL  47          HG22      VAL  47   2.825  -5.488  -2.118
  346   HG23  VAL  47          HG23      VAL  47   1.959  -5.905  -0.640
  347    H    VAL  48           HN       VAL  48   0.654  -5.991  -5.646
  348    HA   VAL  48           HA       VAL  48   3.500  -6.071  -5.971
  349    HB   VAL  48           HB       VAL  48   2.083  -8.052  -6.537
  350   HG11  VAL  48          HG11      VAL  48   1.145  -6.446  -8.890
  351   HG12  VAL  48          HG12      VAL  48   0.176  -6.988  -7.521
  352   HG13  VAL  48          HG13      VAL  48   0.857  -8.169  -8.641
  353   HG21  VAL  48          HG21      VAL  48   4.312  -7.939  -7.470
  354   HG22  VAL  48          HG22      VAL  48   3.717  -7.008  -8.845
  355   HG23  VAL  48          HG23      VAL  48   3.214  -8.683  -8.634
  356    H    ALA  49           HN       ALA  49   0.934  -4.169  -7.199
  357    HA   ALA  49           HA       ALA  49   2.456  -3.076  -9.393
  358    HB1  ALA  49           HB1      ALA  49   0.533  -1.601  -9.718
  359    HB2  ALA  49           HB2      ALA  49  -0.156  -2.155  -8.192
  360    HB3  ALA  49           HB3      ALA  49   0.014  -3.278  -9.541
  361    H    ALA  50           HN       ALA  50   2.099  -2.478  -6.066
  362    HA   ALA  50           HA       ALA  50   2.780   0.298  -6.085
  363    HB1  ALA  50           HB1      ALA  50   1.459  -0.728  -4.287
  364    HB2  ALA  50           HB2      ALA  50   2.902   0.088  -3.676
  365    HB3  ALA  50           HB3      ALA  50   2.868  -1.675  -3.812
  366    H    GLU  51           HN       GLU  51   4.545  -2.639  -6.103
  367    HA   GLU  51           HA       GLU  51   6.965  -1.794  -4.988
  368    HB2  GLU  51           HB2      GLU  51   6.597  -3.780  -7.232
  369    HB3  GLU  51           HB1      GLU  51   7.975  -3.672  -6.144
  370    HG2  GLU  51           HG2      GLU  51   6.487  -4.227  -4.262
  371    HG3  GLU  51           HG1      GLU  51   5.159  -4.419  -5.407
  372    H    GLU  52           HN       GLU  52   6.110  -2.053  -8.426
  373    HA   GLU  52           HA       GLU  52   8.376  -0.741  -9.458
  374    HB2  GLU  52           HB2      GLU  52   7.114  -0.567 -11.531
  375    HB3  GLU  52           HB1      GLU  52   6.871  -2.151 -10.806
  376    HG2  GLU  52           HG2      GLU  52   4.639  -1.445  -9.991
  377    HG3  GLU  52           HG1      GLU  52   4.988   0.156 -10.535
  378    H    ARG  53           HN       ARG  53   5.344   0.399  -8.298
  379    HA   ARG  53           HA       ARG  53   5.277   2.957  -9.439
  380    HB2  ARG  53           HB2      ARG  53   3.297   1.868  -8.650
  381    HB3  ARG  53           HB1      ARG  53   3.940   1.766  -7.023
  382    HG2  ARG  53           HG2      ARG  53   2.281   3.398  -7.177
  383    HG3  ARG  53           HG1      ARG  53   3.823   4.206  -6.843
  384    HD2  ARG  53           HD2      ARG  53   3.919   4.578  -9.387
  385    HD3  ARG  53           HD1      ARG  53   2.208   4.136  -9.389
  386    HE   ARG  53           HE       ARG  53   3.382   6.407  -7.941
  387   HH11  ARG  53          HH11      ARG  53   0.523   4.987  -9.594
  388   HH12  ARG  53          HH12      ARG  53  -0.373   6.433  -9.307
  389   HH21  ARG  53          HH21      ARG  53   2.057   8.234  -7.636
  390   HH22  ARG  53          HH22      ARG  53   0.436   8.195  -8.249
  391    H    PHE  54           HN       PHE  54   6.405   1.785  -6.307
  392    HA   PHE  54           HA       PHE  54   7.261   4.498  -5.733
  393    HB2  PHE  54           HB2      PHE  54   6.889   2.176  -3.867
  394    HB3  PHE  54           HB1      PHE  54   7.447   3.779  -3.384
  395    HD1  PHE  54           HD2      PHE  54   5.935   5.753  -4.187
  396    HD2  PHE  54           HD1      PHE  54   4.656   1.731  -3.764
  397    HE1  PHE  54           HE2      PHE  54   3.610   6.512  -4.067
  398    HE2  PHE  54           HE1      PHE  54   2.335   2.478  -3.656
  399    HZ   PHE  54           HZ       PHE  54   1.808   4.868  -3.803
  400    H    ASP  55           HN       ASP  55   8.582   2.065  -7.224
  401    HA   ASP  55           HA       ASP  55  10.713   1.417  -7.752
  402    HB2  ASP  55           HB2      ASP  55  11.405   3.817  -6.074
  403    HB3  ASP  55           HB1      ASP  55  12.627   2.896  -6.967
  404    H    VAL  56           HN       VAL  56   9.401   0.232  -5.621
  405    HA   VAL  56           HA       VAL  56  11.627  -0.433  -3.841
  406    HB   VAL  56           HB       VAL  56   9.814   0.999  -2.804
  407   HG11  VAL  56          HG11      VAL  56   8.062  -1.399  -3.142
  408   HG12  VAL  56          HG12      VAL  56   7.866   0.189  -3.875
  409   HG13  VAL  56          HG13      VAL  56   7.690  -0.004  -2.132
  410   HG21  VAL  56          HG21      VAL  56   9.610  -0.283  -0.685
  411   HG22  VAL  56          HG22      VAL  56  11.251  -0.271  -1.327
  412   HG23  VAL  56          HG23      VAL  56  10.243  -1.705  -1.517
  413    H    LYS  57           HN       LYS  57  10.534  -2.638  -2.596
  414    HA   LYS  57           HA       LYS  57   9.267  -4.393  -4.484
  415    HB2  LYS  57           HB2      LYS  57  11.815  -4.563  -4.842
  416    HB3  LYS  57           HB1      LYS  57  11.919  -5.118  -3.178
  417    HG2  LYS  57           HG2      LYS  57  11.978  -7.007  -4.645
  418    HG3  LYS  57           HG1      LYS  57  10.449  -7.013  -3.762
  419    HD2  LYS  57           HD2      LYS  57   9.386  -5.921  -5.739
  420    HD3  LYS  57           HD1      LYS  57  10.908  -6.124  -6.609
  421    HE2  LYS  57           HE2      LYS  57   9.375  -7.909  -7.191
  422    HE3  LYS  57           HE1      LYS  57  10.735  -8.563  -6.277
  423    HZ1  LYS  57           HZ1      LYS  57   8.553  -9.444  -5.550
  424    HZ2  LYS  57           HZ2      LYS  57   8.110  -7.864  -5.099
  425    HZ3  LYS  57           HZ3      LYS  57   9.370  -8.635  -4.309
  426    H    ILE  58           HN       ILE  58   7.893  -5.706  -3.212
  427    HA   ILE  58           HA       ILE  58   8.278  -5.422  -0.313
  428    HB   ILE  58           HB       ILE  58   5.598  -5.251  -1.739
  429   HG12  ILE  58          HG12      ILE  58   7.169  -2.983  -0.484
  430   HG13  ILE  58          HG11      ILE  58   7.126  -3.300  -2.212
  431   HG21  ILE  58          HG21      ILE  58   5.496  -6.097   0.561
  432   HG22  ILE  58          HG22      ILE  58   4.789  -4.484   0.463
  433   HG23  ILE  58          HG23      ILE  58   6.410  -4.698   1.126
  434   HD11  ILE  58          HD11      ILE  58   4.775  -2.581  -0.482
  435   HD12  ILE  58          HD12      ILE  58   4.717  -2.902  -2.215
  436   HD13  ILE  58          HD13      ILE  58   5.612  -1.511  -1.606
  437    HA   PRO  59           HA       PRO  59   7.958  -9.902  -1.096
  438    HB2  PRO  59           HB2      PRO  59   8.748 -10.028   1.737
  439    HB3  PRO  59           HB1      PRO  59   9.543 -10.728   0.325
  440    HG2  PRO  59           HG2      PRO  59  10.591  -8.644   1.640
  441    HG3  PRO  59           HG1      PRO  59  10.738  -8.812  -0.120
  442    HD2  PRO  59           HD2      PRO  59   8.883  -7.087   1.469
  443    HD3  PRO  59           HD1      PRO  59   9.781  -6.711  -0.016
  444    H    ASP  60           HN       ASP  60   6.421 -11.377  -0.539
  445    HA   ASP  60           HA       ASP  60   3.959 -10.466   0.419
  446    HB2  ASP  60           HB2      ASP  60   3.974 -12.334  -1.060
  447    HB3  ASP  60           HB1      ASP  60   4.978 -13.275   0.043
  448    H    ASP  61           HN       ASP  61   6.466 -12.254   2.092
  449    HA   ASP  61           HA       ASP  61   4.960 -12.757   4.431
  450    HB2  ASP  61           HB2      ASP  61   7.043 -13.969   4.013
  451    HB3  ASP  61           HB1      ASP  61   7.962 -12.478   4.190
  452    H    ASP  62           HN       ASP  62   6.901 -10.003   3.464
  453    HA   ASP  62           HA       ASP  62   6.584  -8.680   5.980
  454    HB2  ASP  62           HB2      ASP  62   7.632  -7.741   3.319
  455    HB3  ASP  62           HB1      ASP  62   7.345  -6.605   4.634
  456    H    VAL  63           HN       VAL  63   4.871  -8.763   2.987
  457    HA   VAL  63           HA       VAL  63   3.034  -6.673   3.390
  458    HB   VAL  63           HB       VAL  63   2.561  -9.398   2.107
  459   HG11  VAL  63          HG11      VAL  63   0.674  -8.346   0.945
  460   HG12  VAL  63          HG12      VAL  63   0.942  -6.865   1.865
  461   HG13  VAL  63          HG13      VAL  63   0.448  -8.341   2.696
  462   HG21  VAL  63          HG21      VAL  63   4.333  -8.141   1.017
  463   HG22  VAL  63          HG22      VAL  63   3.274  -6.740   0.870
  464   HG23  VAL  63          HG23      VAL  63   2.907  -8.219  -0.016
  465    H    LYS  64           HN       LYS  64   2.689 -10.127   4.159
  466    HA   LYS  64           HA       LYS  64   0.357  -9.919   5.736
  467    HB2  LYS  64           HB2      LYS  64   2.553 -11.994   5.737
  468    HB3  LYS  64           HB1      LYS  64   1.082 -12.146   6.676
  469    HG2  LYS  64           HG2      LYS  64  -0.242 -12.175   4.624
  470    HG3  LYS  64           HG1      LYS  64   1.229 -11.970   3.665
  471    HD2  LYS  64           HD2      LYS  64   2.088 -14.088   4.414
  472    HD3  LYS  64           HD1      LYS  64   0.771 -14.265   5.568
  473    HE2  LYS  64           HE2      LYS  64   0.436 -15.683   3.612
  474    HE3  LYS  64           HE1      LYS  64  -0.823 -14.461   3.734
  475    HZ1  LYS  64           HZ1      LYS  64   0.280 -13.206   1.970
  476    HZ2  LYS  64           HZ2      LYS  64   0.061 -14.778   1.432
  477    HZ3  LYS  64           HZ3      LYS  64   1.554 -14.269   1.952
  478    H    ASN  65           HN       ASN  65   3.617  -9.207   6.452
  479    HA   ASN  65           HA       ASN  65   3.401  -9.399   9.305
  480    HB2  ASN  65           HB2      ASN  65   5.540  -9.877   8.356
  481    HB3  ASN  65           HB1      ASN  65   5.568  -8.357   7.479
  482   HD21  ASN  65          HD21      ASN  65   5.847  -9.855  10.631
  483   HD22  ASN  65          HD22      ASN  65   6.669  -8.543  11.389
  484    H    LEU  66           HN       LEU  66   2.729  -6.924   6.962
  485    HA   LEU  66           HA       LEU  66   2.973  -4.804   8.928
  486    HB2  LEU  66           HB2      LEU  66   1.973  -4.740   6.073
  487    HB3  LEU  66           HB1      LEU  66   2.196  -3.332   7.088
  488    HG   LEU  66           HG       LEU  66   4.378  -5.166   6.091
  489   HD11  LEU  66          HD11      LEU  66   3.665  -2.346   5.353
  490   HD12  LEU  66          HD12      LEU  66   3.470  -3.782   4.344
  491   HD13  LEU  66          HD13      LEU  66   5.085  -3.226   4.791
  492   HD21  LEU  66          HD21      LEU  66   5.924  -3.535   7.045
  493   HD22  LEU  66          HD22      LEU  66   4.916  -4.268   8.293
  494   HD23  LEU  66          HD23      LEU  66   4.566  -2.637   7.719
  495    H    LYS  67           HN       LYS  67   0.829  -3.196   8.613
  496    HA   LYS  67           HA       LYS  67  -1.539  -4.823   8.765
  497    HB2  LYS  67           HB2      LYS  67  -2.234  -4.026  11.019
  498    HB3  LYS  67           HB1      LYS  67  -0.796  -5.033  11.058
  499    HG2  LYS  67           HG2      LYS  67   0.578  -2.993  11.235
  500    HG3  LYS  67           HG1      LYS  67  -0.898  -2.036  11.278
  501    HD2  LYS  67           HD2      LYS  67  -1.576  -3.276  13.321
  502    HD3  LYS  67           HD1      LYS  67  -0.014  -4.095  13.295
  503    HE2  LYS  67           HE2      LYS  67  -0.444  -1.110  13.525
  504    HE3  LYS  67           HE1      LYS  67  -0.018  -2.191  14.846
  505    HZ1  LYS  67           HZ1      LYS  67   1.903  -0.995  14.000
  506    HZ2  LYS  67           HZ2      LYS  67   1.716  -1.621  12.463
  507    HZ3  LYS  67           HZ3      LYS  67   2.095  -2.647  13.761
  508    H    THR  68           HN       THR  68  -0.458  -1.402   9.280
  509    HA   THR  68           HA       THR  68  -2.961  -0.728   7.897
  510    HB   THR  68           HB       THR  68  -2.813   1.494   8.912
  511    HG1  THR  68           HG1      THR  68  -0.436   0.484  10.143
  512   HG21  THR  68          HG21      THR  68  -3.949  -0.248  10.236
  513   HG22  THR  68          HG22      THR  68  -3.128   0.908  11.284
  514   HG23  THR  68          HG23      THR  68  -2.412  -0.674  10.992
  515    H    VAL  69           HN       VAL  69  -2.478   1.774   6.994
  516    HA   VAL  69           HA       VAL  69  -0.484   1.317   4.973
  517    HB   VAL  69           HB       VAL  69  -1.160   3.425   3.946
  518   HG11  VAL  69          HG11      VAL  69  -2.532   1.508   3.424
  519   HG12  VAL  69          HG12      VAL  69  -3.517   2.972   3.469
  520   HG13  VAL  69          HG13      VAL  69  -3.561   1.839   4.818
  521   HG21  VAL  69          HG21      VAL  69  -2.921   4.836   4.902
  522   HG22  VAL  69          HG22      VAL  69  -1.500   4.762   5.946
  523   HG23  VAL  69          HG23      VAL  69  -2.938   3.822   6.342
  524    H    GLY  70           HN       GLY  70  -0.592   2.641   8.063
  525    HA2  GLY  70           HA2      GLY  70   1.539   4.522   7.791
  526    HA3  GLY  70           HA1      GLY  70   0.914   3.842   9.296
  527    H    ASP  71           HN       ASP  71   1.160   1.158   8.351
  528    HA   ASP  71           HA       ASP  71   3.923   0.656   9.023
  529    HB2  ASP  71           HB2      ASP  71   1.743  -1.235   8.129
  530    HB3  ASP  71           HB1      ASP  71   3.307  -1.727   8.758
  531    H    ALA  72           HN       ALA  72   1.868   0.559   6.242
  532    HA   ALA  72           HA       ALA  72   3.581  -0.758   4.445
  533    HB1  ALA  72           HB1      ALA  72   1.395   1.241   3.872
  534    HB2  ALA  72           HB2      ALA  72   1.177  -0.499   4.058
  535    HB3  ALA  72           HB3      ALA  72   2.119   0.132   2.707
  536    H    THR  73           HN       THR  73   2.853   2.681   4.902
  537    HA   THR  73           HA       THR  73   4.532   3.768   3.051
  538    HB   THR  73           HB       THR  73   4.608   5.736   4.707
  539    HG1  THR  73           HG1      THR  73   2.491   4.420   5.965
  540   HG21  THR  73          HG21      THR  73   3.073   5.583   2.816
  541   HG22  THR  73          HG22      THR  73   2.291   6.313   4.218
  542   HG23  THR  73          HG23      THR  73   1.960   4.630   3.796
  543    H    LYS  74           HN       LYS  74   5.218   3.006   6.422
  544    HA   LYS  74           HA       LYS  74   7.812   3.953   6.654
  545    HB2  LYS  74           HB2      LYS  74   6.459   3.051   8.528
  546    HB3  LYS  74           HB1      LYS  74   6.701   1.431   7.896
  547    HG2  LYS  74           HG2      LYS  74   9.182   1.823   8.163
  548    HG3  LYS  74           HG1      LYS  74   8.765   3.285   9.055
  549    HD2  LYS  74           HD2      LYS  74   9.155   1.496  10.625
  550    HD3  LYS  74           HD1      LYS  74   7.430   1.882  10.619
  551    HE2  LYS  74           HE2      LYS  74   7.010  -0.006   9.127
  552    HE3  LYS  74           HE1      LYS  74   8.731  -0.378   9.101
  553    HZ1  LYS  74           HZ1      LYS  74   8.603  -0.810  11.505
  554    HZ2  LYS  74           HZ2      LYS  74   7.595  -1.810  10.595
  555    HZ3  LYS  74           HZ3      LYS  74   6.920  -0.533  11.453
  556    H    TYR  75           HN       TYR  75   6.749   0.675   5.730
  557    HA   TYR  75           HA       TYR  75   9.342  -0.359   5.356
  558    HB2  TYR  75           HB2      TYR  75   7.299  -1.765   5.696
  559    HB3  TYR  75           HB1      TYR  75   6.786  -1.347   4.062
  560    HD1  TYR  75           HD1      TYR  75   9.304  -3.219   6.034
  561    HD2  TYR  75           HD2      TYR  75   7.784  -2.358   2.158
  562    HE1  TYR  75           HE1      TYR  75  10.551  -5.131   5.122
  563    HE2  TYR  75           HE2      TYR  75   9.025  -4.255   1.245
  564    HH   TYR  75           HH       TYR  75  10.366  -6.645   3.190
  565    H    ILE  76           HN       ILE  76   7.008   0.963   3.108
  566    HA   ILE  76           HA       ILE  76   8.440   0.524   0.726
  567    HB   ILE  76           HB       ILE  76   6.424   2.691   1.395
  568   HG12  ILE  76          HG12      ILE  76   6.033   0.066  -0.042
  569   HG13  ILE  76          HG11      ILE  76   5.665   0.329   1.663
  570   HG21  ILE  76          HG21      ILE  76   7.384   1.687  -1.287
  571   HG22  ILE  76          HG22      ILE  76   7.742   3.265  -0.582
  572   HG23  ILE  76          HG23      ILE  76   6.086   2.854  -1.026
  573   HD11  ILE  76          HD11      ILE  76   3.670   0.493   0.302
  574   HD12  ILE  76          HD12      ILE  76   4.441   1.788  -0.646
  575   HD13  ILE  76          HD13      ILE  76   4.094   2.030   1.069
  576    H    LEU  77           HN       LEU  77   8.068   3.542   2.586
  577    HA   LEU  77           HA       LEU  77   9.852   5.118   1.158
  578    HB2  LEU  77           HB2      LEU  77   8.196   6.024   2.626
  579    HB3  LEU  77           HB1      LEU  77   8.964   5.205   3.967
  580    HG   LEU  77           HG       LEU  77  10.882   6.730   3.827
  581   HD11  LEU  77          HD11      LEU  77  10.838   7.174   1.433
  582   HD12  LEU  77          HD12      LEU  77  10.815   8.676   2.355
  583   HD13  LEU  77          HD13      LEU  77   9.332   8.072   1.616
  584   HD21  LEU  77          HD21      LEU  77   9.753   8.753   4.590
  585   HD22  LEU  77          HD22      LEU  77   8.988   7.305   5.251
  586   HD23  LEU  77          HD23      LEU  77   8.235   8.167   3.910
  587    H    ASP  78           HN       ASP  78  10.422   2.862   3.718
  588    HA   ASP  78           HA       ASP  78  13.103   3.807   4.246
  589    HB2  ASP  78           HB2      ASP  78  11.912   2.702   6.046
  590    HB3  ASP  78           HB1      ASP  78  11.762   1.231   5.092
  591    H    HIS  79           HN       HIS  79  11.711   1.233   2.338
  592    HA   HIS  79           HA       HIS  79  14.375   0.214   1.708
  593    HB2  HIS  79           HB2      HIS  79  11.639  -0.957   1.243
  594    HB3  HIS  79           HB1      HIS  79  13.102  -1.662   0.572
  595    HD1  HIS  79           HD1      HIS  79  14.188  -3.374   1.996
  596    HD2  HIS  79           HD2      HIS  79  11.793  -0.817   4.226
  597    HE1  HIS  79           HE1      HIS  79  14.210  -4.285   4.331
  598    HE2  HIS  79           HE2      HIS  79  12.624  -2.833   5.616
  599    H    GLN  80           HN       GLN  80  12.645   2.588   0.438
  600    HA   GLN  80           HA       GLN  80  13.166   1.810  -2.343
  601    HB2  GLN  80           HB2      GLN  80  11.702   3.588  -3.010
  602    HB3  GLN  80           HB1      GLN  80  10.886   2.601  -1.804
  603    HG2  GLN  80           HG2      GLN  80  11.383   4.246  -0.090
  604    HG3  GLN  80           HG1      GLN  80  12.252   5.227  -1.264
  605   HE21  GLN  80          HE21      GLN  80   9.356   3.539  -2.034
  606   HE22  GLN  80          HE22      GLN  80   8.341   4.933  -2.173
  607    H    ALA  81           HN       ALA  81  13.968   3.493  -3.762
  608    HA   ALA  81           HA       ALA  81  15.157   5.870  -2.914
  609    HB1  ALA  81           HB1      ALA  81  16.887   4.366  -2.026
  610    HB2  ALA  81           HB2      ALA  81  17.498   5.259  -3.425
  611    HB3  ALA  81           HB3      ALA  81  17.007   3.568  -3.598
  612    H28  SXO 101          H28B      SXO 101  -6.043 -11.271   4.856
  613   H28A  SXO 101          H28A      SXO 101  -6.125 -11.552   3.115
  614    H30  SXO 101          H30A      SXO 101  -5.423 -14.720   5.814
  615   H30A  SXO 101          H30C      SXO 101  -5.675 -13.039   6.335
  616   H30B  SXO 101          H30B      SXO 101  -7.021 -13.947   5.612
  617    H31  SXO 101          H31A      SXO 101  -5.380 -15.181   3.333
  618   H31A  SXO 101          H31B      SXO 101  -5.692 -13.824   2.238
  619   H31B  SXO 101          H31C      SXO 101  -6.993 -14.452   3.253
  620    H32  SXO 101          H32A      SXO 101  -3.734 -12.282   4.985
  621   HO33  SXO 101          H33A      SXO 101  -2.851 -14.481   3.817
  622   HN36  SXO 101          H36A      SXO 101  -4.529 -11.049   2.920
  623    H37  SXO 101          H37A      SXO 101  -2.701 -11.658   0.673
  624   H37A  SXO 101          H37B      SXO 101  -4.281 -10.919   0.497
  625    H38  SXO 101          H38B      SXO 101  -2.637  -9.186   0.285
  626   H38A  SXO 101          H38A      SXO 101  -1.880  -9.682   1.808
  627   HN41  SXO 101          H41A      SXO 101  -3.126  -9.517   3.755
  628    H42  SXO 101          H42A      SXO 101  -4.023  -6.965   4.249
  629   H42A  SXO 101          H42B      SXO 101  -5.446  -7.932   4.054
  630    H43  SXO 101          H43B      SXO 101  -4.869  -7.943   6.347
  631   H43A  SXO 101          H43A      SXO 101  -4.461  -9.542   5.688
  632    H2   SXO 101           H2A      SXO 101  -0.483  -6.694   5.839
  633    H2A  SXO 101           H2B      SXO 101  -0.959  -5.203   6.665
  634    H3   SXO 101           H3B      SXO 101  -1.491  -5.885   3.779
  635    H3A  SXO 101           H3A      SXO 101  -1.943  -4.386   4.590
  636    H4   SXO 101           H4A      SXO 101   0.873  -5.400   4.232
  637    H4A  SXO 101           H4B      SXO 101   0.405  -3.875   4.991
  638    H5   SXO 101           H5B      SXO 101  -0.118  -4.675   2.141
  639    H5A  SXO 101           H5A      SXO 101  -0.623  -3.162   2.891
  640    H6   SXO 101           H6A      SXO 101   2.209  -4.108   2.494
  641    H6A  SXO 101           H6B      SXO 101   1.728  -2.597   3.285
  642    H7   SXO 101           H7A      SXO 101   0.646  -1.863   1.211
  643    H7A  SXO 101           H7B      SXO 101   1.166  -3.367   0.423
  644    H8   SXO 101           H8C      SXO 101   3.490  -2.766   0.861
  645    H8A  SXO 101           H8A      SXO 101   2.960  -1.279   1.647
  646    H8B  SXO 101           H8B      SXO 101   2.674  -1.517  -0.078
  Start of MODEL    3
    1    H1   ALA   1           HT1      ALA   1  13.082   9.944  -4.707
    2    H2   ALA   1           HT2      ALA   1  11.791   9.183  -5.501
    3    H3   ALA   1           HT3      ALA   1  13.224   8.317  -5.188
    4    HA   ALA   1           HA       ALA   1  11.500   7.675  -3.700
    5    HB1  ALA   1           HB1      ALA   1  13.548   9.411  -2.332
    6    HB2  ALA   1           HB2      ALA   1  13.783   7.738  -2.834
    7    HB3  ALA   1           HB3      ALA   1  12.601   8.124  -1.582
    8    H    ALA   2           HN       ALA   2   9.621   8.219  -3.023
    9    HA   ALA   2           HA       ALA   2   8.951  11.045  -2.531
   10    HB1  ALA   2           HB1      ALA   2   6.637  10.304  -2.836
   11    HB2  ALA   2           HB2      ALA   2   7.182   8.637  -2.999
   12    HB3  ALA   2           HB3      ALA   2   7.616   9.830  -4.223
   13    H    THR   3           HN       THR   3   7.719  11.496  -0.551
   14    HA   THR   3           HA       THR   3   8.586   9.616   1.468
   15    HB   THR   3           HB       THR   3   7.210  12.134   2.286
   16    HG1  THR   3           HG1      THR   3   9.864  12.114   1.218
   17   HG21  THR   3          HG21      THR   3   9.089  12.215   3.893
   18   HG22  THR   3          HG22      THR   3   9.807  10.808   3.104
   19   HG23  THR   3          HG23      THR   3   8.279  10.650   3.962
   20    H    GLN   4           HN       GLN   4   6.832   9.734   3.494
   21    HA   GLN   4           HA       GLN   4   5.072   7.750   2.921
   22    HB2  GLN   4           HB2      GLN   4   5.647   8.210   5.172
   23    HB3  GLN   4           HB1      GLN   4   5.014   9.845   5.081
   24    HG2  GLN   4           HG2      GLN   4   2.762   8.996   4.922
   25    HG3  GLN   4           HG1      GLN   4   3.361   7.341   4.908
   26   HE21  GLN   4          HE21      GLN   4   3.979   6.400   6.794
   27   HE22  GLN   4          HE22      GLN   4   3.701   7.115   8.339
   28    H    GLU   5           HN       GLU   5   4.341  11.171   3.020
   29    HA   GLU   5           HA       GLU   5   1.581  11.039   2.626
   30    HB2  GLU   5           HB2      GLU   5   3.227  13.271   1.481
   31    HB3  GLU   5           HB1      GLU   5   1.640  13.345   2.219
   32    HG2  GLU   5           HG2      GLU   5   2.960  14.349   3.815
   33    HG3  GLU   5           HG1      GLU   5   2.913  12.685   4.398
   34    H    GLU   6           HN       GLU   6   4.157  11.604   0.290
   35    HA   GLU   6           HA       GLU   6   2.498  11.607  -1.995
   36    HB2  GLU   6           HB2      GLU   6   5.437  11.147  -1.675
   37    HB3  GLU   6           HB1      GLU   6   4.649  11.398  -3.239
   38    HG2  GLU   6           HG2      GLU   6   4.847  13.331  -0.941
   39    HG3  GLU   6           HG1      GLU   6   5.721  13.414  -2.470
   40    H    ILE   7           HN       ILE   7   4.203   9.128  -0.245
   41    HA   ILE   7           HA       ILE   7   4.016   7.172  -2.169
   42    HB   ILE   7           HB       ILE   7   4.286   6.904   0.831
   43   HG12  ILE   7          HG12      ILE   7   6.223   7.816  -0.340
   44   HG13  ILE   7          HG11      ILE   7   6.584   6.199   0.252
   45   HG21  ILE   7          HG21      ILE   7   3.143   4.894   0.051
   46   HG22  ILE   7          HG22      ILE   7   4.807   4.526   0.510
   47   HG23  ILE   7          HG23      ILE   7   4.375   4.665  -1.192
   48   HD11  ILE   7          HD11      ILE   7   6.310   5.291  -1.992
   49   HD12  ILE   7          HD12      ILE   7   7.467   6.623  -2.042
   50   HD13  ILE   7          HD13      ILE   7   5.818   6.867  -2.587
   51    H    VAL   8           HN       VAL   8   1.905   7.951   0.622
   52    HA   VAL   8           HA       VAL   8  -0.105   6.036   0.203
   53    HB   VAL   8           HB       VAL   8  -0.337   8.815   1.438
   54   HG11  VAL   8          HG11      VAL   8  -2.415   8.026   2.476
   55   HG12  VAL   8          HG12      VAL   8  -2.298   6.517   1.572
   56   HG13  VAL   8          HG13      VAL   8  -2.547   8.039   0.718
   57   HG21  VAL   8          HG21      VAL   8  -0.093   6.088   2.687
   58   HG22  VAL   8          HG22      VAL   8  -0.302   7.604   3.557
   59   HG23  VAL   8          HG23      VAL   8   1.173   7.318   2.625
   60    H    ALA   9           HN       ALA   9   0.301   9.254  -1.151
   61    HA   ALA   9           HA       ALA   9  -2.085   9.455  -2.596
   62    HB1  ALA   9           HB1      ALA   9   0.637  10.490  -3.353
   63    HB2  ALA   9           HB2      ALA   9  -0.516  11.316  -2.302
   64    HB3  ALA   9           HB3      ALA   9  -0.897  11.062  -4.011
   65    H    GLY  10           HN       GLY  10   0.943   7.836  -3.370
   66    HA2  GLY  10           HA2      GLY  10   0.156   7.089  -6.026
   67    HA3  GLY  10           HA1      GLY  10   1.548   6.469  -5.140
   68    H    LEU  11           HN       LEU  11   0.204   5.526  -2.868
   69    HA   LEU  11           HA       LEU  11  -0.507   2.914  -3.544
   70    HB2  LEU  11           HB2      LEU  11  -1.280   4.521  -1.106
   71    HB3  LEU  11           HB1      LEU  11  -1.568   2.804  -1.271
   72    HG   LEU  11           HG       LEU  11   1.164   4.068  -1.313
   73   HD11  LEU  11          HD11      LEU  11   0.097   4.378   0.875
   74   HD12  LEU  11          HD12      LEU  11   1.370   3.160   0.982
   75   HD13  LEU  11          HD13      LEU  11  -0.322   2.670   0.920
   76   HD21  LEU  11          HD21      LEU  11   0.986   1.910  -2.464
   77   HD22  LEU  11          HD22      LEU  11   0.276   1.197  -1.015
   78   HD23  LEU  11          HD23      LEU  11   1.940   1.779  -0.986
   79    H    ALA  12           HN       ALA  12  -2.539   5.700  -2.913
   80    HA   ALA  12           HA       ALA  12  -4.978   4.335  -3.117
   81    HB1  ALA  12           HB1      ALA  12  -6.032   6.439  -3.203
   82    HB2  ALA  12           HB2      ALA  12  -4.500   7.260  -3.561
   83    HB3  ALA  12           HB3      ALA  12  -4.753   6.471  -1.989
   84    H    GLU  13           HN       GLU  13  -2.819   5.412  -5.628
   85    HA   GLU  13           HA       GLU  13  -4.726   5.702  -7.712
   86    HB2  GLU  13           HB2      GLU  13  -1.953   4.538  -7.979
   87    HB3  GLU  13           HB1      GLU  13  -2.948   5.164  -9.271
   88    HG2  GLU  13           HG2      GLU  13  -2.725   7.412  -8.265
   89    HG3  GLU  13           HG1      GLU  13  -1.613   6.720  -7.080
   90    H    ILE  14           HN       ILE  14  -2.762   2.974  -6.659
   91    HA   ILE  14           HA       ILE  14  -4.020   1.199  -8.482
   92    HB   ILE  14           HB       ILE  14  -2.611   0.202  -5.991
   93   HG12  ILE  14          HG12      ILE  14  -0.590  -0.046  -7.661
   94   HG13  ILE  14          HG11      ILE  14  -1.351   1.297  -8.499
   95   HG21  ILE  14          HG21      ILE  14  -2.998  -0.904  -8.752
   96   HG22  ILE  14          HG22      ILE  14  -3.806  -1.427  -7.269
   97   HG23  ILE  14          HG23      ILE  14  -2.069  -1.693  -7.477
   98   HD11  ILE  14          HD11      ILE  14  -1.106   2.694  -6.529
   99   HD12  ILE  14          HD12      ILE  14   0.454   1.981  -6.952
  100   HD13  ILE  14          HD13      ILE  14  -0.483   1.323  -5.622
  101    H    VAL  15           HN       VAL  15  -4.448   1.955  -5.069
  102    HA   VAL  15           HA       VAL  15  -6.326  -0.069  -4.632
  103    HB   VAL  15           HB       VAL  15  -5.961   2.519  -3.067
  104   HG11  VAL  15          HG11      VAL  15  -7.407  -0.010  -2.291
  105   HG12  VAL  15          HG12      VAL  15  -8.192   1.499  -2.733
  106   HG13  VAL  15          HG13      VAL  15  -7.185   1.418  -1.281
  107   HG21  VAL  15          HG21      VAL  15  -4.813   1.103  -1.468
  108   HG22  VAL  15          HG22      VAL  15  -4.008   1.037  -3.045
  109   HG23  VAL  15          HG23      VAL  15  -5.051  -0.290  -2.513
  110    H    ASN  16           HN       ASN  16  -6.757   3.215  -5.840
  111    HA   ASN  16           HA       ASN  16  -9.608   3.079  -5.939
  112    HB2  ASN  16           HB2      ASN  16  -8.531   5.265  -5.949
  113    HB3  ASN  16           HB1      ASN  16  -7.633   4.855  -7.399
  114   HD21  ASN  16          HD21      ASN  16 -10.766   5.775  -6.122
  115   HD22  ASN  16          HD22      ASN  16 -11.479   6.136  -7.638
  116    H    GLU  17           HN       GLU  17  -7.021   2.370  -8.189
  117    HA   GLU  17           HA       GLU  17  -8.522   1.846 -10.489
  118    HB2  GLU  17           HB2      GLU  17  -6.045   2.149 -10.327
  119    HB3  GLU  17           HB1      GLU  17  -5.935   0.568  -9.582
  120    HG2  GLU  17           HG2      GLU  17  -6.833  -0.428 -11.647
  121    HG3  GLU  17           HG1      GLU  17  -6.840   1.175 -12.384
  122    H    ILE  18           HN       ILE  18  -7.436  -0.272  -7.881
  123    HA   ILE  18           HA       ILE  18  -8.561  -2.667  -9.000
  124    HB   ILE  18           HB       ILE  18  -7.278  -2.019  -6.356
  125   HG12  ILE  18          HG12      ILE  18  -5.813  -1.925  -8.226
  126   HG13  ILE  18          HG11      ILE  18  -5.395  -3.328  -7.240
  127   HG21  ILE  18          HG21      ILE  18  -7.134  -4.405  -5.876
  128   HG22  ILE  18          HG22      ILE  18  -8.154  -4.749  -7.279
  129   HG23  ILE  18          HG23      ILE  18  -8.797  -3.819  -5.920
  130   HD11  ILE  18          HD11      ILE  18  -6.934  -3.350  -9.836
  131   HD12  ILE  18          HD12      ILE  18  -6.579  -4.771  -8.853
  132   HD13  ILE  18          HD13      ILE  18  -5.264  -3.869  -9.607
  133    H    ALA  19           HN       ALA  19  -9.322  -0.733  -6.075
  134    HA   ALA  19           HA       ALA  19 -11.745  -2.366  -5.837
  135    HB1  ALA  19           HB1      ALA  19 -11.748  -1.797  -3.485
  136    HB2  ALA  19           HB2      ALA  19 -10.356  -0.742  -3.721
  137    HB3  ALA  19           HB3      ALA  19 -10.193  -2.481  -3.957
  138    H    GLY  20           HN       GLY  20 -10.617   0.917  -5.892
  139    HA2  GLY  20           HA2      GLY  20 -11.895   2.703  -6.834
  140    HA3  GLY  20           HA1      GLY  20 -13.345   1.737  -6.596
  141    H    ILE  21           HN       ILE  21 -10.783   3.225  -4.689
  142    HA   ILE  21           HA       ILE  21 -12.770   3.958  -2.670
  143    HB   ILE  21           HB       ILE  21 -10.703   4.507  -1.274
  144   HG12  ILE  21          HG12      ILE  21  -8.663   3.110  -1.904
  145   HG13  ILE  21          HG11      ILE  21  -9.351   2.985  -3.506
  146   HG21  ILE  21          HG21      ILE  21 -11.197   1.650  -2.034
  147   HG22  ILE  21          HG22      ILE  21 -12.050   2.593  -0.811
  148   HG23  ILE  21          HG23      ILE  21 -10.344   2.196  -0.589
  149   HD11  ILE  21          HD11      ILE  21  -8.478   5.520  -2.126
  150   HD12  ILE  21          HD12      ILE  21  -9.171   5.423  -3.746
  151   HD13  ILE  21          HD13      ILE  21  -7.611   4.674  -3.408
  152    HA   PRO  22           HA       PRO  22 -12.129   8.252  -3.671
  153    HB2  PRO  22           HB2      PRO  22 -12.290   8.954  -0.815
  154    HB3  PRO  22           HB1      PRO  22 -13.426   9.349  -2.108
  155    HG2  PRO  22           HG2      PRO  22 -14.015   7.587  -0.141
  156    HG3  PRO  22           HG1      PRO  22 -14.662   7.437  -1.785
  157    HD2  PRO  22           HD2      PRO  22 -12.391   5.978  -0.497
  158    HD3  PRO  22           HD1      PRO  22 -13.656   5.358  -1.579
  159    H    VAL  23           HN       VAL  23 -10.233   9.429  -3.863
  160    HA   VAL  23           HA       VAL  23  -7.875   8.271  -2.872
  161    HB   VAL  23           HB       VAL  23  -8.132   9.408  -5.058
  162   HG11  VAL  23          HG11      VAL  23  -7.946  11.852  -5.205
  163   HG12  VAL  23          HG12      VAL  23  -8.088  11.934  -3.442
  164   HG13  VAL  23          HG13      VAL  23  -9.426  11.312  -4.397
  165   HG21  VAL  23          HG21      VAL  23  -5.941  10.448  -3.300
  166   HG22  VAL  23          HG22      VAL  23  -5.931  10.459  -5.073
  167   HG23  VAL  23          HG23      VAL  23  -5.958   8.922  -4.190
  168    H    GLU  24           HN       GLU  24  -9.916  10.731  -1.621
  169    HA   GLU  24           HA       GLU  24  -7.866  11.722   0.174
  170    HB2  GLU  24           HB2      GLU  24  -9.623  13.310   0.965
  171    HB3  GLU  24           HB1      GLU  24  -9.241  13.456  -0.739
  172    HG2  GLU  24           HG2      GLU  24 -11.601  11.869   0.220
  173    HG3  GLU  24           HG1      GLU  24 -11.689  13.611  -0.014
  174    H    ASP  25           HN       ASP  25  -9.898   9.156   0.129
  175    HA   ASP  25           HA       ASP  25 -10.732   9.248   2.903
  176    HB2  ASP  25           HB2      ASP  25 -12.070   8.148   1.092
  177    HB3  ASP  25           HB1      ASP  25 -10.805   6.950   0.947
  178    H    VAL  26           HN       VAL  26  -8.264   7.857   0.934
  179    HA   VAL  26           HA       VAL  26  -7.188   6.095   2.939
  180    HB   VAL  26           HB       VAL  26  -5.907   7.015   0.347
  181   HG11  VAL  26          HG11      VAL  26  -4.599   4.944   0.531
  182   HG12  VAL  26          HG12      VAL  26  -5.375   4.595   2.076
  183   HG13  VAL  26          HG13      VAL  26  -4.328   6.005   1.914
  184   HG21  VAL  26          HG21      VAL  26  -8.074   6.001  -0.088
  185   HG22  VAL  26          HG22      VAL  26  -7.629   4.599   0.885
  186   HG23  VAL  26          HG23      VAL  26  -6.773   4.936  -0.620
  187    H    LYS  27           HN       LYS  27  -6.804   7.366   4.638
  188    HA   LYS  27           HA       LYS  27  -4.506   9.174   4.438
  189    HB2  LYS  27           HB2      LYS  27  -6.699   9.055   6.521
  190    HB3  LYS  27           HB1      LYS  27  -5.309  10.132   6.589
  191    HG2  LYS  27           HG2      LYS  27  -7.465  10.144   4.481
  192    HG3  LYS  27           HG1      LYS  27  -7.273  11.314   5.791
  193    HD2  LYS  27           HD2      LYS  27  -5.126  12.004   4.885
  194    HD3  LYS  27           HD1      LYS  27  -5.254  10.790   3.613
  195    HE2  LYS  27           HE2      LYS  27  -7.266  11.918   2.771
  196    HE3  LYS  27           HE1      LYS  27  -7.085  13.152   4.022
  197    HZ1  LYS  27           HZ1      LYS  27  -5.101  12.536   1.915
  198    HZ2  LYS  27           HZ2      LYS  27  -4.992  13.799   3.070
  199    HZ3  LYS  27           HZ3      LYS  27  -6.175  13.831   1.862
  200    H    LEU  28           HN       LEU  28  -3.466   9.119   6.936
  201    HA   LEU  28           HA       LEU  28  -2.210   6.591   6.787
  202    HB2  LEU  28           HB2      LEU  28  -1.783   8.921   8.604
  203    HB3  LEU  28           HB1      LEU  28  -0.965   7.401   8.894
  204    HG   LEU  28           HG       LEU  28   0.553   8.783   7.738
  205   HD11  LEU  28          HD11      LEU  28   0.568   6.498   7.036
  206   HD12  LEU  28          HD12      LEU  28   0.981   7.555   5.686
  207   HD13  LEU  28          HD13      LEU  28  -0.628   6.840   5.786
  208   HD21  LEU  28          HD21      LEU  28   0.104   9.820   5.557
  209   HD22  LEU  28          HD22      LEU  28  -0.982  10.435   6.804
  210   HD23  LEU  28          HD23      LEU  28  -1.565   9.248   5.636
  211    H    ASP  29           HN       ASP  29  -4.907   7.465   8.594
  212    HA   ASP  29           HA       ASP  29  -4.462   5.341  10.533
  213    HB2  ASP  29           HB2      ASP  29  -6.590   6.026  11.570
  214    HB3  ASP  29           HB1      ASP  29  -5.477   7.371  11.406
  215    H    LYS  30           HN       LYS  30  -5.065   5.079   7.542
  216    HA   LYS  30           HA       LYS  30  -7.356   3.262   7.739
  217    HB2  LYS  30           HB2      LYS  30  -5.937   4.243   5.257
  218    HB3  LYS  30           HB1      LYS  30  -7.453   3.367   5.328
  219    HG2  LYS  30           HG2      LYS  30  -7.046   6.116   6.480
  220    HG3  LYS  30           HG1      LYS  30  -7.646   5.810   4.859
  221    HD2  LYS  30           HD2      LYS  30  -8.971   4.777   7.357
  222    HD3  LYS  30           HD1      LYS  30  -9.397   6.307   6.583
  223    HE2  LYS  30           HE2      LYS  30  -9.857   5.025   4.492
  224    HE3  LYS  30           HE1      LYS  30  -9.599   3.542   5.409
  225    HZ1  LYS  30           HZ1      LYS  30 -11.635   5.604   5.977
  226    HZ2  LYS  30           HZ2      LYS  30 -11.471   4.179   6.858
  227    HZ3  LYS  30           HZ3      LYS  30 -11.953   4.139   5.232
  228    H    SER  31           HN       SER  31  -7.096   1.143   7.335
  229    HA   SER  31           HA       SER  31  -4.475   0.123   6.595
  230    HB2  SER  31           HB2      SER  31  -5.433  -1.993   7.656
  231    HB3  SER  31           HB1      SER  31  -5.032  -0.669   8.750
  232    HG   SER  31           HG       SER  31  -7.238  -0.137   8.854
  233    H    PHE  32           HN       PHE  32  -4.694  -1.930   5.156
  234    HA   PHE  32           HA       PHE  32  -6.145  -0.917   2.924
  235    HB2  PHE  32           HB2      PHE  32  -4.389  -3.325   3.233
  236    HB3  PHE  32           HB1      PHE  32  -5.149  -2.849   1.717
  237    HD1  PHE  32           HD1      PHE  32  -2.591  -2.033   4.200
  238    HD2  PHE  32           HD2      PHE  32  -4.368  -0.907   0.501
  239    HE1  PHE  32           HE1      PHE  32  -0.707  -0.517   3.763
  240    HE2  PHE  32           HE2      PHE  32  -2.483   0.609   0.056
  241    HZ   PHE  32           HZ       PHE  32  -0.624   0.752   1.632
  242    H    THR  33           HN       THR  33  -6.666  -3.645   5.070
  243    HA   THR  33           HA       THR  33  -9.028  -4.086   3.449
  244    HB   THR  33           HB       THR  33  -7.447  -5.831   3.031
  245    HG1  THR  33           HG1      THR  33  -9.772  -6.310   3.320
  246   HG21  THR  33          HG21      THR  33  -6.145  -5.807   5.071
  247   HG22  THR  33          HG22      THR  33  -6.735  -7.443   4.781
  248   HG23  THR  33          HG23      THR  33  -7.517  -6.425   5.990
  249    H    ASP  34           HN       ASP  34  -8.282  -2.741   6.133
  250    HA   ASP  34           HA       ASP  34 -10.617  -3.905   7.464
  251    HB2  ASP  34           HB2      ASP  34  -8.591  -4.245   8.810
  252    HB3  ASP  34           HB1      ASP  34  -8.355  -2.499   8.879
  253    H    ASP  35           HN       ASP  35  -8.895  -0.847   7.104
  254    HA   ASP  35           HA       ASP  35 -11.387   0.561   7.707
  255    HB2  ASP  35           HB2      ASP  35  -8.744   1.750   6.876
  256    HB3  ASP  35           HB1      ASP  35 -10.146   2.626   7.388
  257    H    LEU  36           HN       LEU  36  -9.624  -0.524   5.003
  258    HA   LEU  36           HA       LEU  36 -11.165   1.216   3.260
  259    HB2  LEU  36           HB2      LEU  36  -8.824  -0.605   2.696
  260    HB3  LEU  36           HB1      LEU  36  -9.691   0.297   1.472
  261    HG   LEU  36           HG       LEU  36  -8.120   1.512   3.742
  262   HD11  LEU  36          HD11      LEU  36  -6.688   0.444   2.054
  263   HD12  LEU  36          HD12      LEU  36  -6.561   2.199   1.987
  264   HD13  LEU  36          HD13      LEU  36  -7.524   1.340   0.786
  265   HD21  LEU  36          HD21      LEU  36  -8.507   3.616   2.565
  266   HD22  LEU  36          HD22      LEU  36 -10.022   2.855   3.069
  267   HD23  LEU  36          HD23      LEU  36  -9.506   2.760   1.383
  268    H    ASP  37           HN       ASP  37 -11.824  -0.030   1.181
  269    HA   ASP  37           HA       ASP  37 -13.494  -2.248   2.167
  270    HB2  ASP  37           HB2      ASP  37 -14.622  -0.235   1.177
  271    HB3  ASP  37           HB1      ASP  37 -13.816  -0.579  -0.346
  272    H    VAL  38           HN       VAL  38 -10.696  -2.104   1.116
  273    HA   VAL  38           HA       VAL  38 -10.710  -3.648  -1.330
  274    HB   VAL  38           HB       VAL  38  -8.389  -2.894   0.441
  275   HG11  VAL  38          HG11      VAL  38  -7.060  -3.113  -1.610
  276   HG12  VAL  38          HG12      VAL  38  -8.504  -3.619  -2.485
  277   HG13  VAL  38          HG13      VAL  38  -7.869  -4.622  -1.182
  278   HG21  VAL  38          HG21      VAL  38  -9.603  -0.895  -0.140
  279   HG22  VAL  38          HG22      VAL  38  -9.580  -1.349  -1.845
  280   HG23  VAL  38          HG23      VAL  38  -8.074  -0.959  -1.013
  281    H    ASP  39           HN       ASP  39 -11.140  -5.760  -1.074
  282    HA   ASP  39           HA       ASP  39 -10.671  -7.250   1.270
  283    HB2  ASP  39           HB2      ASP  39 -10.791  -8.232  -1.600
  284    HB3  ASP  39           HB1      ASP  39 -10.859  -9.260  -0.175
  285    H    SER  40           HN       SER  40  -8.933  -8.562   1.822
  286    HA   SER  40           HA       SER  40  -6.470  -7.448   1.233
  287    HB2  SER  40           HB2      SER  40  -5.623  -9.382   2.548
  288    HB3  SER  40           HB1      SER  40  -6.914  -8.399   3.272
  289    H    LEU  41           HN       LEU  41  -7.980 -10.390   0.058
  290    HA   LEU  41           HA       LEU  41  -5.740 -11.252  -1.302
  291    HB2  LEU  41           HB2      LEU  41  -8.646 -11.902  -1.787
  292    HB3  LEU  41           HB1      LEU  41  -7.384 -12.598  -2.778
  293    HG   LEU  41           HG       LEU  41  -6.384 -13.499  -0.614
  294   HD11  LEU  41          HD11      LEU  41  -9.105 -12.821   0.463
  295   HD12  LEU  41          HD12      LEU  41  -7.556 -12.163   1.001
  296   HD13  LEU  41          HD13      LEU  41  -7.921 -13.871   1.239
  297   HD21  LEU  41          HD21      LEU  41  -7.489 -14.914  -2.235
  298   HD22  LEU  41          HD22      LEU  41  -9.059 -14.525  -1.531
  299   HD23  LEU  41          HD23      LEU  41  -7.875 -15.437  -0.596
  300    H    SER  42           HN       SER  42  -7.992  -8.770  -1.956
  301    HA   SER  42           HA       SER  42  -7.485  -8.477  -4.761
  302    HB2  SER  42           HB2      SER  42  -8.835  -6.739  -2.735
  303    HB3  SER  42           HB1      SER  42  -8.877  -6.452  -4.488
  304    HG   SER  42           HG       SER  42 -10.651  -7.533  -4.170
  305    H    MET  43           HN       MET  43  -6.328  -7.113  -1.701
  306    HA   MET  43           HA       MET  43  -4.878  -4.936  -2.835
  307    HB2  MET  43           HB2      MET  43  -5.399  -5.210  -0.353
  308    HB3  MET  43           HB1      MET  43  -4.077  -6.377  -0.300
  309    HG2  MET  43           HG2      MET  43  -2.764  -4.417  -1.490
  310    HG3  MET  43           HG1      MET  43  -3.994  -3.430  -0.716
  311    HE1  MET  43           HE1      MET  43  -2.191  -6.742   0.512
  312    HE2  MET  43           HE2      MET  43  -0.910  -6.019   1.475
  313    HE3  MET  43           HE3      MET  43  -0.930  -5.780  -0.269
  314    H    VAL  44           HN       VAL  44  -4.306  -8.263  -2.690
  315    HA   VAL  44           HA       VAL  44  -1.528  -8.291  -3.076
  316    HB   VAL  44           HB       VAL  44  -3.471 -10.287  -4.294
  317   HG11  VAL  44          HG11      VAL  44  -1.615 -11.881  -4.140
  318   HG12  VAL  44          HG12      VAL  44  -0.566 -10.597  -3.540
  319   HG13  VAL  44          HG13      VAL  44  -1.220 -10.508  -5.175
  320   HG21  VAL  44          HG21      VAL  44  -3.141 -11.622  -2.252
  321   HG22  VAL  44          HG22      VAL  44  -3.922 -10.075  -1.936
  322   HG23  VAL  44          HG23      VAL  44  -2.215 -10.292  -1.547
  323    H    GLU  45           HN       GLU  45  -4.083  -7.379  -5.244
  324    HA   GLU  45           HA       GLU  45  -2.480  -7.473  -7.643
  325    HB2  GLU  45           HB2      GLU  45  -5.033  -5.968  -7.049
  326    HB3  GLU  45           HB1      GLU  45  -4.335  -6.228  -8.639
  327    HG2  GLU  45           HG2      GLU  45  -5.373  -8.369  -6.810
  328    HG3  GLU  45           HG1      GLU  45  -6.228  -7.694  -8.196
  329    H    VAL  46           HN       VAL  46  -2.974  -5.401  -5.014
  330    HA   VAL  46           HA       VAL  46  -2.211  -2.930  -6.284
  331    HB   VAL  46           HB       VAL  46  -2.632  -3.592  -3.348
  332   HG11  VAL  46          HG11      VAL  46  -2.778  -1.170  -2.987
  333   HG12  VAL  46          HG12      VAL  46  -2.352  -0.895  -4.678
  334   HG13  VAL  46          HG13      VAL  46  -1.189  -1.643  -3.586
  335   HG21  VAL  46          HG21      VAL  46  -4.677  -3.847  -4.644
  336   HG22  VAL  46          HG22      VAL  46  -4.466  -2.235  -5.327
  337   HG23  VAL  46          HG23      VAL  46  -4.781  -2.429  -3.602
  338    H    VAL  47           HN       VAL  47  -0.867  -5.118  -3.848
  339    HA   VAL  47           HA       VAL  47   1.493  -3.796  -3.332
  340    HB   VAL  47           HB       VAL  47   0.984  -5.644  -1.897
  341   HG11  VAL  47          HG11      VAL  47   1.337  -7.462  -4.273
  342   HG12  VAL  47          HG12      VAL  47  -0.191  -7.079  -3.479
  343   HG13  VAL  47          HG13      VAL  47   1.053  -7.979  -2.611
  344   HG21  VAL  47          HG21      VAL  47   3.345  -5.187  -2.126
  345   HG22  VAL  47          HG22      VAL  47   3.412  -6.271  -3.516
  346   HG23  VAL  47          HG23      VAL  47   3.087  -6.929  -1.904
  347    H    VAL  48           HN       VAL  48   1.123  -6.235  -5.913
  348    HA   VAL  48           HA       VAL  48   3.763  -6.304  -6.895
  349    HB   VAL  48           HB       VAL  48   1.751  -6.045  -8.933
  350   HG11  VAL  48          HG11      VAL  48   2.652  -8.187  -9.774
  351   HG12  VAL  48          HG12      VAL  48   3.717  -8.227  -8.368
  352   HG13  VAL  48          HG13      VAL  48   3.852  -6.915  -9.542
  353   HG21  VAL  48          HG21      VAL  48   0.301  -6.877  -7.402
  354   HG22  VAL  48          HG22      VAL  48   1.364  -8.224  -6.926
  355   HG23  VAL  48          HG23      VAL  48   0.619  -8.173  -8.552
  356    H    ALA  49           HN       ALA  49   1.000  -4.355  -7.797
  357    HA   ALA  49           HA       ALA  49   2.225  -2.962  -9.757
  358    HB1  ALA  49           HB1      ALA  49  -0.162  -3.175  -9.648
  359    HB2  ALA  49           HB2      ALA  49   0.260  -1.463  -9.704
  360    HB3  ALA  49           HB3      ALA  49  -0.220  -2.205  -8.176
  361    H    ALA  50           HN       ALA  50   2.012  -2.462  -6.345
  362    HA   ALA  50           HA       ALA  50   2.796   0.268  -6.280
  363    HB1  ALA  50           HB1      ALA  50   2.917  -1.776  -4.059
  364    HB2  ALA  50           HB2      ALA  50   1.523  -0.767  -4.439
  365    HB3  ALA  50           HB3      ALA  50   3.019  -0.025  -3.874
  366    H    GLU  51           HN       GLU  51   4.534  -2.784  -6.015
  367    HA   GLU  51           HA       GLU  51   7.022  -1.832  -5.228
  368    HB2  GLU  51           HB2      GLU  51   6.503  -4.043  -7.221
  369    HB3  GLU  51           HB1      GLU  51   7.997  -3.772  -6.346
  370    HG2  GLU  51           HG2      GLU  51   6.808  -4.214  -4.242
  371    HG3  GLU  51           HG1      GLU  51   5.353  -4.567  -5.175
  372    H    GLU  52           HN       GLU  52   5.705  -2.152  -8.484
  373    HA   GLU  52           HA       GLU  52   8.031  -1.122  -9.727
  374    HB2  GLU  52           HB2      GLU  52   6.643  -0.981 -11.777
  375    HB3  GLU  52           HB1      GLU  52   6.635  -2.561 -11.011
  376    HG2  GLU  52           HG2      GLU  52   4.438  -2.023 -10.007
  377    HG3  GLU  52           HG1      GLU  52   4.500  -0.476 -10.819
  378    H    ARG  53           HN       ARG  53   4.947   0.427  -8.816
  379    HA   ARG  53           HA       ARG  53   5.582   2.828 -10.170
  380    HB2  ARG  53           HB2      ARG  53   3.594   2.442  -7.921
  381    HB3  ARG  53           HB1      ARG  53   3.722   3.877  -8.924
  382    HG2  ARG  53           HG2      ARG  53   3.234   2.422 -10.909
  383    HG3  ARG  53           HG1      ARG  53   2.901   1.114  -9.779
  384    HD2  ARG  53           HD2      ARG  53   1.177   2.592  -8.714
  385    HD3  ARG  53           HD1      ARG  53   1.448   3.744 -10.019
  386    HE   ARG  53           HE       ARG  53   0.837   1.083 -10.931
  387   HH11  ARG  53          HH11      ARG  53  -0.619   4.261 -10.096
  388   HH12  ARG  53          HH12      ARG  53  -2.123   3.836 -10.797
  389   HH21  ARG  53          HH21      ARG  53  -1.237   0.577 -11.837
  390   HH22  ARG  53          HH22      ARG  53  -2.507   1.682 -11.782
  391    H    PHE  54           HN       PHE  54   6.172   1.775  -6.865
  392    HA   PHE  54           HA       PHE  54   7.226   4.415  -6.243
  393    HB2  PHE  54           HB2      PHE  54   6.916   2.011  -4.457
  394    HB3  PHE  54           HB1      PHE  54   7.438   3.610  -3.939
  395    HD1  PHE  54           HD2      PHE  54   5.772   5.516  -4.836
  396    HD2  PHE  54           HD1      PHE  54   4.763   1.480  -4.024
  397    HE1  PHE  54           HE2      PHE  54   3.449   6.175  -4.496
  398    HE2  PHE  54           HE1      PHE  54   2.426   2.131  -3.688
  399    HZ   PHE  54           HZ       PHE  54   1.755   4.444  -3.952
  400    H    ASP  55           HN       ASP  55   8.413   1.772  -7.701
  401    HA   ASP  55           HA       ASP  55  10.480   0.907  -8.157
  402    HB2  ASP  55           HB2      ASP  55  11.306   3.544  -6.964
  403    HB3  ASP  55           HB1      ASP  55  12.492   2.408  -7.608
  404    H    VAL  56           HN       VAL  56   9.259   0.023  -5.893
  405    HA   VAL  56           HA       VAL  56  11.490  -0.377  -4.041
  406    HB   VAL  56           HB       VAL  56   9.660   1.181  -3.220
  407   HG11  VAL  56          HG11      VAL  56   7.585   0.256  -2.341
  408   HG12  VAL  56          HG12      VAL  56   7.975  -1.283  -3.091
  409   HG13  VAL  56          HG13      VAL  56   7.711   0.144  -4.098
  410   HG21  VAL  56          HG21      VAL  56   9.548   0.265  -0.924
  411   HG22  VAL  56          HG22      VAL  56  11.174   0.182  -1.603
  412   HG23  VAL  56          HG23      VAL  56  10.174  -1.270  -1.527
  413    H    LYS  57           HN       LYS  57  10.485  -2.368  -2.472
  414    HA   LYS  57           HA       LYS  57   9.346  -4.443  -4.156
  415    HB2  LYS  57           HB2      LYS  57  11.830  -4.698  -2.428
  416    HB3  LYS  57           HB1      LYS  57  10.933  -6.065  -3.067
  417    HG2  LYS  57           HG2      LYS  57  11.472  -5.365  -5.335
  418    HG3  LYS  57           HG1      LYS  57  12.353  -3.973  -4.695
  419    HD2  LYS  57           HD2      LYS  57  13.921  -5.432  -3.586
  420    HD3  LYS  57           HD1      LYS  57  12.998  -6.850  -4.082
  421    HE2  LYS  57           HE2      LYS  57  14.318  -4.903  -5.964
  422    HE3  LYS  57           HE1      LYS  57  15.008  -6.446  -5.467
  423    HZ1  LYS  57           HZ1      LYS  57  13.951  -6.683  -7.575
  424    HZ2  LYS  57           HZ2      LYS  57  12.487  -6.056  -7.014
  425    HZ3  LYS  57           HZ3      LYS  57  13.024  -7.538  -6.451
  426    H    ILE  58           HN       ILE  58   7.811  -5.483  -3.023
  427    HA   ILE  58           HA       ILE  58   7.787  -5.135  -0.119
  428    HB   ILE  58           HB       ILE  58   5.296  -4.768  -1.840
  429   HG12  ILE  58          HG12      ILE  58   6.833  -2.647  -0.314
  430   HG13  ILE  58          HG11      ILE  58   6.930  -2.870  -2.053
  431   HG21  ILE  58          HG21      ILE  58   4.871  -5.692   0.389
  432   HG22  ILE  58          HG22      ILE  58   4.266  -4.040   0.278
  433   HG23  ILE  58          HG23      ILE  58   5.780  -4.371   1.123
  434   HD11  ILE  58          HD11      ILE  58   4.450  -2.136  -0.513
  435   HD12  ILE  58          HD12      ILE  58   4.563  -2.336  -2.263
  436   HD13  ILE  58          HD13      ILE  58   5.446  -1.037  -1.467
  437    HA   PRO  59           HA       PRO  59   7.339  -9.508  -1.339
  438    HB2  PRO  59           HB2      PRO  59   8.429  -9.858   1.385
  439    HB3  PRO  59           HB1      PRO  59   8.993 -10.533  -0.149
  440    HG2  PRO  59           HG2      PRO  59  10.356  -8.606   1.066
  441    HG3  PRO  59           HG1      PRO  59  10.184  -8.627  -0.702
  442    HD2  PRO  59           HD2      PRO  59   8.680  -7.018   1.327
  443    HD3  PRO  59           HD1      PRO  59   9.391  -6.494  -0.217
  444    H    ASP  60           HN       ASP  60   5.833 -10.913  -0.830
  445    HA   ASP  60           HA       ASP  60   3.514 -10.087   0.482
  446    HB2  ASP  60           HB2      ASP  60   2.613 -12.332   0.106
  447    HB3  ASP  60           HB1      ASP  60   3.438 -11.730  -1.321
  448    H    ASP  61           HN       ASP  61   6.237 -11.746   1.852
  449    HA   ASP  61           HA       ASP  61   4.781 -12.609   4.167
  450    HB2  ASP  61           HB2      ASP  61   6.888 -13.224   5.149
  451    HB3  ASP  61           HB1      ASP  61   6.980 -13.647   3.447
  452    H    ASP  62           HN       ASP  62   6.779  -9.854   3.321
  453    HA   ASP  62           HA       ASP  62   6.549  -8.609   5.847
  454    HB2  ASP  62           HB2      ASP  62   7.429  -7.595   3.162
  455    HB3  ASP  62           HB1      ASP  62   7.186  -6.477   4.499
  456    H    VAL  63           HN       VAL  63   4.708  -8.515   2.946
  457    HA   VAL  63           HA       VAL  63   2.851  -6.521   3.421
  458    HB   VAL  63           HB       VAL  63   2.493  -9.271   2.180
  459   HG11  VAL  63          HG11      VAL  63   0.310  -8.509   2.950
  460   HG12  VAL  63          HG12      VAL  63   0.406  -8.422   1.192
  461   HG13  VAL  63          HG13      VAL  63   0.570  -6.956   2.161
  462   HG21  VAL  63          HG21      VAL  63   3.996  -7.776   1.002
  463   HG22  VAL  63          HG22      VAL  63   2.757  -6.522   0.979
  464   HG23  VAL  63          HG23      VAL  63   2.513  -8.020   0.079
  465    H    LYS  64           HN       LYS  64   2.659  -9.920   4.450
  466    HA   LYS  64           HA       LYS  64   0.265  -9.608   5.932
  467    HB2  LYS  64           HB2      LYS  64   2.347 -11.780   6.022
  468    HB3  LYS  64           HB1      LYS  64   0.825 -11.848   6.892
  469    HG2  LYS  64           HG2      LYS  64  -0.364 -11.678   4.724
  470    HG3  LYS  64           HG1      LYS  64   1.201 -11.755   3.908
  471    HD2  LYS  64           HD2      LYS  64   0.143 -13.874   5.785
  472    HD3  LYS  64           HD1      LYS  64   0.002 -13.940   4.032
  473    HE2  LYS  64           HE2      LYS  64   2.601 -13.801   5.560
  474    HE3  LYS  64           HE1      LYS  64   1.888 -15.283   4.919
  475    HZ1  LYS  64           HZ1      LYS  64   3.538 -14.479   3.396
  476    HZ2  LYS  64           HZ2      LYS  64   2.832 -12.945   3.342
  477    HZ3  LYS  64           HZ3      LYS  64   2.027 -14.251   2.679
  478    H    ASN  65           HN       ASN  65   3.389  -8.666   6.700
  479    HA   ASN  65           HA       ASN  65   3.006  -8.937   9.574
  480    HB2  ASN  65           HB2      ASN  65   5.227  -9.409   8.525
  481    HB3  ASN  65           HB1      ASN  65   5.321  -7.724   8.043
  482   HD21  ASN  65          HD21      ASN  65   5.502  -9.971  10.658
  483   HD22  ASN  65          HD22      ASN  65   6.210  -8.909  11.816
  484    H    LEU  66           HN       LEU  66   2.488  -6.683   7.046
  485    HA   LEU  66           HA       LEU  66   2.630  -4.362   8.777
  486    HB2  LEU  66           HB2      LEU  66   1.930  -4.663   5.857
  487    HB3  LEU  66           HB1      LEU  66   2.073  -3.136   6.710
  488    HG   LEU  66           HG       LEU  66   4.334  -5.091   6.299
  489   HD11  LEU  66          HD11      LEU  66   5.183  -3.428   4.710
  490   HD12  LEU  66          HD12      LEU  66   3.658  -2.538   4.882
  491   HD13  LEU  66          HD13      LEU  66   3.664  -4.166   4.204
  492   HD21  LEU  66          HD21      LEU  66   4.594  -3.726   8.303
  493   HD22  LEU  66          HD22      LEU  66   4.320  -2.263   7.354
  494   HD23  LEU  66          HD23      LEU  66   5.749  -3.254   7.056
  495    H    LYS  67           HN       LYS  67   0.729  -2.888   8.665
  496    HA   LYS  67           HA       LYS  67  -1.760  -4.403   8.522
  497    HB2  LYS  67           HB2      LYS  67  -2.467  -3.523  10.747
  498    HB3  LYS  67           HB1      LYS  67  -1.137  -4.668  10.778
  499    HG2  LYS  67           HG2      LYS  67   0.328  -2.505  10.752
  500    HG3  LYS  67           HG1      LYS  67  -1.142  -1.753  11.377
  501    HD2  LYS  67           HD2      LYS  67   0.163  -2.438  13.261
  502    HD3  LYS  67           HD1      LYS  67  -1.205  -3.548  13.133
  503    HE2  LYS  67           HE2      LYS  67   0.785  -4.841  13.576
  504    HE3  LYS  67           HE1      LYS  67   0.272  -5.147  11.916
  505    HZ1  LYS  67           HZ1      LYS  67   2.030  -3.542  11.164
  506    HZ2  LYS  67           HZ2      LYS  67   2.696  -4.807  12.046
  507    HZ3  LYS  67           HZ3      LYS  67   2.456  -3.329  12.776
  508    H    THR  68           HN       THR  68  -0.645  -1.035   9.194
  509    HA   THR  68           HA       THR  68  -3.075  -0.189   7.799
  510    HB   THR  68           HB       THR  68  -2.643   2.034   8.813
  511    HG1  THR  68           HG1      THR  68  -0.964   1.408  10.745
  512   HG21  THR  68          HG21      THR  68  -4.129   0.469   9.984
  513   HG22  THR  68          HG22      THR  68  -3.193   1.413  11.143
  514   HG23  THR  68          HG23      THR  68  -2.740  -0.256  10.794
  515    H    VAL  69           HN       VAL  69  -2.607   2.098   6.720
  516    HA   VAL  69           HA       VAL  69  -0.546   1.616   4.807
  517    HB   VAL  69           HB       VAL  69  -1.221   3.692   3.723
  518   HG11  VAL  69          HG11      VAL  69  -3.597   3.232   3.312
  519   HG12  VAL  69          HG12      VAL  69  -3.598   2.158   4.718
  520   HG13  VAL  69          HG13      VAL  69  -2.615   1.759   3.310
  521   HG21  VAL  69          HG21      VAL  69  -2.964   4.167   6.124
  522   HG22  VAL  69          HG22      VAL  69  -2.946   5.141   4.653
  523   HG23  VAL  69          HG23      VAL  69  -1.518   5.077   5.691
  524    H    GLY  70           HN       GLY  70  -0.804   3.279   7.785
  525    HA2  GLY  70           HA2      GLY  70   1.475   4.984   7.419
  526    HA3  GLY  70           HA1      GLY  70   0.675   4.627   8.952
  527    H    ASP  71           HN       ASP  71   0.797   1.861   8.763
  528    HA   ASP  71           HA       ASP  71   3.423   1.355   9.728
  529    HB2  ASP  71           HB2      ASP  71   1.441   0.211  10.608
  530    HB3  ASP  71           HB1      ASP  71   1.155  -0.520   9.039
  531    H    ALA  72           HN       ALA  72   1.763   0.836   6.711
  532    HA   ALA  72           HA       ALA  72   3.736  -0.906   5.613
  533    HB1  ALA  72           HB1      ALA  72   1.541   0.610   4.216
  534    HB2  ALA  72           HB2      ALA  72   1.396  -1.004   4.913
  535    HB3  ALA  72           HB3      ALA  72   2.477  -0.726   3.547
  536    H    THR  73           HN       THR  73   3.078   2.567   5.415
  537    HA   THR  73           HA       THR  73   4.761   3.014   3.283
  538    HB   THR  73           HB       THR  73   4.796   5.434   4.226
  539    HG1  THR  73           HG1      THR  73   2.504   4.545   5.564
  540   HG21  THR  73          HG21      THR  73   2.238   4.101   3.332
  541   HG22  THR  73          HG22      THR  73   3.504   4.730   2.275
  542   HG23  THR  73          HG23      THR  73   2.565   5.833   3.284
  543    H    LYS  74           HN       LYS  74   5.516   2.570   6.598
  544    HA   LYS  74           HA       LYS  74   8.030   3.867   6.545
  545    HB2  LYS  74           HB2      LYS  74   6.918   3.401   8.660
  546    HB3  LYS  74           HB1      LYS  74   6.997   1.674   8.350
  547    HG2  LYS  74           HG2      LYS  74   9.415   1.728   8.511
  548    HG3  LYS  74           HG1      LYS  74   9.380   3.477   8.727
  549    HD2  LYS  74           HD2      LYS  74   8.162   3.216  10.815
  550    HD3  LYS  74           HD1      LYS  74   8.104   1.468  10.576
  551    HE2  LYS  74           HE2      LYS  74   9.858   2.118  12.161
  552    HE3  LYS  74           HE1      LYS  74  10.517   1.337  10.727
  553    HZ1  LYS  74           HZ1      LYS  74  10.453   4.292  11.144
  554    HZ2  LYS  74           HZ2      LYS  74  11.235   3.448   9.888
  555    HZ3  LYS  74           HZ3      LYS  74  11.773   3.295  11.450
  556    H    TYR  75           HN       TYR  75   6.957   0.595   5.853
  557    HA   TYR  75           HA       TYR  75   9.552  -0.533   5.541
  558    HB2  TYR  75           HB2      TYR  75   7.531  -1.916   5.925
  559    HB3  TYR  75           HB1      TYR  75   6.907  -1.435   4.353
  560    HD1  TYR  75           HD1      TYR  75   9.508  -3.368   6.083
  561    HD2  TYR  75           HD2      TYR  75   7.694  -2.485   2.340
  562    HE1  TYR  75           HE1      TYR  75  10.703  -5.250   5.066
  563    HE2  TYR  75           HE2      TYR  75   8.873  -4.359   1.307
  564    HH   TYR  75           HH       TYR  75  10.333  -6.769   3.093
  565    H    ILE  76           HN       ILE  76   7.326   1.062   3.445
  566    HA   ILE  76           HA       ILE  76   8.659   0.640   0.973
  567    HB   ILE  76           HB       ILE  76   6.805   2.888   1.829
  568   HG12  ILE  76          HG12      ILE  76   6.179   0.333   0.334
  569   HG13  ILE  76          HG11      ILE  76   5.882   0.576   2.051
  570   HG21  ILE  76          HG21      ILE  76   6.388   3.180  -0.585
  571   HG22  ILE  76          HG22      ILE  76   7.605   1.951  -0.939
  572   HG23  ILE  76          HG23      ILE  76   8.079   3.468  -0.173
  573   HD11  ILE  76          HD11      ILE  76   3.861   0.865   0.749
  574   HD12  ILE  76          HD12      ILE  76   4.651   2.137  -0.195
  575   HD13  ILE  76          HD13      ILE  76   4.352   2.371   1.529
  576    H    LEU  77           HN       LEU  77   8.483   3.483   3.141
  577    HA   LEU  77           HA       LEU  77  10.369   5.063   1.850
  578    HB2  LEU  77           HB2      LEU  77   8.698   5.859   3.449
  579    HB3  LEU  77           HB1      LEU  77   9.598   5.020   4.700
  580    HG   LEU  77           HG       LEU  77  11.491   6.556   4.406
  581   HD11  LEU  77          HD11      LEU  77  11.217   7.070   2.047
  582   HD12  LEU  77          HD12      LEU  77  11.276   8.547   3.006
  583   HD13  LEU  77          HD13      LEU  77   9.731   7.956   2.395
  584   HD21  LEU  77          HD21      LEU  77  10.444   8.572   5.303
  585   HD22  LEU  77          HD22      LEU  77   9.780   7.116   6.041
  586   HD23  LEU  77          HD23      LEU  77   8.862   7.975   4.805
  587    H    ASP  78           HN       ASP  78  10.711   2.492   4.047
  588    HA   ASP  78           HA       ASP  78  13.306   2.801   5.036
  589    HB2  ASP  78           HB2      ASP  78  11.770   1.090   5.839
  590    HB3  ASP  78           HB1      ASP  78  11.816   0.286   4.280
  591    H    HIS  79           HN       HIS  79  12.173   1.656   1.920
  592    HA   HIS  79           HA       HIS  79  14.935   0.886   1.213
  593    HB2  HIS  79           HB2      HIS  79  12.306   0.138  -0.083
  594    HB3  HIS  79           HB1      HIS  79  13.877  -0.303  -0.725
  595    HD1  HIS  79           HD1      HIS  79  11.660  -0.990   2.338
  596    HD2  HIS  79           HD2      HIS  79  14.957  -2.592   0.342
  597    HE1  HIS  79           HE1      HIS  79  12.058  -3.215   3.358
  598    HE2  HIS  79           HE2      HIS  79  13.786  -4.273   1.920
  599    H    GLN  80           HN       GLN  80  12.107   2.280  -0.428
  600    HA   GLN  80           HA       GLN  80  11.825   3.651  -2.163
  601    HB2  GLN  80           HB2      GLN  80  13.761   5.283  -0.557
  602    HB3  GLN  80           HB1      GLN  80  12.756   5.910  -1.857
  603    HG2  GLN  80           HG2      GLN  80  11.806   4.658   0.690
  604    HG3  GLN  80           HG1      GLN  80  11.813   6.376   0.322
  605   HE21  GLN  80          HE21      GLN  80   9.617   6.542   0.623
  606   HE22  GLN  80          HE22      GLN  80   8.467   5.898  -0.487
  607    H    ALA  81           HN       ALA  81  13.035   5.444  -3.587
  608    HA   ALA  81           HA       ALA  81  15.544   4.446  -4.611
  609    HB1  ALA  81           HB1      ALA  81  13.108   5.015  -6.315
  610    HB2  ALA  81           HB2      ALA  81  13.825   3.428  -6.042
  611    HB3  ALA  81           HB3      ALA  81  14.723   4.663  -6.926
  612    H28  SXO 101          H28B      SXO 101  -4.814 -11.440   4.588
  613   H28A  SXO 101          H28A      SXO 101  -4.989 -11.646   2.843
  614    H30  SXO 101          H30A      SXO 101  -6.146 -14.007   5.180
  615   H30A  SXO 101          H30C      SXO 101  -4.600 -14.876   5.477
  616   H30B  SXO 101          H30B      SXO 101  -4.788 -13.143   5.918
  617    H31  SXO 101          H31A      SXO 101  -4.822 -13.890   1.863
  618   H31A  SXO 101          H31B      SXO 101  -6.179 -14.404   2.867
  619   H31B  SXO 101          H31C      SXO 101  -4.659 -15.314   2.900
  620    H32  SXO 101          H32A      SXO 101  -2.746 -12.847   4.830
  621   HO33  SXO 101          H33A      SXO 101  -2.029 -14.846   3.185
  622   HN36  SXO 101          H36A      SXO 101  -2.775 -11.048   3.652
  623    H37  SXO 101          H37A      SXO 101  -0.967 -10.041   2.273
  624   H37A  SXO 101          H37B      SXO 101  -1.483 -11.202   1.054
  625    H38  SXO 101          H38B      SXO 101  -3.655 -10.105   0.922
  626   H38A  SXO 101          H38A      SXO 101  -2.319  -9.013   0.482
  627   HN41  SXO 101          H41A      SXO 101  -2.459  -9.408   3.682
  628    H42  SXO 101          H42A      SXO 101  -3.539  -6.746   4.080
  629   H42A  SXO 101          H42B      SXO 101  -4.351  -7.994   4.953
  630    H43  SXO 101          H43B      SXO 101  -2.282  -8.551   6.128
  631   H43A  SXO 101          H43A      SXO 101  -1.403  -7.331   5.170
  632    H2   SXO 101           H2A      SXO 101  -0.797  -4.707   6.128
  633    H2A  SXO 101           H2B      SXO 101  -1.550  -3.277   5.404
  634    H3   SXO 101           H3B      SXO 101  -0.553  -5.789   4.088
  635    H3A  SXO 101           H3A      SXO 101  -1.639  -4.673   3.262
  636    H4   SXO 101           H4A      SXO 101   1.019  -3.891   4.466
  637    H4A  SXO 101           H4B      SXO 101  -0.037  -2.879   3.477
  638    H5   SXO 101           H5B      SXO 101   1.525  -5.307   2.636
  639    H5A  SXO 101           H5A      SXO 101   0.232  -4.619   1.657
  640    H6   SXO 101           H6A      SXO 101   2.526  -3.871   1.014
  641    H6A  SXO 101           H6B      SXO 101   2.655  -3.080   2.588
  642    H7   SXO 101           H7A      SXO 101   0.704  -1.695   2.062
  643    H7A  SXO 101           H7B      SXO 101   0.577  -2.486   0.480
  644    H8   SXO 101           H8C      SXO 101   2.807  -1.669  -0.087
  645    H8A  SXO 101           H8A      SXO 101   2.923  -0.892   1.491
  646    H8B  SXO 101           H8B      SXO 101   1.725  -0.338   0.322
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1  13.675   9.692  -3.922
    2    H2   ALA   1           HT2      ALA   1  12.908   9.186  -5.341
    3    H3   ALA   1           HT3      ALA   1  14.298   8.375  -4.790
    4    HA   ALA   1           HA       ALA   1  12.285   7.140  -4.307
    5    HB1  ALA   1           HB1      ALA   1  12.657   6.840  -1.903
    6    HB2  ALA   1           HB2      ALA   1  13.595   8.335  -1.860
    7    HB3  ALA   1           HB3      ALA   1  14.185   6.950  -2.777
    8    H    ALA   2           HN       ALA   2  10.297   7.061  -3.174
    9    HA   ALA   2           HA       ALA   2   9.017   9.705  -2.739
   10    HB1  ALA   2           HB1      ALA   2   6.937   8.588  -3.240
   11    HB2  ALA   2           HB2      ALA   2   7.752   7.030  -3.352
   12    HB3  ALA   2           HB3      ALA   2   8.061   8.276  -4.562
   13    H    THR   3           HN       THR   3   8.023  10.194  -1.098
   14    HA   THR   3           HA       THR   3   8.486   8.430   1.151
   15    HB   THR   3           HB       THR   3   8.206  10.538   2.501
   16    HG1  THR   3           HG1      THR   3   8.356  11.663  -0.116
   17   HG21  THR   3          HG21      THR   3  10.495  11.287   2.070
   18   HG22  THR   3          HG22      THR   3  10.490  10.363   0.556
   19   HG23  THR   3          HG23      THR   3  10.367   9.525   2.108
   20    H    GLN   4           HN       GLN   4   6.801   9.443   3.059
   21    HA   GLN   4           HA       GLN   4   4.711   7.760   2.745
   22    HB2  GLN   4           HB2      GLN   4   3.636   8.899   4.661
   23    HB3  GLN   4           HB1      GLN   4   5.320   8.463   4.906
   24    HG2  GLN   4           HG2      GLN   4   5.989  10.767   4.551
   25    HG3  GLN   4           HG1      GLN   4   4.315  11.214   4.211
   26   HE21  GLN   4          HE21      GLN   4   2.860  11.363   5.872
   27   HE22  GLN   4          HE22      GLN   4   3.320  11.317   7.537
   28    H    GLU   5           HN       GLU   5   4.539  11.227   2.023
   29    HA   GLU   5           HA       GLU   5   1.699  11.120   1.636
   30    HB2  GLU   5           HB2      GLU   5   2.989  13.123   2.391
   31    HB3  GLU   5           HB1      GLU   5   3.651  13.250   0.769
   32    HG2  GLU   5           HG2      GLU   5   1.838  14.807   1.111
   33    HG3  GLU   5           HG1      GLU   5   1.419  13.605  -0.113
   34    H    GLU   6           HN       GLU   6   4.457  10.639  -0.310
   35    HA   GLU   6           HA       GLU   6   3.091  10.888  -2.854
   36    HB2  GLU   6           HB2      GLU   6   5.794   9.745  -2.146
   37    HB3  GLU   6           HB1      GLU   6   5.234  10.168  -3.761
   38    HG2  GLU   6           HG2      GLU   6   5.248  12.480  -3.246
   39    HG3  GLU   6           HG1      GLU   6   5.510  12.157  -1.530
   40    H    ILE   7           HN       ILE   7   4.224   8.486  -0.623
   41    HA   ILE   7           HA       ILE   7   3.810   6.210  -2.158
   42    HB   ILE   7           HB       ILE   7   3.967   6.558   0.830
   43   HG12  ILE   7          HG12      ILE   7   6.040   7.076  -0.314
   44   HG13  ILE   7          HG11      ILE   7   6.224   5.555   0.547
   45   HG21  ILE   7          HG21      ILE   7   2.690   4.543   0.398
   46   HG22  ILE   7          HG22      ILE   7   4.294   4.131   1.005
   47   HG23  ILE   7          HG23      ILE   7   3.933   3.967  -0.712
   48   HD11  ILE   7          HD11      ILE   7   5.757   5.867  -2.419
   49   HD12  ILE   7          HD12      ILE   7   5.949   4.338  -1.565
   50   HD13  ILE   7          HD13      ILE   7   7.287   5.471  -1.645
   51    H    VAL   8           HN       VAL   8   1.800   7.510   0.563
   52    HA   VAL   8           HA       VAL   8  -0.247   5.616   0.362
   53    HB   VAL   8           HB       VAL   8  -0.449   8.492   1.346
   54   HG11  VAL   8          HG11      VAL   8  -2.647   7.589   0.791
   55   HG12  VAL   8          HG12      VAL   8  -2.460   7.758   2.536
   56   HG13  VAL   8          HG13      VAL   8  -2.324   6.169   1.782
   57   HG21  VAL   8          HG21      VAL   8  -0.281   7.517   3.570
   58   HG22  VAL   8          HG22      VAL   8   1.148   7.118   2.606
   59   HG23  VAL   8          HG23      VAL   8  -0.122   5.915   2.858
   60    H    ALA   9           HN       ALA   9  -0.074   8.841  -1.100
   61    HA   ALA   9           HA       ALA   9  -2.429   8.856  -2.527
   62    HB1  ALA   9           HB1      ALA   9  -1.354  10.459  -4.021
   63    HB2  ALA   9           HB2      ALA   9   0.225   9.978  -3.403
   64    HB3  ALA   9           HB3      ALA   9  -0.928  10.785  -2.338
   65    H    GLY  10           HN       GLY  10   0.710   7.501  -3.470
   66    HA2  GLY  10           HA2      GLY  10  -0.061   6.744  -6.094
   67    HA3  GLY  10           HA1      GLY  10   1.341   6.130  -5.222
   68    H    LEU  11           HN       LEU  11   0.024   5.078  -3.001
   69    HA   LEU  11           HA       LEU  11  -0.741   2.512  -3.804
   70    HB2  LEU  11           HB2      LEU  11  -1.374   4.021  -1.270
   71    HB3  LEU  11           HB1      LEU  11  -1.704   2.323  -1.498
   72    HG   LEU  11           HG       LEU  11   1.050   3.556  -1.542
   73   HD11  LEU  11          HD11      LEU  11   1.315   2.514   0.661
   74   HD12  LEU  11          HD12      LEU  11  -0.370   1.990   0.615
   75   HD13  LEU  11          HD13      LEU  11   0.018   3.711   0.671
   76   HD21  LEU  11          HD21      LEU  11   1.815   1.236  -1.398
   77   HD22  LEU  11          HD22      LEU  11   0.848   1.487  -2.853
   78   HD23  LEU  11          HD23      LEU  11   0.144   0.676  -1.458
   79    H    ALA  12           HN       ALA  12  -2.661   5.300  -2.831
   80    HA   ALA  12           HA       ALA  12  -5.144   4.024  -3.199
   81    HB1  ALA  12           HB1      ALA  12  -4.842   5.926  -1.712
   82    HB2  ALA  12           HB2      ALA  12  -6.131   6.166  -2.893
   83    HB3  ALA  12           HB3      ALA  12  -4.569   6.971  -3.118
   84    H    GLU  13           HN       GLU  13  -3.027   5.712  -5.373
   85    HA   GLU  13           HA       GLU  13  -4.818   6.189  -7.499
   86    HB2  GLU  13           HB2      GLU  13  -1.878   5.495  -7.515
   87    HB3  GLU  13           HB1      GLU  13  -2.772   5.906  -8.967
   88    HG2  GLU  13           HG2      GLU  13  -2.560   7.741  -6.602
   89    HG3  GLU  13           HG1      GLU  13  -1.408   7.746  -7.936
   90    H    ILE  14           HN       ILE  14  -2.828   3.344  -6.818
   91    HA   ILE  14           HA       ILE  14  -4.111   1.916  -8.924
   92    HB   ILE  14           HB       ILE  14  -2.393   0.789  -6.667
   93   HG12  ILE  14          HG12      ILE  14  -0.868   0.326  -8.807
   94   HG13  ILE  14          HG11      ILE  14  -1.736   1.707  -9.445
   95   HG21  ILE  14          HG21      ILE  14  -2.245  -1.245  -8.010
   96   HG22  ILE  14          HG22      ILE  14  -3.426  -0.543  -9.138
   97   HG23  ILE  14          HG23      ILE  14  -3.884  -0.874  -7.462
   98   HD11  ILE  14          HD11      ILE  14   0.354   2.420  -8.525
   99   HD12  ILE  14          HD12      ILE  14   0.032   1.610  -7.010
  100   HD13  ILE  14          HD13      ILE  14  -0.936   3.019  -7.476
  101    H    VAL  15           HN       VAL  15  -4.467   1.944  -5.372
  102    HA   VAL  15           HA       VAL  15  -6.437  -0.041  -5.300
  103    HB   VAL  15           HB       VAL  15  -5.867   2.127  -3.226
  104   HG11  VAL  15          HG11      VAL  15  -7.197   0.823  -1.655
  105   HG12  VAL  15          HG12      VAL  15  -7.639  -0.298  -2.945
  106   HG13  VAL  15          HG13      VAL  15  -8.197   1.374  -2.997
  107   HG21  VAL  15          HG21      VAL  15  -5.262  -0.824  -3.286
  108   HG22  VAL  15          HG22      VAL  15  -4.915   0.270  -1.959
  109   HG23  VAL  15          HG23      VAL  15  -4.097   0.480  -3.510
  110    H    ASN  16           HN       ASN  16  -6.757   3.277  -6.185
  111    HA   ASN  16           HA       ASN  16  -9.548   3.510  -5.874
  112    HB2  ASN  16           HB2      ASN  16  -8.259   5.508  -6.261
  113    HB3  ASN  16           HB1      ASN  16  -7.649   4.887  -7.788
  114   HD21  ASN  16          HD21      ASN  16 -10.426   6.266  -6.148
  115   HD22  ASN  16          HD22      ASN  16 -11.274   6.658  -7.607
  116    H    GLU  17           HN       GLU  17  -7.588   2.186  -8.449
  117    HA   GLU  17           HA       GLU  17  -9.819   1.790 -10.210
  118    HB2  GLU  17           HB2      GLU  17  -7.511   2.100 -11.044
  119    HB3  GLU  17           HB1      GLU  17  -7.031   0.606 -10.257
  120    HG2  GLU  17           HG2      GLU  17  -8.540  -0.645 -11.721
  121    HG3  GLU  17           HG1      GLU  17  -9.014   0.858 -12.509
  122    H    ILE  18           HN       ILE  18  -8.144  -0.010  -7.786
  123    HA   ILE  18           HA       ILE  18  -9.310  -2.567  -8.429
  124    HB   ILE  18           HB       ILE  18  -7.635  -1.618  -6.098
  125   HG12  ILE  18          HG12      ILE  18  -6.967  -3.289  -8.527
  126   HG13  ILE  18          HG11      ILE  18  -6.489  -1.619  -8.246
  127   HG21  ILE  18          HG21      ILE  18  -7.288  -3.973  -5.529
  128   HG22  ILE  18          HG22      ILE  18  -8.468  -4.439  -6.753
  129   HG23  ILE  18          HG23      ILE  18  -8.979  -3.498  -5.348
  130   HD11  ILE  18          HD11      ILE  18  -5.623  -3.999  -6.624
  131   HD12  ILE  18          HD12      ILE  18  -5.138  -2.323  -6.354
  132   HD13  ILE  18          HD13      ILE  18  -4.656  -3.153  -7.836
  133    H    ALA  19           HN       ALA  19  -9.655  -0.326  -5.655
  134    HA   ALA  19           HA       ALA  19 -11.950  -1.886  -4.732
  135    HB1  ALA  19           HB1      ALA  19 -10.369   0.232  -3.298
  136    HB2  ALA  19           HB2      ALA  19 -10.139  -1.510  -3.142
  137    HB3  ALA  19           HB3      ALA  19 -11.645  -0.766  -2.605
  138    H    GLY  20           HN       GLY  20 -11.075   1.262  -5.917
  139    HA2  GLY  20           HA2      GLY  20 -12.516   2.893  -6.740
  140    HA3  GLY  20           HA1      GLY  20 -13.879   1.963  -6.124
  141    H    ILE  21           HN       ILE  21 -11.018   3.277  -4.519
  142    HA   ILE  21           HA       ILE  21 -12.823   4.575  -2.630
  143    HB   ILE  21           HB       ILE  21 -10.746   4.693  -1.138
  144   HG12  ILE  21          HG12      ILE  21  -9.134   2.756  -1.475
  145   HG13  ILE  21          HG11      ILE  21  -9.776   2.598  -3.099
  146   HG21  ILE  21          HG21      ILE  21 -12.595   3.321  -0.608
  147   HG22  ILE  21          HG22      ILE  21 -11.099   2.469  -0.234
  148   HG23  ILE  21          HG23      ILE  21 -12.023   2.040  -1.680
  149   HD11  ILE  21          HD11      ILE  21  -8.311   4.990  -1.984
  150   HD12  ILE  21          HD12      ILE  21  -8.957   4.849  -3.621
  151   HD13  ILE  21          HD13      ILE  21  -7.661   3.779  -3.091
  152    HA   PRO  22           HA       PRO  22 -11.201   8.546  -3.753
  153    HB2  PRO  22           HB2      PRO  22 -11.454   9.416  -0.964
  154    HB3  PRO  22           HB1      PRO  22 -12.406   9.919  -2.364
  155    HG2  PRO  22           HG2      PRO  22 -13.460   8.426  -0.387
  156    HG3  PRO  22           HG1      PRO  22 -13.958   8.234  -2.080
  157    HD2  PRO  22           HD2      PRO  22 -12.008   6.607  -0.488
  158    HD3  PRO  22           HD1      PRO  22 -13.311   6.048  -1.557
  159    H    VAL  23           HN       VAL  23  -9.176   9.355  -3.828
  160    HA   VAL  23           HA       VAL  23  -7.090   7.945  -2.502
  161    HB   VAL  23           HB       VAL  23  -5.512   9.459  -3.604
  162   HG11  VAL  23          HG11      VAL  23  -6.397   7.574  -4.863
  163   HG12  VAL  23          HG12      VAL  23  -6.120   8.956  -5.928
  164   HG13  VAL  23          HG13      VAL  23  -7.755   8.559  -5.406
  165   HG21  VAL  23          HG21      VAL  23  -6.353  11.272  -5.074
  166   HG22  VAL  23          HG22      VAL  23  -6.744  11.528  -3.363
  167   HG23  VAL  23          HG23      VAL  23  -7.986  10.950  -4.459
  168    H    GLU  24           HN       GLU  24  -8.841  10.752  -1.671
  169    HA   GLU  24           HA       GLU  24  -6.828  11.533   0.269
  170    HB2  GLU  24           HB2      GLU  24  -8.351  13.443   0.779
  171    HB3  GLU  24           HB1      GLU  24  -7.789  13.400  -0.878
  172    HG2  GLU  24           HG2      GLU  24 -10.461  12.288  -0.093
  173    HG3  GLU  24           HG1      GLU  24 -10.235  14.001  -0.437
  174    H    ASP  25           HN       ASP  25  -9.296   9.361   0.122
  175    HA   ASP  25           HA       ASP  25 -10.264   9.749   2.823
  176    HB2  ASP  25           HB2      ASP  25 -11.647   8.752   0.963
  177    HB3  ASP  25           HB1      ASP  25 -10.603   7.351   1.028
  178    H    VAL  26           HN       VAL  26  -8.026   7.878   1.051
  179    HA   VAL  26           HA       VAL  26  -7.233   6.168   3.228
  180    HB   VAL  26           HB       VAL  26  -5.849   6.663   0.576
  181   HG11  VAL  26          HG11      VAL  26  -4.846   4.453   0.955
  182   HG12  VAL  26          HG12      VAL  26  -5.656   4.360   2.518
  183   HG13  VAL  26          HG13      VAL  26  -4.424   5.590   2.236
  184   HG21  VAL  26          HG21      VAL  26  -8.138   5.923   0.193
  185   HG22  VAL  26          HG22      VAL  26  -7.893   4.554   1.281
  186   HG23  VAL  26          HG23      VAL  26  -6.991   4.652  -0.229
  187    H    LYS  27           HN       LYS  27  -6.729   7.681   4.790
  188    HA   LYS  27           HA       LYS  27  -4.214   9.095   4.345
  189    HB2  LYS  27           HB2      LYS  27  -6.078   9.183   6.738
  190    HB3  LYS  27           HB1      LYS  27  -4.620  10.145   6.544
  191    HG2  LYS  27           HG2      LYS  27  -5.635  11.198   4.537
  192    HG3  LYS  27           HG1      LYS  27  -7.123  10.311   4.876
  193    HD2  LYS  27           HD2      LYS  27  -5.795  12.357   6.651
  194    HD3  LYS  27           HD1      LYS  27  -7.288  12.570   5.731
  195    HE2  LYS  27           HE2      LYS  27  -8.314  10.765   7.061
  196    HE3  LYS  27           HE1      LYS  27  -6.825  10.643   7.997
  197    HZ1  LYS  27           HZ1      LYS  27  -7.144  12.982   8.630
  198    HZ2  LYS  27           HZ2      LYS  27  -8.380  11.978   9.187
  199    HZ3  LYS  27           HZ3      LYS  27  -8.642  12.977   7.835
  200    H    LEU  28           HN       LEU  28  -3.002   8.883   6.816
  201    HA   LEU  28           HA       LEU  28  -1.814   6.377   6.295
  202    HB2  LEU  28           HB2      LEU  28  -1.224   8.344   8.467
  203    HB3  LEU  28           HB1      LEU  28  -0.308   6.872   8.197
  204    HG   LEU  28           HG       LEU  28  -0.138   7.853   5.761
  205   HD11  LEU  28          HD11      LEU  28   0.188  10.267   5.764
  206   HD12  LEU  28          HD12      LEU  28  -0.454  10.341   7.404
  207   HD13  LEU  28          HD13      LEU  28  -1.483   9.797   6.078
  208   HD21  LEU  28          HD21      LEU  28   1.564   8.736   8.071
  209   HD22  LEU  28          HD22      LEU  28   2.025   8.760   6.353
  210   HD23  LEU  28          HD23      LEU  28   1.655   7.226   7.157
  211    H    ASP  29           HN       ASP  29  -4.314   7.151   8.492
  212    HA   ASP  29           HA       ASP  29  -3.718   4.860  10.178
  213    HB2  ASP  29           HB2      ASP  29  -5.637   5.471  11.498
  214    HB3  ASP  29           HB1      ASP  29  -4.737   6.938  11.136
  215    H    LYS  30           HN       LYS  30  -4.953   5.109   7.194
  216    HA   LYS  30           HA       LYS  30  -7.212   3.327   7.406
  217    HB2  LYS  30           HB2      LYS  30  -5.763   4.553   5.060
  218    HB3  LYS  30           HB1      LYS  30  -7.045   3.374   4.874
  219    HG2  LYS  30           HG2      LYS  30  -7.549   5.769   6.548
  220    HG3  LYS  30           HG1      LYS  30  -7.560   5.920   4.784
  221    HD2  LYS  30           HD2      LYS  30  -9.248   4.249   4.592
  222    HD3  LYS  30           HD1      LYS  30  -9.132   3.861   6.305
  223    HE2  LYS  30           HE2      LYS  30  -9.931   6.562   5.289
  224    HE3  LYS  30           HE1      LYS  30 -11.103   5.273   5.591
  225    HZ1  LYS  30           HZ1      LYS  30 -10.928   6.681   7.538
  226    HZ2  LYS  30           HZ2      LYS  30  -9.268   6.512   7.558
  227    HZ3  LYS  30           HZ3      LYS  30 -10.266   5.164   7.867
  228    H    SER  31           HN       SER  31  -7.207   1.191   7.269
  229    HA   SER  31           HA       SER  31  -4.825  -0.151   6.255
  230    HB2  SER  31           HB2      SER  31  -5.165  -0.754   8.489
  231    HB3  SER  31           HB1      SER  31  -6.918  -1.026   8.290
  232    HG   SER  31           HG       SER  31  -4.681  -2.543   7.498
  233    H    PHE  32           HN       PHE  32  -5.240  -2.056   4.886
  234    HA   PHE  32           HA       PHE  32  -6.945  -1.174   2.802
  235    HB2  PHE  32           HB2      PHE  32  -5.271  -3.657   3.064
  236    HB3  PHE  32           HB1      PHE  32  -6.160  -3.209   1.610
  237    HD1  PHE  32           HD2      PHE  32  -5.518  -1.238   0.315
  238    HD2  PHE  32           HD1      PHE  32  -3.241  -2.521   3.673
  239    HE1  PHE  32           HE2      PHE  32  -3.631   0.148  -0.440
  240    HE2  PHE  32           HE1      PHE  32  -1.353  -1.135   2.922
  241    HZ   PHE  32           HZ       PHE  32  -1.544   0.197   0.868
  242    H    THR  33           HN       THR  33  -7.108  -4.183   4.720
  243    HA   THR  33           HA       THR  33  -9.920  -3.989   4.143
  244    HB   THR  33           HB       THR  33  -9.171  -5.699   2.649
  245    HG1  THR  33           HG1      THR  33 -11.048  -6.069   4.214
  246   HG21  THR  33          HG21      THR  33  -7.911  -7.099   5.010
  247   HG22  THR  33          HG22      THR  33  -7.057  -6.320   3.677
  248   HG23  THR  33          HG23      THR  33  -8.028  -7.764   3.380
  249    H    ASP  34           HN       ASP  34  -9.913  -2.933   6.025
  250    HA   ASP  34           HA       ASP  34 -10.552  -4.368   8.364
  251    HB2  ASP  34           HB2      ASP  34  -8.093  -4.617   8.554
  252    HB3  ASP  34           HB1      ASP  34  -7.904  -2.881   8.385
  253    H    ASP  35           HN       ASP  35  -9.252  -1.403   7.027
  254    HA   ASP  35           HA       ASP  35 -11.308   0.140   8.490
  255    HB2  ASP  35           HB2      ASP  35  -8.733   0.750   8.461
  256    HB3  ASP  35           HB1      ASP  35  -9.098   1.385   6.878
  257    H    LEU  36           HN       LEU  36  -9.770  -0.355   5.355
  258    HA   LEU  36           HA       LEU  36 -11.870   1.025   3.922
  259    HB2  LEU  36           HB2      LEU  36  -9.369  -0.401   3.019
  260    HB3  LEU  36           HB1      LEU  36 -10.461   0.480   1.974
  261    HG   LEU  36           HG       LEU  36  -8.967   1.780   4.242
  262   HD11  LEU  36          HD11      LEU  36  -8.276   1.644   1.295
  263   HD12  LEU  36          HD12      LEU  36  -7.381   0.853   2.592
  264   HD13  LEU  36          HD13      LEU  36  -7.435   2.613   2.502
  265   HD21  LEU  36          HD21      LEU  36 -10.380   2.833   1.810
  266   HD22  LEU  36          HD22      LEU  36  -9.535   3.802   3.036
  267   HD23  LEU  36          HD23      LEU  36 -10.982   2.873   3.470
  268    H    ASP  37           HN       ASP  37 -12.504  -0.192   1.835
  269    HA   ASP  37           HA       ASP  37 -13.461  -2.877   2.557
  270    HB2  ASP  37           HB2      ASP  37 -15.298  -2.437   0.950
  271    HB3  ASP  37           HB1      ASP  37 -15.262  -1.244   2.236
  272    H    VAL  38           HN       VAL  38 -10.893  -2.243   1.472
  273    HA   VAL  38           HA       VAL  38 -10.838  -2.818  -1.356
  274    HB   VAL  38           HB       VAL  38  -8.587  -2.869   0.674
  275   HG11  VAL  38          HG11      VAL  38  -7.121  -2.486  -1.257
  276   HG12  VAL  38          HG12      VAL  38  -8.515  -2.589  -2.331
  277   HG13  VAL  38          HG13      VAL  38  -8.014  -4.000  -1.398
  278   HG21  VAL  38          HG21      VAL  38  -8.086  -0.579  -0.049
  279   HG22  VAL  38          HG22      VAL  38  -9.678  -0.700   0.701
  280   HG23  VAL  38          HG23      VAL  38  -9.536  -0.586  -1.051
  281    H    ASP  39           HN       ASP  39 -11.199  -4.825  -2.059
  282    HA   ASP  39           HA       ASP  39 -11.238  -7.212  -0.611
  283    HB2  ASP  39           HB2      ASP  39 -10.523  -6.832  -3.537
  284    HB3  ASP  39           HB1      ASP  39 -10.808  -8.394  -2.796
  285    H    SER  40           HN       SER  40  -9.728  -8.589   0.084
  286    HA   SER  40           HA       SER  40  -7.136  -7.549   0.481
  287    HB2  SER  40           HB2      SER  40  -6.782  -9.673   1.668
  288    HB3  SER  40           HB1      SER  40  -8.308  -8.845   2.069
  289    H    LEU  41           HN       LEU  41  -8.297 -10.351  -1.345
  290    HA   LEU  41           HA       LEU  41  -5.832 -11.107  -2.363
  291    HB2  LEU  41           HB2      LEU  41  -8.587 -11.523  -3.520
  292    HB3  LEU  41           HB1      LEU  41  -7.164 -12.128  -4.328
  293    HG   LEU  41           HG       LEU  41  -6.684 -13.492  -2.256
  294   HD11  LEU  41          HD11      LEU  41  -8.535 -13.958  -0.739
  295   HD12  LEU  41          HD12      LEU  41  -9.485 -12.687  -1.512
  296   HD13  LEU  41          HD13      LEU  41  -8.007 -12.280  -0.638
  297   HD21  LEU  41          HD21      LEU  41  -7.635 -14.480  -4.246
  298   HD22  LEU  41          HD22      LEU  41  -9.255 -14.019  -3.728
  299   HD23  LEU  41          HD23      LEU  41  -8.337 -15.208  -2.802
  300    H    SER  42           HN       SER  42  -7.975  -8.588  -3.260
  301    HA   SER  42           HA       SER  42  -6.804  -8.049  -5.815
  302    HB2  SER  42           HB2      SER  42  -8.703  -6.536  -4.079
  303    HB3  SER  42           HB1      SER  42  -8.386  -6.158  -5.787
  304    HG   SER  42           HG       SER  42  -9.024  -8.718  -5.721
  305    H    MET  43           HN       MET  43  -6.331  -7.042  -2.501
  306    HA   MET  43           HA       MET  43  -4.828  -4.645  -3.004
  307    HB2  MET  43           HB2      MET  43  -5.980  -5.345  -0.827
  308    HB3  MET  43           HB1      MET  43  -4.666  -6.482  -0.599
  309    HG2  MET  43           HG2      MET  43  -4.270  -3.523  -0.889
  310    HG3  MET  43           HG1      MET  43  -4.543  -4.303   0.655
  311    HE1  MET  43           HE1      MET  43  -2.786  -6.041   1.739
  312    HE2  MET  43           HE2      MET  43  -1.262  -6.480   0.991
  313    HE3  MET  43           HE3      MET  43  -2.781  -7.022   0.273
  314    H    VAL  44           HN       VAL  44  -4.185  -7.959  -2.972
  315    HA   VAL  44           HA       VAL  44  -1.355  -7.940  -2.854
  316    HB   VAL  44           HB       VAL  44  -3.041  -9.842  -4.506
  317   HG11  VAL  44          HG11      VAL  44  -0.336 -10.219  -3.227
  318   HG12  VAL  44          HG12      VAL  44  -0.662 -10.044  -4.952
  319   HG13  VAL  44          HG13      VAL  44  -1.250 -11.462  -4.082
  320   HG21  VAL  44          HG21      VAL  44  -3.116 -11.268  -2.501
  321   HG22  VAL  44          HG22      VAL  44  -3.944  -9.730  -2.287
  322   HG23  VAL  44          HG23      VAL  44  -2.356  -9.975  -1.570
  323    H    GLU  45           HN       GLU  45  -3.616  -7.150  -5.312
  324    HA   GLU  45           HA       GLU  45  -1.748  -7.117  -7.452
  325    HB2  GLU  45           HB2      GLU  45  -4.538  -6.026  -7.283
  326    HB3  GLU  45           HB1      GLU  45  -3.593  -6.243  -8.754
  327    HG2  GLU  45           HG2      GLU  45  -3.508  -8.648  -8.334
  328    HG3  GLU  45           HG1      GLU  45  -4.495  -8.414  -6.891
  329    H    VAL  46           HN       VAL  46  -2.758  -4.868  -4.986
  330    HA   VAL  46           HA       VAL  46  -1.660  -2.691  -6.523
  331    HB   VAL  46           HB       VAL  46  -3.646  -2.171  -5.064
  332   HG11  VAL  46          HG11      VAL  46  -3.203  -3.565  -3.175
  333   HG12  VAL  46          HG12      VAL  46  -3.396  -1.878  -2.690
  334   HG13  VAL  46          HG13      VAL  46  -1.785  -2.599  -2.766
  335   HG21  VAL  46          HG21      VAL  46  -2.784  -0.081  -4.123
  336   HG22  VAL  46          HG22      VAL  46  -2.166  -0.376  -5.749
  337   HG23  VAL  46          HG23      VAL  46  -1.136  -0.671  -4.346
  338    H    VAL  47           HN       VAL  47  -0.783  -4.740  -3.832
  339    HA   VAL  47           HA       VAL  47   1.518  -3.230  -3.236
  340    HB   VAL  47           HB       VAL  47   0.652  -4.822  -1.565
  341   HG11  VAL  47          HG11      VAL  47  -0.010  -6.660  -2.980
  342   HG12  VAL  47          HG12      VAL  47   1.085  -7.216  -1.714
  343   HG13  VAL  47          HG13      VAL  47   1.676  -7.000  -3.363
  344   HG21  VAL  47          HG21      VAL  47   2.936  -4.081  -1.346
  345   HG22  VAL  47          HG22      VAL  47   3.490  -5.391  -2.386
  346   HG23  VAL  47          HG23      VAL  47   2.794  -5.755  -0.804
  347    H    VAL  48           HN       VAL  48   1.083  -5.958  -5.454
  348    HA   VAL  48           HA       VAL  48   3.803  -6.081  -6.180
  349    HB   VAL  48           HB       VAL  48   2.227  -7.920  -6.733
  350   HG11  VAL  48          HG11      VAL  48   0.717  -7.770  -8.656
  351   HG12  VAL  48          HG12      VAL  48   1.078  -6.047  -8.787
  352   HG13  VAL  48          HG13      VAL  48   0.264  -6.670  -7.354
  353   HG21  VAL  48          HG21      VAL  48   3.572  -6.738  -9.156
  354   HG22  VAL  48          HG22      VAL  48   3.023  -8.409  -9.006
  355   HG23  VAL  48          HG23      VAL  48   4.309  -7.808  -7.964
  356    H    ALA  49           HN       ALA  49   1.165  -4.072  -7.257
  357    HA   ALA  49           HA       ALA  49   2.590  -2.899  -9.436
  358    HB1  ALA  49           HB1      ALA  49   0.128  -1.913  -7.990
  359    HB2  ALA  49           HB2      ALA  49   0.138  -2.969  -9.404
  360    HB3  ALA  49           HB3      ALA  49   0.734  -1.314  -9.532
  361    H    ALA  50           HN       ALA  50   2.303  -2.299  -6.042
  362    HA   ALA  50           HA       ALA  50   3.270   0.338  -6.105
  363    HB1  ALA  50           HB1      ALA  50   3.575   0.088  -3.687
  364    HB2  ALA  50           HB2      ALA  50   3.321  -1.653  -3.831
  365    HB3  ALA  50           HB3      ALA  50   2.008  -0.536  -4.198
  366    H    GLU  51           HN       GLU  51   4.760  -2.818  -5.899
  367    HA   GLU  51           HA       GLU  51   7.355  -2.085  -5.195
  368    HB2  GLU  51           HB2      GLU  51   6.566  -4.326  -7.069
  369    HB3  GLU  51           HB1      GLU  51   8.092  -4.153  -6.211
  370    HG2  GLU  51           HG2      GLU  51   6.894  -4.334  -4.084
  371    HG3  GLU  51           HG1      GLU  51   5.402  -4.594  -4.974
  372    H    GLU  52           HN       GLU  52   5.826  -2.214  -8.341
  373    HA   GLU  52           HA       GLU  52   8.206  -1.283  -9.682
  374    HB2  GLU  52           HB2      GLU  52   6.719  -1.242 -11.700
  375    HB3  GLU  52           HB1      GLU  52   6.863  -2.808 -10.912
  376    HG2  GLU  52           HG2      GLU  52   4.749  -2.543  -9.866
  377    HG3  GLU  52           HG1      GLU  52   4.570  -0.904 -10.472
  378    H    ARG  53           HN       ARG  53   5.162   0.093  -8.587
  379    HA   ARG  53           HA       ARG  53   5.312   2.507 -10.007
  380    HB2  ARG  53           HB2      ARG  53   3.222   1.668  -9.040
  381    HB3  ARG  53           HB1      ARG  53   3.861   1.895  -7.427
  382    HG2  ARG  53           HG2      ARG  53   2.330   3.664  -7.851
  383    HG3  ARG  53           HG1      ARG  53   3.947   4.358  -7.899
  384    HD2  ARG  53           HD2      ARG  53   2.383   3.534 -10.349
  385    HD3  ARG  53           HD1      ARG  53   2.397   5.168  -9.696
  386    HE   ARG  53           HE       ARG  53   4.806   5.176 -10.130
  387   HH11  ARG  53          HH11      ARG  53   2.764   2.912 -11.954
  388   HH12  ARG  53          HH12      ARG  53   3.801   2.858 -13.309
  389   HH21  ARG  53          HH21      ARG  53   6.228   5.066 -11.970
  390   HH22  ARG  53          HH22      ARG  53   5.852   4.092 -13.306
  391    H    PHE  54           HN       PHE  54   6.173   1.668  -6.675
  392    HA   PHE  54           HA       PHE  54   7.210   4.347  -6.308
  393    HB2  PHE  54           HB2      PHE  54   6.825   2.115  -4.344
  394    HB3  PHE  54           HB1      PHE  54   7.362   3.750  -3.930
  395    HD1  PHE  54           HD2      PHE  54   5.718   5.592  -5.046
  396    HD2  PHE  54           HD1      PHE  54   4.709   1.623  -3.938
  397    HE1  PHE  54           HE2      PHE  54   3.357   6.233  -4.877
  398    HE2  PHE  54           HE1      PHE  54   2.365   2.257  -3.778
  399    HZ   PHE  54           HZ       PHE  54   1.689   4.551  -4.237
  400    H    ASP  55           HN       ASP  55   8.261   1.369  -7.280
  401    HA   ASP  55           HA       ASP  55  10.247   0.501  -7.828
  402    HB2  ASP  55           HB2      ASP  55  11.080   2.736  -8.317
  403    HB3  ASP  55           HB1      ASP  55  11.409   3.006  -6.609
  404    H    VAL  56           HN       VAL  56   9.319   1.105  -4.743
  405    HA   VAL  56           HA       VAL  56  11.419  -0.355  -3.425
  406    HB   VAL  56           HB       VAL  56  10.426   1.470  -2.231
  407   HG11  VAL  56          HG11      VAL  56   8.235   1.561  -3.205
  408   HG12  VAL  56          HG12      VAL  56   8.073   1.442  -1.449
  409   HG13  VAL  56          HG13      VAL  56   7.791   0.027  -2.464
  410   HG21  VAL  56          HG21      VAL  56   9.783   0.372  -0.115
  411   HG22  VAL  56          HG22      VAL  56  11.205  -0.360  -0.858
  412   HG23  VAL  56          HG23      VAL  56   9.635  -1.158  -0.981
  413    H    LYS  57           HN       LYS  57  11.516  -2.381  -3.637
  414    HA   LYS  57           HA       LYS  57   9.259  -4.023  -4.342
  415    HB2  LYS  57           HB2      LYS  57  12.124  -4.710  -3.670
  416    HB3  LYS  57           HB1      LYS  57  10.926  -5.887  -4.209
  417    HG2  LYS  57           HG2      LYS  57  10.685  -4.784  -6.312
  418    HG3  LYS  57           HG1      LYS  57  11.684  -3.440  -5.777
  419    HD2  LYS  57           HD2      LYS  57  12.633  -6.283  -6.106
  420    HD3  LYS  57           HD1      LYS  57  12.867  -4.997  -7.290
  421    HE2  LYS  57           HE2      LYS  57  13.970  -5.122  -4.486
  422    HE3  LYS  57           HE1      LYS  57  14.877  -5.244  -5.992
  423    HZ1  LYS  57           HZ1      LYS  57  15.181  -3.079  -5.254
  424    HZ2  LYS  57           HZ2      LYS  57  13.618  -2.872  -4.775
  425    HZ3  LYS  57           HZ3      LYS  57  13.979  -2.858  -6.436
  426    H    ILE  58           HN       ILE  58   8.045  -5.225  -3.066
  427    HA   ILE  58           HA       ILE  58   8.522  -5.048  -0.168
  428    HB   ILE  58           HB       ILE  58   5.843  -4.847  -1.594
  429   HG12  ILE  58          HG12      ILE  58   7.318  -2.619  -0.179
  430   HG13  ILE  58          HG11      ILE  58   7.454  -2.891  -1.910
  431   HG21  ILE  58          HG21      ILE  58   5.002  -4.183   0.623
  432   HG22  ILE  58          HG22      ILE  58   6.611  -4.422   1.307
  433   HG23  ILE  58          HG23      ILE  58   5.711  -5.798   0.670
  434   HD11  ILE  58          HD11      ILE  58   4.917  -2.265  -0.418
  435   HD12  ILE  58          HD12      ILE  58   5.077  -2.521  -2.162
  436   HD13  ILE  58          HD13      ILE  58   5.862  -1.142  -1.399
  437    HA   PRO  59           HA       PRO  59   8.294  -9.506  -1.078
  438    HB2  PRO  59           HB2      PRO  59   9.116  -9.611   1.760
  439    HB3  PRO  59           HB1      PRO  59   9.881 -10.332   0.338
  440    HG2  PRO  59           HG2      PRO  59  10.989  -8.243   1.533
  441    HG3  PRO  59           HG1      PRO  59  10.963  -8.358  -0.239
  442    HD2  PRO  59           HD2      PRO  59   9.151  -6.791   1.571
  443    HD3  PRO  59           HD1      PRO  59   9.980  -6.261   0.091
  444    H    ASP  60           HN       ASP  60   6.999 -11.157  -0.454
  445    HA   ASP  60           HA       ASP  60   4.385 -10.751   0.372
  446    HB2  ASP  60           HB2      ASP  60   5.094 -12.695  -0.889
  447    HB3  ASP  60           HB1      ASP  60   6.069 -13.258   0.455
  448    H    ASP  61           HN       ASP  61   7.104 -11.952   2.215
  449    HA   ASP  61           HA       ASP  61   5.764 -12.429   4.657
  450    HB2  ASP  61           HB2      ASP  61   8.672 -12.019   3.995
  451    HB3  ASP  61           HB1      ASP  61   8.143 -12.189   5.663
  452    H    ASP  62           HN       ASP  62   6.945  -9.507   3.258
  453    HA   ASP  62           HA       ASP  62   6.747  -8.119   5.789
  454    HB2  ASP  62           HB2      ASP  62   7.529  -7.131   3.052
  455    HB3  ASP  62           HB1      ASP  62   7.271  -6.046   4.413
  456    H    VAL  63           HN       VAL  63   5.004  -8.389   2.803
  457    HA   VAL  63           HA       VAL  63   3.045  -6.430   3.097
  458    HB   VAL  63           HB       VAL  63   2.643  -9.250   2.022
  459   HG11  VAL  63          HG11      VAL  63   0.820  -8.289   0.690
  460   HG12  VAL  63          HG12      VAL  63   1.064  -6.735   1.493
  461   HG13  VAL  63          HG13      VAL  63   0.521  -8.129   2.421
  462   HG21  VAL  63          HG21      VAL  63   3.455  -6.731   0.574
  463   HG22  VAL  63          HG22      VAL  63   3.098  -8.284  -0.185
  464   HG23  VAL  63          HG23      VAL  63   4.483  -8.129   0.894
  465    H    LYS  64           HN       LYS  64   2.928  -9.805   4.144
  466    HA   LYS  64           HA       LYS  64   0.450  -9.711   5.517
  467    HB2  LYS  64           HB2      LYS  64   2.772 -11.600   5.821
  468    HB3  LYS  64           HB1      LYS  64   1.157 -11.862   6.458
  469    HG2  LYS  64           HG2      LYS  64   0.246 -11.972   4.253
  470    HG3  LYS  64           HG1      LYS  64   1.804 -11.532   3.549
  471    HD2  LYS  64           HD2      LYS  64   2.789 -13.578   4.423
  472    HD3  LYS  64           HD1      LYS  64   1.244 -14.017   5.160
  473    HE2  LYS  64           HE2      LYS  64   0.203 -14.153   3.006
  474    HE3  LYS  64           HE1      LYS  64   1.661 -13.545   2.226
  475    HZ1  LYS  64           HZ1      LYS  64   1.445 -16.144   3.667
  476    HZ2  LYS  64           HZ2      LYS  64   2.817 -15.503   2.873
  477    HZ3  LYS  64           HZ3      LYS  64   1.472 -15.899   1.985
  478    H    ASN  65           HN       ASN  65   3.433  -8.441   6.380
  479    HA   ASN  65           HA       ASN  65   3.111  -8.883   9.251
  480    HB2  ASN  65           HB2      ASN  65   5.318  -9.270   8.120
  481    HB3  ASN  65           HB1      ASN  65   5.374  -7.560   7.740
  482   HD21  ASN  65          HD21      ASN  65   7.205  -7.133   8.908
  483   HD22  ASN  65          HD22      ASN  65   7.282  -7.241  10.618
  484    H    LEU  66           HN       LEU  66   2.057  -6.686   6.977
  485    HA   LEU  66           HA       LEU  66   2.351  -4.440   8.831
  486    HB2  LEU  66           HB2      LEU  66   1.689  -4.409   5.890
  487    HB3  LEU  66           HB1      LEU  66   1.846  -2.998   6.915
  488    HG   LEU  66           HG       LEU  66   4.047  -4.903   6.141
  489   HD11  LEU  66          HD11      LEU  66   3.518  -2.032   5.465
  490   HD12  LEU  66          HD12      LEU  66   3.404  -3.418   4.366
  491   HD13  LEU  66          HD13      LEU  66   4.970  -2.931   5.018
  492   HD21  LEU  66          HD21      LEU  66   4.170  -2.440   7.879
  493   HD22  LEU  66          HD22      LEU  66   5.546  -3.410   7.352
  494   HD23  LEU  66          HD23      LEU  66   4.342  -4.105   8.436
  495    H    LYS  67           HN       LYS  67   0.387  -2.845   8.506
  496    HA   LYS  67           HA       LYS  67  -2.022  -4.318   8.133
  497    HB2  LYS  67           HB2      LYS  67  -3.036  -3.443  10.286
  498    HB3  LYS  67           HB1      LYS  67  -1.883  -4.752  10.412
  499    HG2  LYS  67           HG2      LYS  67  -0.165  -3.014  10.997
  500    HG3  LYS  67           HG1      LYS  67  -1.497  -1.864  11.104
  501    HD2  LYS  67           HD2      LYS  67  -2.612  -3.256  12.773
  502    HD3  LYS  67           HD1      LYS  67  -1.307  -4.436  12.671
  503    HE2  LYS  67           HE2      LYS  67   0.264  -2.676  13.441
  504    HE3  LYS  67           HE1      LYS  67  -1.107  -1.588  13.635
  505    HZ1  LYS  67           HZ1      LYS  67  -2.049  -3.186  15.250
  506    HZ2  LYS  67           HZ2      LYS  67  -0.545  -2.586  15.729
  507    HZ3  LYS  67           HZ3      LYS  67  -0.666  -4.142  15.093
  508    H    THR  68           HN       THR  68  -0.998  -1.001   9.076
  509    HA   THR  68           HA       THR  68  -3.242  -0.121   7.408
  510    HB   THR  68           HB       THR  68  -2.885   2.110   8.378
  511    HG1  THR  68           HG1      THR  68  -0.747   0.832   9.807
  512   HG21  THR  68          HG21      THR  68  -4.356   0.587   9.590
  513   HG22  THR  68          HG22      THR  68  -3.449   1.577  10.740
  514   HG23  THR  68          HG23      THR  68  -2.974  -0.096  10.443
  515    H    VAL  69           HN       VAL  69  -2.654   2.118   6.276
  516    HA   VAL  69           HA       VAL  69  -0.425   1.574   4.569
  517    HB   VAL  69           HB       VAL  69  -0.978   3.684   3.373
  518   HG11  VAL  69          HG11      VAL  69  -2.091   1.639   2.705
  519   HG12  VAL  69          HG12      VAL  69  -3.177   3.018   2.530
  520   HG13  VAL  69          HG13      VAL  69  -3.360   1.919   3.895
  521   HG21  VAL  69          HG21      VAL  69  -1.773   4.993   5.267
  522   HG22  VAL  69          HG22      VAL  69  -3.178   3.932   5.409
  523   HG23  VAL  69          HG23      VAL  69  -2.981   4.941   3.984
  524    H    GLY  70           HN       GLY  70  -0.883   3.122   7.509
  525    HA2  GLY  70           HA2      GLY  70   1.367   4.863   7.415
  526    HA3  GLY  70           HA1      GLY  70   0.525   4.297   8.859
  527    H    ASP  71           HN       ASP  71   0.744   1.524   8.019
  528    HA   ASP  71           HA       ASP  71   3.407   0.949   8.981
  529    HB2  ASP  71           HB2      ASP  71   1.228  -0.892   7.982
  530    HB3  ASP  71           HB1      ASP  71   2.764  -1.452   8.623
  531    H    ALA  72           HN       ALA  72   1.686   0.902   5.986
  532    HA   ALA  72           HA       ALA  72   3.537  -0.499   4.398
  533    HB1  ALA  72           HB1      ALA  72   1.570   1.637   3.568
  534    HB2  ALA  72           HB2      ALA  72   1.223  -0.086   3.701
  535    HB3  ALA  72           HB3      ALA  72   2.369   0.493   2.489
  536    H    THR  73           HN       THR  73   2.998   2.991   4.779
  537    HA   THR  73           HA       THR  73   5.089   3.922   3.264
  538    HB   THR  73           HB       THR  73   4.917   5.898   4.931
  539    HG1  THR  73           HG1      THR  73   2.464   4.788   5.651
  540   HG21  THR  73          HG21      THR  73   2.499   4.954   3.395
  541   HG22  THR  73          HG22      THR  73   3.865   5.858   2.738
  542   HG23  THR  73          HG23      THR  73   2.804   6.608   3.927
  543    H    LYS  74           HN       LYS  74   4.912   3.370   6.724
  544    HA   LYS  74           HA       LYS  74   7.412   3.956   7.614
  545    HB2  LYS  74           HB2      LYS  74   5.582   3.356   9.058
  546    HB3  LYS  74           HB1      LYS  74   5.568   1.724   8.429
  547    HG2  LYS  74           HG2      LYS  74   7.706   1.279   9.488
  548    HG3  LYS  74           HG1      LYS  74   7.781   2.949  10.059
  549    HD2  LYS  74           HD2      LYS  74   6.992   1.423  11.818
  550    HD3  LYS  74           HD1      LYS  74   5.765   2.614  11.381
  551    HE2  LYS  74           HE2      LYS  74   4.696   0.914   9.932
  552    HE3  LYS  74           HE1      LYS  74   5.894  -0.261  10.468
  553    HZ1  LYS  74           HZ1      LYS  74   3.747  -0.384  11.662
  554    HZ2  LYS  74           HZ2      LYS  74   4.033   1.165  12.273
  555    HZ3  LYS  74           HZ3      LYS  74   5.074  -0.100  12.686
  556    H    TYR  75           HN       TYR  75   6.389   0.881   6.116
  557    HA   TYR  75           HA       TYR  75   8.966  -0.321   6.395
  558    HB2  TYR  75           HB2      TYR  75   7.047  -1.787   6.209
  559    HB3  TYR  75           HB1      TYR  75   6.623  -1.098   4.641
  560    HD1  TYR  75           HD1      TYR  75   9.241  -3.065   6.413
  561    HD2  TYR  75           HD2      TYR  75   7.554  -1.955   2.667
  562    HE1  TYR  75           HE1      TYR  75  10.572  -4.803   5.312
  563    HE2  TYR  75           HE2      TYR  75   8.882  -3.690   1.555
  564    HH   TYR  75           HH       TYR  75  11.056  -4.851   2.046
  565    H    ILE  76           HN       ILE  76   7.209   1.093   3.715
  566    HA   ILE  76           HA       ILE  76   9.031   0.714   1.684
  567    HB   ILE  76           HB       ILE  76   6.919   2.764   2.194
  568   HG12  ILE  76          HG12      ILE  76   7.174   0.503   0.211
  569   HG13  ILE  76          HG11      ILE  76   6.337   0.410   1.756
  570   HG21  ILE  76          HG21      ILE  76   7.163   3.547  -0.124
  571   HG22  ILE  76          HG22      ILE  76   8.640   2.580  -0.283
  572   HG23  ILE  76          HG23      ILE  76   8.566   3.910   0.884
  573   HD11  ILE  76          HD11      ILE  76   5.644   2.173  -0.551
  574   HD12  ILE  76          HD12      ILE  76   4.835   2.136   1.016
  575   HD13  ILE  76          HD13      ILE  76   4.777   0.710  -0.039
  576    H    LEU  77           HN       LEU  77   8.653   3.665   3.614
  577    HA   LEU  77           HA       LEU  77  10.857   5.027   2.589
  578    HB2  LEU  77           HB2      LEU  77   9.218   5.233   5.021
  579    HB3  LEU  77           HB1      LEU  77  10.690   6.203   4.967
  580    HG   LEU  77           HG       LEU  77   9.747   7.290   2.901
  581   HD11  LEU  77          HD11      LEU  77   7.370   7.039   2.413
  582   HD12  LEU  77          HD12      LEU  77   7.260   5.763   3.627
  583   HD13  LEU  77          HD13      LEU  77   8.241   5.522   2.180
  584   HD21  LEU  77          HD21      LEU  77   8.059   7.436   5.383
  585   HD22  LEU  77          HD22      LEU  77   8.102   8.645   4.103
  586   HD23  LEU  77          HD23      LEU  77   9.543   8.336   5.077
  587    H    ASP  78           HN       ASP  78  10.735   2.474   4.784
  588    HA   ASP  78           HA       ASP  78  13.376   2.968   5.952
  589    HB2  ASP  78           HB2      ASP  78  11.796   1.774   7.359
  590    HB3  ASP  78           HB1      ASP  78  11.558   0.550   6.116
  591    H    HIS  79           HN       HIS  79  11.900   0.814   3.668
  592    HA   HIS  79           HA       HIS  79  14.277  -0.675   3.093
  593    HB2  HIS  79           HB2      HIS  79  11.834  -1.447   2.962
  594    HB3  HIS  79           HB1      HIS  79  11.766  -0.586   1.433
  595    HD1  HIS  79           HD1      HIS  79  12.242  -2.074  -0.568
  596    HD2  HIS  79           HD2      HIS  79  14.020  -3.468   2.924
  597    HE1  HIS  79           HE1      HIS  79  13.220  -4.274  -1.147
  598    HE2  HIS  79           HE2      HIS  79  13.804  -5.221   1.118
  599    H    GLN  80           HN       GLN  80  12.230   1.497   1.147
  600    HA   GLN  80           HA       GLN  80  12.443   2.420  -0.851
  601    HB2  GLN  80           HB2      GLN  80  15.025   3.366   0.386
  602    HB3  GLN  80           HB1      GLN  80  14.291   4.074  -1.049
  603    HG2  GLN  80           HG2      GLN  80  12.994   3.943   1.669
  604    HG3  GLN  80           HG1      GLN  80  13.834   5.346   1.016
  605   HE21  GLN  80          HE21      GLN  80  11.987   6.594   1.207
  606   HE22  GLN  80          HE22      GLN  80  10.613   6.418   0.155
  607    H    ALA  81           HN       ALA  81  12.487   1.368  -2.562
  608    HA   ALA  81           HA       ALA  81  13.065   0.200  -4.355
  609    HB1  ALA  81           HB1      ALA  81  15.952   0.827  -3.681
  610    HB2  ALA  81           HB2      ALA  81  14.893   1.838  -4.665
  611    HB3  ALA  81           HB3      ALA  81  15.346   0.233  -5.226
  612    H28  SXO 101          H28B      SXO 101  -7.018 -11.493   3.769
  613   H28A  SXO 101          H28A      SXO 101  -6.278 -11.705   2.147
  614    H30  SXO 101          H30A      SXO 101  -4.462 -12.055   3.912
  615   H30A  SXO 101          H30C      SXO 101  -5.523 -12.651   5.187
  616   H30B  SXO 101          H30B      SXO 101  -4.338 -13.728   4.450
  617    H31  SXO 101          H31A      SXO 101  -7.386 -14.090   4.725
  618   H31A  SXO 101          H31B      SXO 101  -6.284 -15.299   4.036
  619   H31B  SXO 101          H31C      SXO 101  -7.647 -14.696   3.085
  620    H32  SXO 101          H32A      SXO 101  -4.605 -14.555   2.196
  621   HO33  SXO 101          H33A      SXO 101  -6.325 -13.965   0.305
  622   HN36  SXO 101          H36A      SXO 101  -3.361 -12.440   2.404
  623    H37  SXO 101          H37A      SXO 101  -2.049 -11.705   0.395
  624   H37A  SXO 101          H37B      SXO 101  -3.544 -10.811   0.028
  625    H38  SXO 101          H38B      SXO 101  -1.699  -9.558   1.201
  626   H38A  SXO 101          H38A      SXO 101  -1.973 -10.549   2.604
  627   HN41  SXO 101          H41A      SXO 101  -2.804  -9.090   3.928
  628    H42  SXO 101          H42A      SXO 101  -4.182  -6.828   3.768
  629   H42A  SXO 101          H42B      SXO 101  -5.457  -7.944   3.419
  630    H43  SXO 101          H43B      SXO 101  -5.572  -7.564   5.688
  631   H43A  SXO 101          H43A      SXO 101  -4.840  -9.168   5.499
  632    H2   SXO 101           H2A      SXO 101  -1.293  -5.847   6.025
  633    H2A  SXO 101           H2B      SXO 101  -2.040  -4.238   6.121
  634    H3   SXO 101           H3B      SXO 101  -1.616  -5.902   3.670
  635    H3A  SXO 101           H3A      SXO 101  -2.484  -4.368   3.710
  636    H4   SXO 101           H4A      SXO 101   0.398  -4.797   4.488
  637    H4A  SXO 101           H4B      SXO 101  -0.472  -3.262   4.567
  638    H5   SXO 101           H5B      SXO 101   0.081  -4.872   2.083
  639    H5A  SXO 101           H5A      SXO 101  -0.865  -3.383   2.145
  640    H6   SXO 101           H6A      SXO 101   2.039  -3.712   2.850
  641    H6A  SXO 101           H6B      SXO 101   1.122  -2.210   3.030
  642    H7   SXO 101           H7A      SXO 101   0.686  -2.214   0.602
  643    H7A  SXO 101           H7B      SXO 101   1.650  -3.699   0.453
  644    H8   SXO 101           H8C      SXO 101   2.616  -1.038   1.486
  645    H8A  SXO 101           H8A      SXO 101   2.958  -1.713  -0.107
  646    H8B  SXO 101           H8B      SXO 101   3.584  -2.505   1.341
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1  14.869   8.590  -2.723
    2    H2   ALA   1           HT2      ALA   1  14.173  10.009  -2.101
    3    H3   ALA   1           HT3      ALA   1  13.856   9.535  -3.694
    4    HA   ALA   1           HA       ALA   1  12.674   7.601  -2.919
    5    HB1  ALA   1           HB1      ALA   1  12.316   7.253  -0.540
    6    HB2  ALA   1           HB2      ALA   1  13.328   8.649  -0.171
    7    HB3  ALA   1           HB3      ALA   1  14.038   7.221  -0.925
    8    H    ALA   2           HN       ALA   2  10.485   7.833  -2.893
    9    HA   ALA   2           HA       ALA   2   9.382  10.495  -2.610
   10    HB1  ALA   2           HB1      ALA   2   8.523   9.009  -4.387
   11    HB2  ALA   2           HB2      ALA   2   7.248   9.405  -3.231
   12    HB3  ALA   2           HB3      ALA   2   8.039   7.828  -3.168
   13    H    THR   3           HN       THR   3   7.979  11.102  -0.875
   14    HA   THR   3           HA       THR   3   8.579   9.386   1.363
   15    HB   THR   3           HB       THR   3   7.711  12.262   1.691
   16    HG1  THR   3           HG1      THR   3   9.817  11.327   0.282
   17   HG21  THR   3          HG21      THR   3   9.613  10.411   3.153
   18   HG22  THR   3          HG22      THR   3   8.085  11.062   3.797
   19   HG23  THR   3          HG23      THR   3   9.449  12.119   3.504
   20    H    GLN   4           HN       GLN   4   6.937   9.829   3.295
   21    HA   GLN   4           HA       GLN   4   5.108   7.931   3.013
   22    HB2  GLN   4           HB2      GLN   4   5.925   8.882   5.116
   23    HB3  GLN   4           HB1      GLN   4   4.870  10.267   4.884
   24    HG2  GLN   4           HG2      GLN   4   2.924   8.820   5.012
   25    HG3  GLN   4           HG1      GLN   4   3.972   7.414   5.195
   26   HE21  GLN   4          HE21      GLN   4   3.180   6.858   7.200
   27   HE22  GLN   4          HE22      GLN   4   3.421   7.842   8.606
   28    H    GLU   5           HN       GLU   5   4.115  11.420   2.809
   29    HA   GLU   5           HA       GLU   5   1.411  10.689   2.356
   30    HB2  GLU   5           HB2      GLU   5   1.047  13.040   1.709
   31    HB3  GLU   5           HB1      GLU   5   1.888  12.886   3.240
   32    HG2  GLU   5           HG2      GLU   5   3.965  13.508   2.231
   33    HG3  GLU   5           HG1      GLU   5   3.256  13.434   0.620
   34    H    GLU   6           HN       GLU   6   4.073  11.352   0.218
   35    HA   GLU   6           HA       GLU   6   2.499  11.422  -2.154
   36    HB2  GLU   6           HB2      GLU   6   4.712  12.578  -1.806
   37    HB3  GLU   6           HB1      GLU   6   5.470  11.001  -1.833
   38    HG2  GLU   6           HG2      GLU   6   4.904  10.675  -4.100
   39    HG3  GLU   6           HG1      GLU   6   3.854  12.098  -4.101
   40    H    ILE   7           HN       ILE   7   4.163   9.045  -0.277
   41    HA   ILE   7           HA       ILE   7   4.041   6.965  -2.100
   42    HB   ILE   7           HB       ILE   7   4.101   6.879   0.927
   43   HG12  ILE   7          HG12      ILE   7   6.108   7.767  -0.122
   44   HG13  ILE   7          HG11      ILE   7   6.439   6.188   0.576
   45   HG21  ILE   7          HG21      ILE   7   3.058   4.812   0.120
   46   HG22  ILE   7          HG22      ILE   7   4.676   4.488   0.744
   47   HG23  ILE   7          HG23      ILE   7   4.398   4.560  -0.996
   48   HD11  ILE   7          HD11      ILE   7   7.482   6.510  -1.625
   49   HD12  ILE   7          HD12      ILE   7   5.878   6.695  -2.334
   50   HD13  ILE   7          HD13      ILE   7   6.347   5.164  -1.594
   51    H    VAL   8           HN       VAL   8   1.927   7.974   0.591
   52    HA   VAL   8           HA       VAL   8  -0.171   6.156   0.415
   53    HB   VAL   8           HB       VAL   8  -0.308   9.110   1.138
   54   HG11  VAL   8          HG11      VAL   8  -2.311   6.919   1.660
   55   HG12  VAL   8          HG12      VAL   8  -2.516   8.265   0.539
   56   HG13  VAL   8          HG13      VAL   8  -2.405   8.569   2.276
   57   HG21  VAL   8          HG21      VAL   8  -0.150   6.651   2.864
   58   HG22  VAL   8          HG22      VAL   8  -0.310   8.310   3.440
   59   HG23  VAL   8          HG23      VAL   8   1.152   7.808   2.587
   60    H    ALA   9           HN       ALA   9   0.216   9.249  -1.263
   61    HA   ALA   9           HA       ALA   9  -2.087   9.319  -2.780
   62    HB1  ALA   9           HB1      ALA   9   0.677  10.186  -3.616
   63    HB2  ALA   9           HB2      ALA   9  -0.458  11.147  -2.669
   64    HB3  ALA   9           HB3      ALA   9  -0.838  10.726  -4.341
   65    H    GLY  10           HN       GLY  10   0.987   7.719  -3.531
   66    HA2  GLY  10           HA2      GLY  10   0.226   6.784  -6.095
   67    HA3  GLY  10           HA1      GLY  10   1.576   6.178  -5.138
   68    H    LEU  11           HN       LEU  11   0.149   5.391  -2.886
   69    HA   LEU  11           HA       LEU  11  -0.615   2.769  -3.472
   70    HB2  LEU  11           HB2      LEU  11  -1.266   4.526  -1.119
   71    HB3  LEU  11           HB1      LEU  11  -1.688   2.832  -1.190
   72    HG   LEU  11           HG       LEU  11   1.134   3.896  -1.318
   73   HD11  LEU  11          HD11      LEU  11   0.094   4.358   0.855
   74   HD12  LEU  11          HD12      LEU  11   1.314   3.091   0.997
   75   HD13  LEU  11          HD13      LEU  11  -0.399   2.669   0.982
   76   HD21  LEU  11          HD21      LEU  11   1.749   1.572  -0.918
   77   HD22  LEU  11          HD22      LEU  11   0.785   1.714  -2.394
   78   HD23  LEU  11          HD23      LEU  11   0.050   1.113  -0.910
   79    H    ALA  12           HN       ALA  12  -2.609   5.578  -2.735
   80    HA   ALA  12           HA       ALA  12  -5.062   4.228  -2.912
   81    HB1  ALA  12           HB1      ALA  12  -6.104   6.339  -2.863
   82    HB2  ALA  12           HB2      ALA  12  -4.579   7.168  -3.233
   83    HB3  ALA  12           HB3      ALA  12  -4.781   6.300  -1.696
   84    H    GLU  13           HN       GLU  13  -3.038   5.523  -5.384
   85    HA   GLU  13           HA       GLU  13  -5.018   5.884  -7.371
   86    HB2  GLU  13           HB2      GLU  13  -2.127   5.092  -7.733
   87    HB3  GLU  13           HB1      GLU  13  -3.197   5.665  -9.003
   88    HG2  GLU  13           HG2      GLU  13  -3.438   7.792  -7.762
   89    HG3  GLU  13           HG1      GLU  13  -2.227   7.206  -6.622
   90    H    ILE  14           HN       ILE  14  -3.002   3.095  -6.621
   91    HA   ILE  14           HA       ILE  14  -4.327   1.521  -8.587
   92    HB   ILE  14           HB       ILE  14  -2.620   0.506  -6.263
   93   HG12  ILE  14          HG12      ILE  14  -0.946   0.022  -8.154
   94   HG13  ILE  14          HG11      ILE  14  -1.908   1.110  -9.138
   95   HG21  ILE  14          HG21      ILE  14  -4.116  -1.180  -7.069
   96   HG22  ILE  14          HG22      ILE  14  -2.455  -1.569  -7.549
   97   HG23  ILE  14          HG23      ILE  14  -3.593  -0.888  -8.726
   98   HD11  ILE  14          HD11      ILE  14  -1.435   2.914  -7.569
   99   HD12  ILE  14          HD12      ILE  14   0.035   2.214  -8.243
  100   HD13  ILE  14          HD13      ILE  14  -0.463   1.809  -6.599
  101    H    VAL  15           HN       VAL  15  -4.769   2.096  -5.162
  102    HA   VAL  15           HA       VAL  15  -6.676   0.031  -4.894
  103    HB   VAL  15           HB       VAL  15  -6.435   2.434  -3.039
  104   HG11  VAL  15          HG11      VAL  15  -7.581  -0.320  -2.572
  105   HG12  VAL  15          HG12      VAL  15  -8.502   1.177  -2.740
  106   HG13  VAL  15          HG13      VAL  15  -7.429   0.953  -1.360
  107   HG21  VAL  15          HG21      VAL  15  -5.085  -0.257  -2.869
  108   HG22  VAL  15          HG22      VAL  15  -5.074   0.975  -1.617
  109   HG23  VAL  15          HG23      VAL  15  -4.279   1.291  -3.164
  110    H    ASN  16           HN       ASN  16  -6.926   3.303  -6.011
  111    HA   ASN  16           HA       ASN  16  -9.774   3.423  -5.944
  112    HB2  ASN  16           HB2      ASN  16  -8.529   5.509  -6.034
  113    HB3  ASN  16           HB1      ASN  16  -7.746   5.027  -7.533
  114   HD21  ASN  16          HD21      ASN  16 -10.737   6.178  -6.090
  115   HD22  ASN  16          HD22      ASN  16 -11.481   6.606  -7.583
  116    H    GLU  17           HN       GLU  17  -7.445   2.144  -8.129
  117    HA   GLU  17           HA       GLU  17  -9.257   1.808 -10.325
  118    HB2  GLU  17           HB2      GLU  17  -6.812   1.997 -10.621
  119    HB3  GLU  17           HB1      GLU  17  -6.592   0.506  -9.723
  120    HG2  GLU  17           HG2      GLU  17  -6.347   0.129 -12.099
  121    HG3  GLU  17           HG1      GLU  17  -7.759  -0.723 -11.479
  122    H    ILE  18           HN       ILE  18  -7.793  -0.350  -7.945
  123    HA   ILE  18           HA       ILE  18  -9.236  -2.658  -8.784
  124    HB   ILE  18           HB       ILE  18  -7.487  -2.083  -6.397
  125   HG12  ILE  18          HG12      ILE  18  -7.117  -3.590  -8.980
  126   HG13  ILE  18          HG11      ILE  18  -6.407  -2.051  -8.501
  127   HG21  ILE  18          HG21      ILE  18  -7.424  -4.478  -5.909
  128   HG22  ILE  18          HG22      ILE  18  -8.653  -4.781  -7.142
  129   HG23  ILE  18          HG23      ILE  18  -9.051  -3.833  -5.702
  130   HD11  ILE  18          HD11      ILE  18  -5.107  -3.184  -6.793
  131   HD12  ILE  18          HD12      ILE  18  -4.809  -3.884  -8.386
  132   HD13  ILE  18          HD13      ILE  18  -5.850  -4.720  -7.235
  133    H    ALA  19           HN       ALA  19  -9.523  -0.635  -5.857
  134    HA   ALA  19           HA       ALA  19 -11.984  -2.074  -5.229
  135    HB1  ALA  19           HB1      ALA  19 -11.819  -1.062  -3.024
  136    HB2  ALA  19           HB2      ALA  19 -10.424  -0.117  -3.551
  137    HB3  ALA  19           HB3      ALA  19 -10.315  -1.877  -3.457
  138    H    GLY  20           HN       GLY  20 -10.772   1.149  -5.814
  139    HA2  GLY  20           HA2      GLY  20 -12.029   2.859  -6.910
  140    HA3  GLY  20           HA1      GLY  20 -13.500   1.972  -6.538
  141    H    ILE  21           HN       ILE  21 -10.888   2.982  -4.418
  142    HA   ILE  21           HA       ILE  21 -12.832   4.113  -2.599
  143    HB   ILE  21           HB       ILE  21 -10.794   4.517  -1.132
  144   HG12  ILE  21          HG12      ILE  21  -8.807   3.025  -1.651
  145   HG13  ILE  21          HG11      ILE  21  -9.448   2.847  -3.270
  146   HG21  ILE  21          HG21      ILE  21 -12.284   2.697  -0.734
  147   HG22  ILE  21          HG22      ILE  21 -10.620   2.196  -0.431
  148   HG23  ILE  21          HG23      ILE  21 -11.437   1.693  -1.915
  149   HD11  ILE  21          HD11      ILE  21  -7.626   4.441  -3.193
  150   HD12  ILE  21          HD12      ILE  21  -8.491   5.407  -1.998
  151   HD13  ILE  21          HD13      ILE  21  -9.129   5.251  -3.634
  152    HA   PRO  22           HA       PRO  22 -11.923   8.379  -3.565
  153    HB2  PRO  22           HB2      PRO  22 -11.941   8.992  -0.683
  154    HB3  PRO  22           HB1      PRO  22 -13.049   9.554  -1.937
  155    HG2  PRO  22           HG2      PRO  22 -13.812   7.802  -0.047
  156    HG3  PRO  22           HG1      PRO  22 -14.454   7.746  -1.699
  157    HD2  PRO  22           HD2      PRO  22 -12.330   6.068  -0.427
  158    HD3  PRO  22           HD1      PRO  22 -13.641   5.583  -1.523
  159    H    VAL  23           HN       VAL  23  -9.975   9.351  -3.817
  160    HA   VAL  23           HA       VAL  23  -7.704   8.069  -2.700
  161    HB   VAL  23           HB       VAL  23  -6.284   9.745  -3.808
  162   HG11  VAL  23          HG11      VAL  23  -8.523   8.714  -5.538
  163   HG12  VAL  23          HG12      VAL  23  -7.057   7.842  -5.091
  164   HG13  VAL  23          HG13      VAL  23  -6.955   9.273  -6.119
  165   HG21  VAL  23          HG21      VAL  23  -7.310  11.523  -5.179
  166   HG22  VAL  23          HG22      VAL  23  -7.671  11.702  -3.453
  167   HG23  VAL  23          HG23      VAL  23  -8.892  11.057  -4.539
  168    H    GLU  24           HN       GLU  24  -9.506  10.832  -1.683
  169    HA   GLU  24           HA       GLU  24  -7.484  11.705   0.192
  170    HB2  GLU  24           HB2      GLU  24  -9.206  13.247   1.027
  171    HB3  GLU  24           HB1      GLU  24  -9.024  13.357  -0.716
  172    HG2  GLU  24           HG2      GLU  24 -11.036  12.236  -1.116
  173    HG3  GLU  24           HG1      GLU  24 -11.128  11.638   0.539
  174    H    ASP  25           HN       ASP  25  -9.614   9.134   0.135
  175    HA   ASP  25           HA       ASP  25 -10.459   9.214   2.883
  176    HB2  ASP  25           HB2      ASP  25 -11.759   8.119   1.055
  177    HB3  ASP  25           HB1      ASP  25 -10.484   6.933   0.918
  178    H    VAL  26           HN       VAL  26  -8.069   7.662   0.947
  179    HA   VAL  26           HA       VAL  26  -7.023   5.921   2.937
  180    HB   VAL  26           HB       VAL  26  -5.723   6.901   0.379
  181   HG11  VAL  26          HG11      VAL  26  -5.127   4.477   2.076
  182   HG12  VAL  26          HG12      VAL  26  -4.116   5.912   1.924
  183   HG13  VAL  26          HG13      VAL  26  -4.369   4.860   0.529
  184   HG21  VAL  26          HG21      VAL  26  -6.542   4.815  -0.604
  185   HG22  VAL  26          HG22      VAL  26  -7.868   5.846  -0.057
  186   HG23  VAL  26          HG23      VAL  26  -7.385   4.445   0.899
  187    H    LYS  27           HN       LYS  27  -6.625   7.177   4.692
  188    HA   LYS  27           HA       LYS  27  -4.190   8.830   4.557
  189    HB2  LYS  27           HB2      LYS  27  -6.441   8.900   6.590
  190    HB3  LYS  27           HB1      LYS  27  -4.950   9.828   6.702
  191    HG2  LYS  27           HG2      LYS  27  -5.537  10.933   4.560
  192    HG3  LYS  27           HG1      LYS  27  -7.077  10.081   4.592
  193    HD2  LYS  27           HD2      LYS  27  -7.648  11.175   6.687
  194    HD3  LYS  27           HD1      LYS  27  -6.085  11.998   6.694
  195    HE2  LYS  27           HE2      LYS  27  -8.254  12.304   4.624
  196    HE3  LYS  27           HE1      LYS  27  -7.843  13.476   5.878
  197    HZ1  LYS  27           HZ1      LYS  27  -6.837  14.099   3.758
  198    HZ2  LYS  27           HZ2      LYS  27  -6.104  12.619   3.618
  199    HZ3  LYS  27           HZ3      LYS  27  -5.602  13.672   4.820
  200    H    LEU  28           HN       LEU  28  -3.072   8.688   6.774
  201    HA   LEU  28           HA       LEU  28  -1.708   6.298   6.647
  202    HB2  LEU  28           HB2      LEU  28  -1.838   8.218   8.949
  203    HB3  LEU  28           HB1      LEU  28  -0.550   7.070   8.619
  204    HG   LEU  28           HG       LEU  28  -1.313   9.336   6.787
  205   HD11  LEU  28          HD11      LEU  28  -0.424  10.183   8.847
  206   HD12  LEU  28          HD12      LEU  28   0.718  10.403   7.518
  207   HD13  LEU  28          HD13      LEU  28   0.986   9.123   8.712
  208   HD21  LEU  28          HD21      LEU  28   1.039   7.452   6.761
  209   HD22  LEU  28          HD22      LEU  28   0.796   8.815   5.671
  210   HD23  LEU  28          HD23      LEU  28  -0.315   7.445   5.631
  211    H    ASP  29           HN       ASP  29  -4.411   7.058   8.705
  212    HA   ASP  29           HA       ASP  29  -4.085   4.804  10.461
  213    HB2  ASP  29           HB2      ASP  29  -6.177   5.475  11.465
  214    HB3  ASP  29           HB1      ASP  29  -5.167   6.890  11.200
  215    H    LYS  30           HN       LYS  30  -5.130   4.941   7.327
  216    HA   LYS  30           HA       LYS  30  -7.322   3.053   7.577
  217    HB2  LYS  30           HB2      LYS  30  -5.967   4.218   5.148
  218    HB3  LYS  30           HB1      LYS  30  -7.376   3.181   5.113
  219    HG2  LYS  30           HG2      LYS  30  -7.320   5.844   6.500
  220    HG3  LYS  30           HG1      LYS  30  -7.794   5.637   4.818
  221    HD2  LYS  30           HD2      LYS  30  -9.580   4.075   5.581
  222    HD3  LYS  30           HD1      LYS  30  -9.134   4.449   7.251
  223    HE2  LYS  30           HE2      LYS  30  -9.656   6.780   6.916
  224    HE3  LYS  30           HE1      LYS  30  -9.945   6.498   5.205
  225    HZ1  LYS  30           HZ1      LYS  30 -12.003   6.682   6.404
  226    HZ2  LYS  30           HZ2      LYS  30 -11.584   5.425   7.450
  227    HZ3  LYS  30           HZ3      LYS  30 -11.864   5.113   5.823
  228    H    SER  31           HN       SER  31  -6.946   0.940   7.737
  229    HA   SER  31           HA       SER  31  -4.593  -0.225   6.495
  230    HB2  SER  31           HB2      SER  31  -4.914  -1.000   8.682
  231    HB3  SER  31           HB1      SER  31  -6.657  -1.290   8.464
  232    HG   SER  31           HG       SER  31  -4.409  -2.751   7.528
  233    H    PHE  32           HN       PHE  32  -4.847  -2.000   5.008
  234    HA   PHE  32           HA       PHE  32  -6.510  -1.145   2.923
  235    HB2  PHE  32           HB2      PHE  32  -4.831  -3.623   3.215
  236    HB3  PHE  32           HB1      PHE  32  -5.676  -3.182   1.734
  237    HD1  PHE  32           HD1      PHE  32  -2.973  -2.217   4.045
  238    HD2  PHE  32           HD2      PHE  32  -4.885  -1.433   0.326
  239    HE1  PHE  32           HE1      PHE  32  -1.089  -0.784   3.382
  240    HE2  PHE  32           HE2      PHE  32  -3.000  -0.005  -0.349
  241    HZ   PHE  32           HZ       PHE  32  -1.099   0.321   1.181
  242    H    THR  33           HN       THR  33  -6.928  -3.792   5.186
  243    HA   THR  33           HA       THR  33  -9.609  -3.771   4.218
  244    HB   THR  33           HB       THR  33  -8.781  -5.589   3.026
  245    HG1  THR  33           HG1      THR  33 -10.393  -6.841   3.507
  246   HG21  THR  33          HG21      THR  33  -7.685  -7.574   4.038
  247   HG22  THR  33          HG22      THR  33  -7.674  -6.743   5.592
  248   HG23  THR  33          HG23      THR  33  -6.738  -6.100   4.244
  249    H    ASP  34           HN       ASP  34  -9.839  -2.517   5.950
  250    HA   ASP  34           HA       ASP  34 -11.119  -3.774   8.095
  251    HB2  ASP  34           HB2      ASP  34  -8.717  -4.018   8.898
  252    HB3  ASP  34           HB1      ASP  34  -8.621  -2.258   8.915
  253    H    ASP  35           HN       ASP  35  -9.222  -0.941   7.337
  254    HA   ASP  35           HA       ASP  35 -11.482   0.800   7.999
  255    HB2  ASP  35           HB2      ASP  35  -8.713   1.609   7.045
  256    HB3  ASP  35           HB1      ASP  35  -9.944   2.651   7.735
  257    H    LEU  36           HN       LEU  36  -9.264   0.004   5.326
  258    HA   LEU  36           HA       LEU  36 -10.730   1.598   3.484
  259    HB2  LEU  36           HB2      LEU  36  -8.461  -0.346   3.153
  260    HB3  LEU  36           HB1      LEU  36  -9.193   0.503   1.812
  261    HG   LEU  36           HG       LEU  36  -7.768   1.786   4.132
  262   HD11  LEU  36          HD11      LEU  36  -6.988   1.472   1.233
  263   HD12  LEU  36          HD12      LEU  36  -6.263   0.618   2.595
  264   HD13  LEU  36          HD13      LEU  36  -6.087   2.368   2.457
  265   HD21  LEU  36          HD21      LEU  36  -8.044   3.845   2.849
  266   HD22  LEU  36          HD22      LEU  36  -9.599   3.124   3.295
  267   HD23  LEU  36          HD23      LEU  36  -8.989   2.953   1.648
  268    H    ASP  37           HN       ASP  37 -11.596   0.685   1.522
  269    HA   ASP  37           HA       ASP  37 -13.175  -1.631   2.277
  270    HB2  ASP  37           HB2      ASP  37 -14.461   0.470   1.992
  271    HB3  ASP  37           HB1      ASP  37 -13.887   0.581   0.335
  272    H    VAL  38           HN       VAL  38 -11.325  -2.689   1.659
  273    HA   VAL  38           HA       VAL  38 -11.366  -3.524  -1.180
  274    HB   VAL  38           HB       VAL  38  -8.995  -3.694   0.730
  275   HG11  VAL  38          HG11      VAL  38  -8.954  -5.413  -0.973
  276   HG12  VAL  38          HG12      VAL  38  -7.668  -4.240  -1.256
  277   HG13  VAL  38          HG13      VAL  38  -9.129  -4.198  -2.239
  278   HG21  VAL  38          HG21      VAL  38  -9.389  -1.356   0.216
  279   HG22  VAL  38          HG22      VAL  38  -9.403  -1.716  -1.511
  280   HG23  VAL  38          HG23      VAL  38  -7.918  -1.916  -0.578
  281    H    ASP  39           HN       ASP  39 -11.445  -5.835  -1.393
  282    HA   ASP  39           HA       ASP  39 -12.638  -7.246   0.746
  283    HB2  ASP  39           HB2      ASP  39 -12.901  -7.849  -1.677
  284    HB3  ASP  39           HB1      ASP  39 -11.266  -8.487  -1.660
  285    H    SER  40           HN       SER  40  -9.675  -8.429  -0.638
  286    HA   SER  40           HA       SER  40  -7.965  -7.703   1.395
  287    HB2  SER  40           HB2      SER  40  -7.534  -9.738   2.686
  288    HB3  SER  40           HB1      SER  40  -9.210  -9.198   2.846
  289    H    LEU  41           HN       LEU  41  -8.189 -10.880  -0.228
  290    HA   LEU  41           HA       LEU  41  -5.480 -10.912  -0.866
  291    HB2  LEU  41           HB2      LEU  41  -7.760 -12.394  -2.140
  292    HB3  LEU  41           HB1      LEU  41  -6.164 -12.507  -2.835
  293    HG   LEU  41           HG       LEU  41  -5.385 -13.370  -0.580
  294   HD11  LEU  41          HD11      LEU  41  -8.332 -13.662  -0.133
  295   HD12  LEU  41          HD12      LEU  41  -7.236 -12.612   0.763
  296   HD13  LEU  41          HD13      LEU  41  -7.054 -14.363   0.859
  297   HD21  LEU  41          HD21      LEU  41  -6.198 -15.630  -1.028
  298   HD22  LEU  41          HD22      LEU  41  -5.677 -14.808  -2.498
  299   HD23  LEU  41          HD23      LEU  41  -7.397 -14.972  -2.141
  300    H    SER  42           HN       SER  42  -8.060  -9.341  -2.386
  301    HA   SER  42           HA       SER  42  -7.100  -8.892  -4.939
  302    HB2  SER  42           HB2      SER  42  -8.829  -7.144  -3.222
  303    HB3  SER  42           HB1      SER  42  -8.833  -7.201  -5.003
  304    HG   SER  42           HG       SER  42  -9.312  -9.527  -4.656
  305    H    MET  43           HN       MET  43  -6.185  -7.458  -1.887
  306    HA   MET  43           HA       MET  43  -5.061  -5.065  -2.935
  307    HB2  MET  43           HB2      MET  43  -5.780  -5.428  -0.540
  308    HB3  MET  43           HB1      MET  43  -4.408  -6.490  -0.336
  309    HG2  MET  43           HG2      MET  43  -4.181  -3.572  -1.057
  310    HG3  MET  43           HG1      MET  43  -4.173  -4.172   0.591
  311    HE1  MET  43           HE1      MET  43  -0.859  -6.337   0.546
  312    HE2  MET  43           HE2      MET  43  -2.490  -6.887   0.145
  313    HE3  MET  43           HE3      MET  43  -2.233  -5.821   1.513
  314    H    VAL  44           HN       VAL  44  -4.073  -8.341  -2.817
  315    HA   VAL  44           HA       VAL  44  -1.289  -7.943  -2.917
  316    HB   VAL  44           HB       VAL  44  -2.825 -10.274  -4.104
  317   HG11  VAL  44          HG11      VAL  44  -0.496 -10.211  -4.828
  318   HG12  VAL  44          HG12      VAL  44  -0.781 -11.560  -3.725
  319   HG13  VAL  44          HG13      VAL  44   0.033 -10.108  -3.147
  320   HG21  VAL  44          HG21      VAL  44  -1.808  -9.862  -1.282
  321   HG22  VAL  44          HG22      VAL  44  -2.454 -11.371  -1.927
  322   HG23  VAL  44          HG23      VAL  44  -3.478  -9.948  -1.836
  323    H    GLU  45           HN       GLU  45  -3.776  -7.590  -5.279
  324    HA   GLU  45           HA       GLU  45  -2.035  -7.522  -7.564
  325    HB2  GLU  45           HB2      GLU  45  -4.862  -6.495  -7.215
  326    HB3  GLU  45           HB1      GLU  45  -4.016  -6.643  -8.747
  327    HG2  GLU  45           HG2      GLU  45  -4.794  -8.899  -6.921
  328    HG3  GLU  45           HG1      GLU  45  -5.586  -8.456  -8.432
  329    H    VAL  46           HN       VAL  46  -3.024  -5.399  -5.091
  330    HA   VAL  46           HA       VAL  46  -2.412  -2.900  -6.391
  331    HB   VAL  46           HB       VAL  46  -2.669  -3.534  -3.424
  332   HG11  VAL  46          HG11      VAL  46  -2.717  -0.873  -4.834
  333   HG12  VAL  46          HG12      VAL  46  -1.438  -1.486  -3.782
  334   HG13  VAL  46          HG13      VAL  46  -3.035  -1.137  -3.120
  335   HG21  VAL  46          HG21      VAL  46  -4.915  -2.573  -3.562
  336   HG22  VAL  46          HG22      VAL  46  -4.752  -4.008  -4.579
  337   HG23  VAL  46          HG23      VAL  46  -4.724  -2.402  -5.309
  338    H    VAL  47           HN       VAL  47  -1.035  -4.683  -3.678
  339    HA   VAL  47           HA       VAL  47   1.236  -3.165  -3.346
  340    HB   VAL  47           HB       VAL  47   0.502  -4.755  -1.641
  341   HG11  VAL  47          HG11      VAL  47   1.021  -7.126  -1.763
  342   HG12  VAL  47          HG12      VAL  47   1.631  -6.908  -3.406
  343   HG13  VAL  47          HG13      VAL  47  -0.073  -6.627  -3.058
  344   HG21  VAL  47          HG21      VAL  47   2.753  -3.884  -1.511
  345   HG22  VAL  47          HG22      VAL  47   3.346  -5.194  -2.525
  346   HG23  VAL  47          HG23      VAL  47   2.714  -5.546  -0.911
  347    H    VAL  48           HN       VAL  48   0.963  -5.919  -5.561
  348    HA   VAL  48           HA       VAL  48   3.731  -5.996  -6.135
  349    HB   VAL  48           HB       VAL  48   2.184  -7.881  -6.641
  350   HG11  VAL  48          HG11      VAL  48   0.278  -6.696  -7.495
  351   HG12  VAL  48          HG12      VAL  48   0.831  -7.883  -8.678
  352   HG13  VAL  48          HG13      VAL  48   1.198  -6.174  -8.906
  353   HG21  VAL  48          HG21      VAL  48   3.167  -8.537  -8.800
  354   HG22  VAL  48          HG22      VAL  48   4.360  -7.856  -7.693
  355   HG23  VAL  48          HG23      VAL  48   3.737  -6.883  -9.024
  356    H    ALA  49           HN       ALA  49   1.114  -4.093  -7.401
  357    HA   ALA  49           HA       ALA  49   2.703  -2.933  -9.526
  358    HB1  ALA  49           HB1      ALA  49  -0.084  -2.276  -8.548
  359    HB2  ALA  49           HB2      ALA  49   0.310  -3.349  -9.887
  360    HB3  ALA  49           HB3      ALA  49   0.673  -1.625 -10.003
  361    H    ALA  50           HN       ALA  50   2.090  -2.473  -6.283
  362    HA   ALA  50           HA       ALA  50   2.510   0.380  -6.110
  363    HB1  ALA  50           HB1      ALA  50   1.086  -0.842  -4.505
  364    HB2  ALA  50           HB2      ALA  50   2.435   0.013  -3.725
  365    HB3  ALA  50           HB3      ALA  50   2.536  -1.729  -4.012
  366    H    GLU  51           HN       GLU  51   4.278  -2.501  -5.121
  367    HA   GLU  51           HA       GLU  51   6.469  -1.174  -4.092
  368    HB2  GLU  51           HB2      GLU  51   7.653  -3.347  -4.332
  369    HB3  GLU  51           HB1      GLU  51   6.063  -3.505  -3.600
  370    HG2  GLU  51           HG2      GLU  51   5.177  -4.183  -5.818
  371    HG3  GLU  51           HG1      GLU  51   6.852  -4.008  -6.367
  372    H    GLU  52           HN       GLU  52   5.982  -2.379  -7.396
  373    HA   GLU  52           HA       GLU  52   8.479  -1.541  -8.391
  374    HB2  GLU  52           HB2      GLU  52   7.384  -1.672 -10.639
  375    HB3  GLU  52           HB1      GLU  52   7.230  -3.127  -9.666
  376    HG2  GLU  52           HG2      GLU  52   4.978  -2.709  -9.198
  377    HG3  GLU  52           HG1      GLU  52   5.062  -1.048  -9.761
  378    H    ARG  53           HN       ARG  53   5.388   0.090  -8.118
  379    HA   ARG  53           HA       ARG  53   5.912   2.374  -9.669
  380    HB2  ARG  53           HB2      ARG  53   3.656   1.704  -8.950
  381    HB3  ARG  53           HB1      ARG  53   4.082   2.023  -7.282
  382    HG2  ARG  53           HG2      ARG  53   2.788   3.856  -7.953
  383    HG3  ARG  53           HG1      ARG  53   4.446   4.437  -7.996
  384    HD2  ARG  53           HD2      ARG  53   2.787   3.556 -10.369
  385    HD3  ARG  53           HD1      ARG  53   3.189   5.213  -9.936
  386    HE   ARG  53           HE       ARG  53   5.053   3.181 -10.929
  387   HH11  ARG  53          HH11      ARG  53   4.284   6.631 -10.357
  388   HH12  ARG  53          HH12      ARG  53   5.591   7.199 -11.270
  389   HH21  ARG  53          HH21      ARG  53   6.831   3.983 -12.120
  390   HH22  ARG  53          HH22      ARG  53   7.106   5.674 -12.278
  391    H    PHE  54           HN       PHE  54   6.415   1.653  -6.272
  392    HA   PHE  54           HA       PHE  54   7.395   4.327  -5.784
  393    HB2  PHE  54           HB2      PHE  54   7.072   2.013  -3.879
  394    HB3  PHE  54           HB1      PHE  54   7.529   3.652  -3.423
  395    HD1  PHE  54           HD2      PHE  54   5.824   5.416  -4.718
  396    HD2  PHE  54           HD1      PHE  54   4.942   1.510  -3.317
  397    HE1  PHE  54           HE2      PHE  54   3.453   6.023  -4.517
  398    HE2  PHE  54           HE1      PHE  54   2.582   2.107  -3.123
  399    HZ   PHE  54           HZ       PHE  54   1.831   4.365  -3.793
  400    H    ASP  55           HN       ASP  55   8.809   1.881  -7.223
  401    HA   ASP  55           HA       ASP  55  10.946   1.214  -7.652
  402    HB2  ASP  55           HB2      ASP  55  11.717   3.675  -6.044
  403    HB3  ASP  55           HB1      ASP  55  12.844   2.705  -6.975
  404    H    VAL  56           HN       VAL  56   9.588   0.178  -5.355
  405    HA   VAL  56           HA       VAL  56  11.885  -0.455  -3.656
  406    HB   VAL  56           HB       VAL  56  10.139   1.029  -2.586
  407   HG11  VAL  56          HG11      VAL  56   8.347  -1.359  -2.766
  408   HG12  VAL  56          HG12      VAL  56   8.128   0.205  -3.553
  409   HG13  VAL  56          HG13      VAL  56   8.036   0.076  -1.796
  410   HG21  VAL  56          HG21      VAL  56  10.540  -1.644  -1.259
  411   HG22  VAL  56          HG22      VAL  56   9.990  -0.177  -0.448
  412   HG23  VAL  56          HG23      VAL  56  11.605  -0.242  -1.150
  413    H    LYS  57           HN       LYS  57  11.189  -2.646  -2.367
  414    HA   LYS  57           HA       LYS  57   9.722  -4.394  -4.139
  415    HB2  LYS  57           HB2      LYS  57  12.072  -4.915  -4.610
  416    HB3  LYS  57           HB1      LYS  57  12.433  -4.995  -2.889
  417    HG2  LYS  57           HG2      LYS  57  12.250  -7.224  -3.952
  418    HG3  LYS  57           HG1      LYS  57  11.084  -6.985  -2.645
  419    HD2  LYS  57           HD2      LYS  57   9.494  -6.212  -4.529
  420    HD3  LYS  57           HD1      LYS  57  10.631  -7.028  -5.607
  421    HE2  LYS  57           HE2      LYS  57  10.244  -9.123  -4.563
  422    HE3  LYS  57           HE1      LYS  57   9.389  -8.368  -3.218
  423    HZ1  LYS  57           HZ1      LYS  57   8.427  -8.600  -6.032
  424    HZ2  LYS  57           HZ2      LYS  57   7.727  -7.608  -4.867
  425    HZ3  LYS  57           HZ3      LYS  57   7.755  -9.284  -4.625
  426    H    ILE  58           HN       ILE  58   8.123  -5.256  -3.060
  427    HA   ILE  58           HA       ILE  58   8.411  -5.390  -0.136
  428    HB   ILE  58           HB       ILE  58   5.843  -5.043  -1.728
  429   HG12  ILE  58          HG12      ILE  58   7.235  -3.022   0.037
  430   HG13  ILE  58          HG11      ILE  58   7.468  -3.086  -1.703
  431   HG21  ILE  58          HG21      ILE  58   5.538  -6.235   0.404
  432   HG22  ILE  58          HG22      ILE  58   4.830  -4.622   0.480
  433   HG23  ILE  58          HG23      ILE  58   6.385  -4.941   1.253
  434   HD11  ILE  58          HD11      ILE  58   4.843  -2.634  -0.311
  435   HD12  ILE  58          HD12      ILE  58   5.133  -2.650  -2.057
  436   HD13  ILE  58          HD13      ILE  58   5.856  -1.392  -1.056
  437    HA   PRO  59           HA       PRO  59   8.279  -9.806  -1.207
  438    HB2  PRO  59           HB2      PRO  59   8.844  -9.991   1.686
  439    HB3  PRO  59           HB1      PRO  59   9.755 -10.649   0.323
  440    HG2  PRO  59           HG2      PRO  59  10.703  -8.593   1.720
  441    HG3  PRO  59           HG1      PRO  59  10.895  -8.660  -0.042
  442    HD2  PRO  59           HD2      PRO  59   8.899  -7.130   1.585
  443    HD3  PRO  59           HD1      PRO  59   9.868  -6.587   0.198
  444    H    ASP  60           HN       ASP  60   6.916 -11.464  -0.769
  445    HA   ASP  60           HA       ASP  60   4.242 -10.713  -0.406
  446    HB2  ASP  60           HB2      ASP  60   5.484 -13.459  -0.499
  447    HB3  ASP  60           HB1      ASP  60   3.749 -13.191  -0.425
  448    H    ASP  61           HN       ASP  61   6.413 -12.274   1.853
  449    HA   ASP  61           HA       ASP  61   4.255 -12.697   3.749
  450    HB2  ASP  61           HB2      ASP  61   6.038 -14.349   3.677
  451    HB3  ASP  61           HB1      ASP  61   7.236 -13.114   4.032
  452    H    ASP  62           HN       ASP  62   6.779 -10.434   3.183
  453    HA   ASP  62           HA       ASP  62   6.608  -9.020   5.631
  454    HB2  ASP  62           HB2      ASP  62   7.616  -8.206   2.905
  455    HB3  ASP  62           HB1      ASP  62   7.583  -7.076   4.252
  456    H    VAL  63           HN       VAL  63   4.803  -8.897   2.694
  457    HA   VAL  63           HA       VAL  63   3.235  -6.605   3.078
  458    HB   VAL  63           HB       VAL  63   2.387  -9.291   1.916
  459   HG11  VAL  63          HG11      VAL  63   0.656  -8.042   0.719
  460   HG12  VAL  63          HG12      VAL  63   1.137  -6.569   1.564
  461   HG13  VAL  63          HG13      VAL  63   0.452  -7.921   2.466
  462   HG21  VAL  63          HG21      VAL  63   3.449  -6.827   0.539
  463   HG22  VAL  63          HG22      VAL  63   2.859  -8.285  -0.264
  464   HG23  VAL  63          HG23      VAL  63   4.299  -8.359   0.748
  465    H    LYS  64           HN       LYS  64   2.763  -9.931   4.187
  466    HA   LYS  64           HA       LYS  64   0.234  -9.613   5.439
  467    HB2  LYS  64           HB2      LYS  64   2.362 -11.650   6.081
  468    HB3  LYS  64           HB1      LYS  64   0.641 -11.786   6.391
  469    HG2  LYS  64           HG2      LYS  64   0.184 -11.927   4.029
  470    HG3  LYS  64           HG1      LYS  64   1.891 -11.646   3.655
  471    HD2  LYS  64           HD2      LYS  64   2.443 -13.699   4.944
  472    HD3  LYS  64           HD1      LYS  64   0.715 -13.996   5.125
  473    HE2  LYS  64           HE2      LYS  64   2.205 -13.818   2.508
  474    HE3  LYS  64           HE1      LYS  64   1.714 -15.306   3.308
  475    HZ1  LYS  64           HZ1      LYS  64  -0.091 -13.227   2.159
  476    HZ2  LYS  64           HZ2      LYS  64  -0.609 -14.569   3.069
  477    HZ3  LYS  64           HZ3      LYS  64   0.200 -14.794   1.610
  478    H    ASN  65           HN       ASN  65   3.350  -8.707   6.384
  479    HA   ASN  65           HA       ASN  65   2.917  -8.857   9.242
  480    HB2  ASN  65           HB2      ASN  65   5.231  -8.150   7.514
  481    HB3  ASN  65           HB1      ASN  65   5.199  -7.542   9.160
  482   HD21  ASN  65          HD21      ASN  65   5.364 -10.413   7.151
  483   HD22  ASN  65          HD22      ASN  65   5.913 -11.439   8.408
  484    H    LEU  66           HN       LEU  66   2.311  -6.579   6.778
  485    HA   LEU  66           HA       LEU  66   2.630  -4.338   8.596
  486    HB2  LEU  66           HB2      LEU  66   1.707  -4.409   5.733
  487    HB3  LEU  66           HB1      LEU  66   1.984  -2.961   6.679
  488    HG   LEU  66           HG       LEU  66   4.073  -4.950   5.810
  489   HD11  LEU  66          HD11      LEU  66   3.232  -3.554   4.042
  490   HD12  LEU  66          HD12      LEU  66   4.875  -3.043   4.490
  491   HD13  LEU  66          HD13      LEU  66   3.460  -2.137   5.065
  492   HD21  LEU  66          HD21      LEU  66   5.688  -3.377   6.771
  493   HD22  LEU  66          HD22      LEU  66   4.610  -4.016   8.012
  494   HD23  LEU  66          HD23      LEU  66   4.364  -2.386   7.385
  495    H    LYS  67           HN       LYS  67   0.711  -2.705   8.428
  496    HA   LYS  67           HA       LYS  67  -1.767  -4.231   8.673
  497    HB2  LYS  67           HB2      LYS  67  -0.803  -2.102  10.587
  498    HB3  LYS  67           HB1      LYS  67  -2.357  -2.922  10.671
  499    HG2  LYS  67           HG2      LYS  67  -1.243  -5.042  11.042
  500    HG3  LYS  67           HG1      LYS  67   0.318  -4.239  10.849
  501    HD2  LYS  67           HD2      LYS  67  -1.619  -3.372  12.992
  502    HD3  LYS  67           HD1      LYS  67  -0.563  -4.752  13.253
  503    HE2  LYS  67           HE2      LYS  67   0.424  -2.761  14.224
  504    HE3  LYS  67           HE1      LYS  67   1.395  -3.307  12.868
  505    HZ1  LYS  67           HZ1      LYS  67   0.459  -1.492  11.523
  506    HZ2  LYS  67           HZ2      LYS  67   1.120  -0.885  12.925
  507    HZ3  LYS  67           HZ3      LYS  67  -0.547  -1.050  12.788
  508    H    THR  68           HN       THR  68  -0.848  -0.819   9.029
  509    HA   THR  68           HA       THR  68  -3.173  -0.143   7.392
  510    HB   THR  68           HB       THR  68  -2.782   2.181   8.238
  511    HG1  THR  68           HG1      THR  68  -0.793   0.848   9.809
  512   HG21  THR  68          HG21      THR  68  -3.046   0.032  10.355
  513   HG22  THR  68          HG22      THR  68  -4.365   0.716   9.399
  514   HG23  THR  68          HG23      THR  68  -3.499   1.722  10.556
  515    H    VAL  69           HN       VAL  69  -2.772   2.073   6.138
  516    HA   VAL  69           HA       VAL  69  -0.653   1.596   4.299
  517    HB   VAL  69           HB       VAL  69  -1.300   3.717   3.195
  518   HG11  VAL  69          HG11      VAL  69  -3.591   3.111   2.570
  519   HG12  VAL  69          HG12      VAL  69  -3.665   2.009   3.946
  520   HG13  VAL  69          HG13      VAL  69  -2.536   1.698   2.629
  521   HG21  VAL  69          HG21      VAL  69  -3.189   5.013   4.010
  522   HG22  VAL  69          HG22      VAL  69  -1.865   5.006   5.177
  523   HG23  VAL  69          HG23      VAL  69  -3.283   3.987   5.433
  524    H    GLY  70           HN       GLY  70  -0.935   3.232   7.256
  525    HA2  GLY  70           HA2      GLY  70   1.294   4.965   6.967
  526    HA3  GLY  70           HA1      GLY  70   0.571   4.422   8.483
  527    H    ASP  71           HN       ASP  71   0.794   1.615   7.698
  528    HA   ASP  71           HA       ASP  71   3.534   1.251   8.530
  529    HB2  ASP  71           HB2      ASP  71   1.431  -0.824   7.929
  530    HB3  ASP  71           HB1      ASP  71   2.987  -1.119   8.707
  531    H    ALA  72           HN       ALA  72   1.612   0.889   5.712
  532    HA   ALA  72           HA       ALA  72   3.393  -0.593   4.117
  533    HB1  ALA  72           HB1      ALA  72   2.118   0.297   2.223
  534    HB2  ALA  72           HB2      ALA  72   1.369   1.488   3.283
  535    HB3  ALA  72           HB3      ALA  72   1.038  -0.228   3.515
  536    H    THR  73           HN       THR  73   2.810   2.876   4.380
  537    HA   THR  73           HA       THR  73   4.705   3.800   2.654
  538    HB   THR  73           HB       THR  73   4.622   5.894   4.136
  539    HG1  THR  73           HG1      THR  73   2.412   4.657   5.309
  540   HG21  THR  73          HG21      THR  73   2.034   4.707   3.156
  541   HG22  THR  73          HG22      THR  73   3.220   5.528   2.151
  542   HG23  THR  73          HG23      THR  73   2.364   6.422   3.409
  543    H    LYS  74           HN       LYS  74   5.085   3.336   6.189
  544    HA   LYS  74           HA       LYS  74   7.725   4.190   6.390
  545    HB2  LYS  74           HB2      LYS  74   6.335   2.107   8.077
  546    HB3  LYS  74           HB1      LYS  74   7.906   2.789   8.450
  547    HG2  LYS  74           HG2      LYS  74   6.784   5.043   8.528
  548    HG3  LYS  74           HG1      LYS  74   5.247   4.180   8.416
  549    HD2  LYS  74           HD2      LYS  74   7.327   3.776  10.580
  550    HD3  LYS  74           HD1      LYS  74   5.854   4.723  10.753
  551    HE2  LYS  74           HE2      LYS  74   5.962   1.757  10.162
  552    HE3  LYS  74           HE1      LYS  74   5.682   2.459  11.753
  553    HZ1  LYS  74           HZ1      LYS  74   3.680   3.502  10.879
  554    HZ2  LYS  74           HZ2      LYS  74   3.575   1.824  10.683
  555    HZ3  LYS  74           HZ3      LYS  74   3.947   2.831   9.378
  556    H    TYR  75           HN       TYR  75   6.533   0.979   5.522
  557    HA   TYR  75           HA       TYR  75   9.096  -0.251   5.653
  558    HB2  TYR  75           HB2      TYR  75   6.908  -1.491   5.737
  559    HB3  TYR  75           HB1      TYR  75   6.697  -1.140   4.026
  560    HD1  TYR  75           HD1      TYR  75   8.700  -3.059   6.475
  561    HD2  TYR  75           HD2      TYR  75   7.890  -2.346   2.361
  562    HE1  TYR  75           HE1      TYR  75   9.938  -5.092   5.892
  563    HE2  TYR  75           HE2      TYR  75   9.127  -4.371   1.756
  564    HH   TYR  75           HH       TYR  75  10.867  -5.762   2.679
  565    H    ILE  76           HN       ILE  76   7.209   1.211   3.127
  566    HA   ILE  76           HA       ILE  76   8.852   0.623   0.921
  567    HB   ILE  76           HB       ILE  76   6.867   2.851   1.397
  568   HG12  ILE  76          HG12      ILE  76   6.640   0.317  -0.225
  569   HG13  ILE  76          HG11      ILE  76   6.072   0.488   1.434
  570   HG21  ILE  76          HG21      ILE  76   8.434   3.541  -0.343
  571   HG22  ILE  76          HG22      ILE  76   6.854   3.178  -1.040
  572   HG23  ILE  76          HG23      ILE  76   8.178   2.019  -1.200
  573   HD11  ILE  76          HD11      ILE  76   5.136   2.052  -0.935
  574   HD12  ILE  76          HD12      ILE  76   4.610   2.249   0.738
  575   HD13  ILE  76          HD13      ILE  76   4.259   0.736  -0.123
  576    H    LEU  77           HN       LEU  77   8.577   3.695   2.755
  577    HA   LEU  77           HA       LEU  77  10.772   4.849   1.368
  578    HB2  LEU  77           HB2      LEU  77  10.682   6.676   3.073
  579    HB3  LEU  77           HB1      LEU  77   9.194   6.392   2.205
  580    HG   LEU  77           HG       LEU  77   8.410   5.109   4.266
  581   HD11  LEU  77          HD11      LEU  77   9.437   5.689   6.394
  582   HD12  LEU  77          HD12      LEU  77  10.742   6.514   5.540
  583   HD13  LEU  77          HD13      LEU  77  10.535   4.770   5.363
  584   HD21  LEU  77          HD21      LEU  77   7.581   7.287   3.662
  585   HD22  LEU  77          HD22      LEU  77   8.944   8.060   4.472
  586   HD23  LEU  77          HD23      LEU  77   7.751   7.164   5.414
  587    H    ASP  78           HN       ASP  78  10.700   2.791   3.983
  588    HA   ASP  78           HA       ASP  78  13.334   3.389   4.955
  589    HB2  ASP  78           HB2      ASP  78  11.788   2.192   6.386
  590    HB3  ASP  78           HB1      ASP  78  11.637   0.897   5.209
  591    H    HIS  79           HN       HIS  79  12.005   1.252   2.546
  592    HA   HIS  79           HA       HIS  79  14.627   0.098   1.947
  593    HB2  HIS  79           HB2      HIS  79  11.841  -0.644   1.107
  594    HB3  HIS  79           HB1      HIS  79  13.250  -1.304   0.302
  595    HD1  HIS  79           HD1      HIS  79  13.296  -3.630   1.004
  596    HD2  HIS  79           HD2      HIS  79  12.586  -1.112   4.226
  597    HE1  HIS  79           HE1      HIS  79  13.211  -5.128   3.024
  598    HE2  HIS  79           HE2      HIS  79  12.912  -3.603   4.965
  599    H    GLN  80           HN       GLN  80  13.064   2.795   0.962
  600    HA   GLN  80           HA       GLN  80  13.612   2.568  -1.879
  601    HB2  GLN  80           HB2      GLN  80  12.571   4.782  -0.165
  602    HB3  GLN  80           HB1      GLN  80  13.150   5.118  -1.781
  603    HG2  GLN  80           HG2      GLN  80  11.469   3.520  -2.652
  604    HG3  GLN  80           HG1      GLN  80  10.859   3.335  -1.001
  605   HE21  GLN  80          HE21      GLN  80   9.800   4.996  -0.054
  606   HE22  GLN  80          HE22      GLN  80   9.295   6.434  -0.864
  607    H    ALA  81           HN       ALA  81  14.710   4.725  -2.773
  608    HA   ALA  81           HA       ALA  81  17.166   5.239  -1.299
  609    HB1  ALA  81           HB1      ALA  81  16.940   4.595  -4.253
  610    HB2  ALA  81           HB2      ALA  81  17.682   3.565  -3.031
  611    HB3  ALA  81           HB3      ALA  81  18.410   5.123  -3.431
  612    H28  SXO 101          H28B      SXO 101  -7.093 -11.458   4.299
  613   H28A  SXO 101          H28A      SXO 101  -6.462 -11.755   2.677
  614    H30  SXO 101          H30A      SXO 101  -5.872 -14.357   5.951
  615   H30A  SXO 101          H30C      SXO 101  -6.476 -12.698   6.059
  616   H30B  SXO 101          H30B      SXO 101  -7.508 -13.957   5.338
  617    H31  SXO 101          H31A      SXO 101  -5.148 -15.196   3.716
  618   H31A  SXO 101          H31B      SXO 101  -5.471 -14.176   2.304
  619   H31B  SXO 101          H31C      SXO 101  -6.813 -14.907   3.186
  620    H32  SXO 101          H32A      SXO 101  -4.560 -11.769   5.049
  621   HO33  SXO 101          H33A      SXO 101  -2.999 -13.852   4.430
  622   HN36  SXO 101          H36A      SXO 101  -5.079 -10.883   2.781
  623    H37  SXO 101          H37A      SXO 101  -3.050 -11.505   0.745
  624   H37A  SXO 101          H37B      SXO 101  -4.575 -10.687   0.507
  625    H38  SXO 101          H38B      SXO 101  -2.929  -8.998   0.336
  626   H38A  SXO 101          H38A      SXO 101  -2.151  -9.572   1.828
  627   HN41  SXO 101          H41A      SXO 101  -3.265  -9.437   3.785
  628    H42  SXO 101          H42A      SXO 101  -4.230  -6.819   4.269
  629   H42A  SXO 101          H42B      SXO 101  -5.465  -8.017   4.527
  630    H43  SXO 101          H43B      SXO 101  -4.281  -7.615   6.591
  631   H43A  SXO 101          H43A      SXO 101  -3.886  -9.242   5.974
  632    H2   SXO 101           H2A      SXO 101  -0.174  -6.086   5.167
  633    H2A  SXO 101           H2B      SXO 101  -0.721  -4.554   5.853
  634    H3   SXO 101           H3B      SXO 101  -1.275  -5.583   3.082
  635    H3A  SXO 101           H3A      SXO 101  -1.864  -4.055   3.744
  636    H4   SXO 101           H4A      SXO 101   1.034  -4.825   3.390
  637    H4A  SXO 101           H4B      SXO 101   0.446  -3.296   4.048
  638    H5   SXO 101           H5B      SXO 101  -0.009  -4.354   1.265
  639    H5A  SXO 101           H5A      SXO 101  -0.733  -2.884   1.913
  640    H6   SXO 101           H6A      SXO 101   2.206  -3.427   1.528
  641    H6A  SXO 101           H6B      SXO 101   1.532  -1.977   2.279
  642    H7   SXO 101           H7A      SXO 101   0.306  -1.491   0.175
  643    H7A  SXO 101           H7B      SXO 101   1.067  -2.909  -0.568
  644    H8   SXO 101           H8C      SXO 101   2.239  -0.860  -1.142
  645    H8A  SXO 101           H8A      SXO 101   3.258  -1.921  -0.171
  646    H8B  SXO 101           H8B      SXO 101   2.492  -0.516   0.570
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1  12.694   9.573  -3.418
    2    H2   ALA   1           HT2      ALA   1  13.128   7.934  -3.556
    3    H3   ALA   1           HT3      ALA   1  11.954   8.436  -2.436
    4    HA   ALA   1           HA       ALA   1  11.737   8.877  -5.345
    5    HB1  ALA   1           HB1      ALA   1  10.165   7.019  -5.474
    6    HB2  ALA   1           HB2      ALA   1  10.414   6.670  -3.763
    7    HB3  ALA   1           HB3      ALA   1  11.739   6.459  -4.907
    8    H    ALA   2           HN       ALA   2   9.685   8.268  -2.446
    9    HA   ALA   2           HA       ALA   2   8.394  10.866  -2.605
   10    HB1  ALA   2           HB1      ALA   2   7.163   9.514  -4.347
   11    HB2  ALA   2           HB2      ALA   2   6.181   9.959  -2.951
   12    HB3  ALA   2           HB3      ALA   2   6.823   8.322  -3.093
   13    H    THR   3           HN       THR   3   7.143  11.276  -0.934
   14    HA   THR   3           HA       THR   3   8.110   9.681   1.222
   15    HB   THR   3           HB       THR   3   7.354  11.692   2.618
   16    HG1  THR   3           HG1      THR   3   7.232  12.761  -0.020
   17   HG21  THR   3          HG21      THR   3   9.570  12.735   2.283
   18   HG22  THR   3          HG22      THR   3   9.751  11.762   0.808
   19   HG23  THR   3          HG23      THR   3   9.617  10.972   2.378
   20    H    GLN   4           HN       GLN   4   6.493  10.070   3.363
   21    HA   GLN   4           HA       GLN   4   4.887   7.900   2.746
   22    HB2  GLN   4           HB2      GLN   4   3.961   7.977   4.987
   23    HB3  GLN   4           HB1      GLN   4   5.703   8.129   4.967
   24    HG2  GLN   4           HG2      GLN   4   5.524  10.496   5.422
   25    HG3  GLN   4           HG1      GLN   4   3.759  10.391   5.343
   26   HE21  GLN   4          HE21      GLN   4   3.500  11.071   7.481
   27   HE22  GLN   4          HE22      GLN   4   3.911  10.014   8.796
   28    H    GLU   5           HN       GLU   5   3.816  11.251   2.808
   29    HA   GLU   5           HA       GLU   5   1.066  10.442   2.731
   30    HB2  GLU   5           HB2      GLU   5   1.803  12.664   3.617
   31    HB3  GLU   5           HB1      GLU   5   2.296  13.114   1.995
   32    HG2  GLU   5           HG2      GLU   5  -0.028  12.898   1.242
   33    HG3  GLU   5           HG1      GLU   5  -0.509  12.491   2.889
   34    H    GLU   6           HN       GLU   6   3.580  11.188   0.481
   35    HA   GLU   6           HA       GLU   6   1.979  11.185  -1.889
   36    HB2  GLU   6           HB2      GLU   6   4.921  10.618  -1.563
   37    HB3  GLU   6           HB1      GLU   6   4.110  11.007  -3.073
   38    HG2  GLU   6           HG2      GLU   6   3.599  13.221  -2.245
   39    HG3  GLU   6           HG1      GLU   6   4.340  12.823  -0.694
   40    H    ILE   7           HN       ILE   7   3.856   8.816  -0.118
   41    HA   ILE   7           HA       ILE   7   3.682   6.696  -1.853
   42    HB   ILE   7           HB       ILE   7   3.755   6.653   1.159
   43   HG12  ILE   7          HG12      ILE   7   5.740   7.672   0.181
   44   HG13  ILE   7          HG11      ILE   7   6.159   6.112   0.875
   45   HG21  ILE   7          HG21      ILE   7   4.525   4.297   0.987
   46   HG22  ILE   7          HG22      ILE   7   4.227   4.351  -0.748
   47   HG23  ILE   7          HG23      ILE   7   2.882   4.515   0.382
   48   HD11  ILE   7          HD11      ILE   7   5.713   6.678  -2.047
   49   HD12  ILE   7          HD12      ILE   7   6.191   5.128  -1.352
   50   HD13  ILE   7          HD13      ILE   7   7.272   6.517  -1.246
   51    H    VAL   8           HN       VAL   8   1.618   7.502   0.975
   52    HA   VAL   8           HA       VAL   8  -0.309   5.504   0.642
   53    HB   VAL   8           HB       VAL   8  -0.648   8.256   1.902
   54   HG11  VAL   8          HG11      VAL   8  -2.564   7.292   3.063
   55   HG12  VAL   8          HG12      VAL   8  -2.357   5.790   2.163
   56   HG13  VAL   8          HG13      VAL   8  -2.809   7.271   1.318
   57   HG21  VAL   8          HG21      VAL   8   1.063   6.888   2.965
   58   HG22  VAL   8          HG22      VAL   8  -0.100   5.564   3.116
   59   HG23  VAL   8          HG23      VAL   8  -0.358   7.067   3.999
   60    H    ALA   9           HN       ALA   9  -0.220   8.762  -0.703
   61    HA   ALA   9           HA       ALA   9  -2.697   8.711  -2.010
   62    HB1  ALA   9           HB1      ALA   9  -1.361  10.733  -1.726
   63    HB2  ALA   9           HB2      ALA   9  -1.798  10.477  -3.419
   64    HB3  ALA   9           HB3      ALA   9  -0.167  10.095  -2.855
   65    H    GLY  10           HN       GLY  10   0.492   7.603  -3.044
   66    HA2  GLY  10           HA2      GLY  10  -0.241   6.910  -5.688
   67    HA3  GLY  10           HA1      GLY  10   1.174   6.320  -4.818
   68    H    LEU  11           HN       LEU  11  -0.139   5.166  -2.648
   69    HA   LEU  11           HA       LEU  11  -0.795   2.599  -3.530
   70    HB2  LEU  11           HB2      LEU  11  -1.508   4.029  -0.965
   71    HB3  LEU  11           HB1      LEU  11  -1.799   2.326  -1.226
   72    HG   LEU  11           HG       LEU  11   0.935   3.603  -1.292
   73   HD11  LEU  11          HD11      LEU  11   1.247   2.500   0.916
   74   HD12  LEU  11          HD12      LEU  11  -0.486   2.151   0.952
   75   HD13  LEU  11          HD13      LEU  11   0.079   3.809   0.953
   76   HD21  LEU  11          HD21      LEU  11   0.757   1.532  -2.565
   77   HD22  LEU  11          HD22      LEU  11   0.058   0.719  -1.163
   78   HD23  LEU  11          HD23      LEU  11   1.725   1.292  -1.110
   79    H    ALA  12           HN       ALA  12  -2.810   5.325  -2.654
   80    HA   ALA  12           HA       ALA  12  -5.282   4.060  -3.016
   81    HB1  ALA  12           HB1      ALA  12  -4.994   6.092  -1.708
   82    HB2  ALA  12           HB2      ALA  12  -6.259   6.223  -2.934
   83    HB3  ALA  12           HB3      ALA  12  -4.689   6.999  -3.200
   84    H    GLU  13           HN       GLU  13  -3.101   5.515  -5.319
   85    HA   GLU  13           HA       GLU  13  -4.874   5.888  -7.496
   86    HB2  GLU  13           HB2      GLU  13  -1.976   5.007  -7.513
   87    HB3  GLU  13           HB1      GLU  13  -2.869   5.529  -8.928
   88    HG2  GLU  13           HG2      GLU  13  -2.386   7.270  -6.529
   89    HG3  GLU  13           HG1      GLU  13  -1.320   7.214  -7.931
   90    H    ILE  14           HN       ILE  14  -2.968   3.100  -6.517
   91    HA   ILE  14           HA       ILE  14  -4.155   1.484  -8.530
   92    HB   ILE  14           HB       ILE  14  -2.500   0.567  -6.135
   93   HG12  ILE  14          HG12      ILE  14  -0.764   0.075  -7.957
   94   HG13  ILE  14          HG11      ILE  14  -1.733   1.076  -9.024
   95   HG21  ILE  14          HG21      ILE  14  -3.382  -0.913  -8.586
   96   HG22  ILE  14          HG22      ILE  14  -3.949  -1.182  -6.934
   97   HG23  ILE  14          HG23      ILE  14  -2.266  -1.544  -7.368
   98   HD11  ILE  14          HD11      ILE  14   0.156   2.296  -8.144
   99   HD12  ILE  14          HD12      ILE  14  -0.353   1.946  -6.498
  100   HD13  ILE  14          HD13      ILE  14  -1.346   2.986  -7.524
  101    H    VAL  15           HN       VAL  15  -4.695   1.926  -5.039
  102    HA   VAL  15           HA       VAL  15  -6.614  -0.126  -4.884
  103    HB   VAL  15           HB       VAL  15  -6.439   2.309  -3.050
  104   HG11  VAL  15          HG11      VAL  15  -7.664   0.943  -1.428
  105   HG12  VAL  15          HG12      VAL  15  -7.820  -0.342  -2.623
  106   HG13  VAL  15          HG13      VAL  15  -8.618   1.211  -2.887
  107   HG21  VAL  15          HG21      VAL  15  -4.380   0.984  -3.016
  108   HG22  VAL  15          HG22      VAL  15  -5.333  -0.474  -2.722
  109   HG23  VAL  15          HG23      VAL  15  -5.288   0.800  -1.511
  110    H    ASN  16           HN       ASN  16  -6.901   3.130  -6.038
  111    HA   ASN  16           HA       ASN  16  -9.747   3.248  -6.128
  112    HB2  ASN  16           HB2      ASN  16  -8.344   5.275  -6.292
  113    HB3  ASN  16           HB1      ASN  16  -7.681   4.702  -7.814
  114   HD21  ASN  16          HD21      ASN  16 -10.374   6.189  -6.248
  115   HD22  ASN  16          HD22      ASN  16 -11.249   6.593  -7.663
  116    H    GLU  17           HN       GLU  17  -7.284   1.929  -8.157
  117    HA   GLU  17           HA       GLU  17  -8.949   1.498 -10.458
  118    HB2  GLU  17           HB2      GLU  17  -6.538   1.917 -10.627
  119    HB3  GLU  17           HB1      GLU  17  -6.214   0.458  -9.711
  120    HG2  GLU  17           HG2      GLU  17  -7.153  -0.878 -11.514
  121    HG3  GLU  17           HG1      GLU  17  -7.488   0.593 -12.429
  122    H    ILE  18           HN       ILE  18  -7.786  -0.331  -7.732
  123    HA   ILE  18           HA       ILE  18  -8.817  -2.856  -8.667
  124    HB   ILE  18           HB       ILE  18  -7.652  -2.005  -6.011
  125   HG12  ILE  18          HG12      ILE  18  -6.067  -1.905  -7.834
  126   HG13  ILE  18          HG11      ILE  18  -5.661  -3.238  -6.761
  127   HG21  ILE  18          HG21      ILE  18  -9.111  -3.906  -5.653
  128   HG22  ILE  18          HG22      ILE  18  -7.419  -4.386  -5.490
  129   HG23  ILE  18          HG23      ILE  18  -8.313  -4.789  -6.957
  130   HD11  ILE  18          HD11      ILE  18  -5.380  -3.872  -9.087
  131   HD12  ILE  18          HD12      ILE  18  -7.067  -3.454  -9.408
  132   HD13  ILE  18          HD13      ILE  18  -6.682  -4.801  -8.337
  133    H    ALA  19           HN       ALA  19  -9.638  -0.675  -5.954
  134    HA   ALA  19           HA       ALA  19 -12.175  -2.138  -5.712
  135    HB1  ALA  19           HB1      ALA  19 -10.726  -2.291  -3.752
  136    HB2  ALA  19           HB2      ALA  19 -12.228  -1.439  -3.380
  137    HB3  ALA  19           HB3      ALA  19 -10.728  -0.534  -3.608
  138    H    GLY  20           HN       GLY  20 -10.757   1.092  -5.557
  139    HA2  GLY  20           HA2      GLY  20 -11.797   2.933  -6.709
  140    HA3  GLY  20           HA1      GLY  20 -13.348   2.134  -6.499
  141    H    ILE  21           HN       ILE  21 -10.877   4.030  -4.959
  142    HA   ILE  21           HA       ILE  21 -12.825   4.947  -3.024
  143    HB   ILE  21           HB       ILE  21 -10.769   5.108  -1.407
  144   HG12  ILE  21          HG12      ILE  21  -9.352   3.003  -1.495
  145   HG13  ILE  21          HG11      ILE  21  -9.978   2.739  -3.110
  146   HG21  ILE  21          HG21      ILE  21 -12.354   2.593  -1.746
  147   HG22  ILE  21          HG22      ILE  21 -12.738   4.040  -0.785
  148   HG23  ILE  21          HG23      ILE  21 -11.382   3.020  -0.328
  149   HD11  ILE  21          HD11      ILE  21  -7.759   3.708  -3.166
  150   HD12  ILE  21          HD12      ILE  21  -8.316   5.088  -2.217
  151   HD13  ILE  21          HD13      ILE  21  -8.940   4.827  -3.846
  152    HA   PRO  22           HA       PRO  22 -11.241   8.887  -4.148
  153    HB2  PRO  22           HB2      PRO  22 -11.433   9.770  -1.348
  154    HB3  PRO  22           HB1      PRO  22 -12.324  10.346  -2.758
  155    HG2  PRO  22           HG2      PRO  22 -13.501   8.890  -0.824
  156    HG3  PRO  22           HG1      PRO  22 -13.979   8.760  -2.528
  157    HD2  PRO  22           HD2      PRO  22 -12.260   6.948  -0.894
  158    HD3  PRO  22           HD1      PRO  22 -13.491   6.542  -2.110
  159    H    VAL  23           HN       VAL  23  -9.177   9.308  -4.483
  160    HA   VAL  23           HA       VAL  23  -7.096   8.145  -2.999
  161    HB   VAL  23           HB       VAL  23  -5.544   9.519  -4.372
  162   HG11  VAL  23          HG11      VAL  23  -7.791   8.169  -5.879
  163   HG12  VAL  23          HG12      VAL  23  -6.381   7.367  -5.184
  164   HG13  VAL  23          HG13      VAL  23  -6.181   8.507  -6.516
  165   HG21  VAL  23          HG21      VAL  23  -8.114  10.648  -5.455
  166   HG22  VAL  23          HG22      VAL  23  -6.506  10.967  -6.125
  167   HG23  VAL  23          HG23      VAL  23  -6.928  11.519  -4.496
  168    H    GLU  24           HN       GLU  24  -8.808  10.881  -2.212
  169    HA   GLU  24           HA       GLU  24  -6.639  12.104  -0.673
  170    HB2  GLU  24           HB2      GLU  24  -8.337  13.808  -0.100
  171    HB3  GLU  24           HB1      GLU  24  -8.102  13.638  -1.835
  172    HG2  GLU  24           HG2      GLU  24 -10.197  12.904  -2.180
  173    HG3  GLU  24           HG1      GLU  24 -10.225  11.964  -0.690
  174    H    ASP  25           HN       ASP  25  -9.137   9.824  -0.356
  175    HA   ASP  25           HA       ASP  25  -9.767  10.485   2.387
  176    HB2  ASP  25           HB2      ASP  25 -11.415   9.676   0.615
  177    HB3  ASP  25           HB1      ASP  25 -10.728   8.084   0.850
  178    H    VAL  26           HN       VAL  26  -7.942   8.260   0.546
  179    HA   VAL  26           HA       VAL  26  -7.261   6.562   2.767
  180    HB   VAL  26           HB       VAL  26  -5.916   6.830   0.051
  181   HG11  VAL  26          HG11      VAL  26  -5.806   4.609   2.101
  182   HG12  VAL  26          HG12      VAL  26  -4.498   5.734   1.723
  183   HG13  VAL  26          HG13      VAL  26  -5.043   4.576   0.509
  184   HG21  VAL  26          HG21      VAL  26  -7.232   4.865  -0.587
  185   HG22  VAL  26          HG22      VAL  26  -8.264   6.232  -0.178
  186   HG23  VAL  26          HG23      VAL  26  -8.048   4.912   0.973
  187    H    LYS  27           HN       LYS  27  -6.606   7.937   4.273
  188    HA   LYS  27           HA       LYS  27  -4.215   9.557   3.828
  189    HB2  LYS  27           HB2      LYS  27  -6.104   9.423   6.186
  190    HB3  LYS  27           HB1      LYS  27  -4.822  10.607   5.945
  191    HG2  LYS  27           HG2      LYS  27  -5.965  11.530   4.040
  192    HG3  LYS  27           HG1      LYS  27  -7.208  10.282   4.140
  193    HD2  LYS  27           HD2      LYS  27  -7.801  11.129   6.385
  194    HD3  LYS  27           HD1      LYS  27  -6.629  12.431   6.167
  195    HE2  LYS  27           HE2      LYS  27  -9.015  11.895   4.404
  196    HE3  LYS  27           HE1      LYS  27  -8.923  13.141   5.646
  197    HZ1  LYS  27           HZ1      LYS  27  -8.510  14.075   3.475
  198    HZ2  LYS  27           HZ2      LYS  27  -7.268  12.993   3.175
  199    HZ3  LYS  27           HZ3      LYS  27  -7.089  14.158   4.390
  200    H    LEU  28           HN       LEU  28  -2.989   9.538   6.163
  201    HA   LEU  28           HA       LEU  28  -1.519   7.164   6.140
  202    HB2  LEU  28           HB2      LEU  28  -1.603   9.419   8.119
  203    HB3  LEU  28           HB1      LEU  28  -0.603   8.017   8.402
  204    HG   LEU  28           HG       LEU  28   0.730   9.812   7.542
  205   HD11  LEU  28          HD11      LEU  28   1.405   7.615   6.895
  206   HD12  LEU  28          HD12      LEU  28   1.761   8.764   5.605
  207   HD13  LEU  28          HD13      LEU  28   0.374   7.683   5.465
  208   HD21  LEU  28          HD21      LEU  28  -1.084   9.841   5.124
  209   HD22  LEU  28          HD22      LEU  28   0.417  10.753   5.286
  210   HD23  LEU  28          HD23      LEU  28  -0.949  11.111   6.343
  211    H    ASP  29           HN       ASP  29  -4.371   7.853   8.019
  212    HA   ASP  29           HA       ASP  29  -3.786   5.566   9.734
  213    HB2  ASP  29           HB2      ASP  29  -5.935   7.670   9.934
  214    HB3  ASP  29           HB1      ASP  29  -5.878   6.253  10.978
  215    H    LYS  30           HN       LYS  30  -4.622   5.433   6.901
  216    HA   LYS  30           HA       LYS  30  -7.030   3.815   7.100
  217    HB2  LYS  30           HB2      LYS  30  -5.271   4.749   4.869
  218    HB3  LYS  30           HB1      LYS  30  -6.333   3.375   4.636
  219    HG2  LYS  30           HG2      LYS  30  -7.328   6.064   5.555
  220    HG3  LYS  30           HG1      LYS  30  -7.169   5.634   3.849
  221    HD2  LYS  30           HD2      LYS  30  -8.583   3.598   4.386
  222    HD3  LYS  30           HD1      LYS  30  -8.925   4.372   5.934
  223    HE2  LYS  30           HE2      LYS  30  -9.418   5.683   3.279
  224    HE3  LYS  30           HE1      LYS  30 -10.634   4.705   4.090
  225    HZ1  LYS  30           HZ1      LYS  30 -10.891   7.081   4.410
  226    HZ2  LYS  30           HZ2      LYS  30  -9.405   7.182   5.225
  227    HZ3  LYS  30           HZ3      LYS  30 -10.686   6.297   5.887
  228    H    SER  31           HN       SER  31  -6.952   1.626   6.106
  229    HA   SER  31           HA       SER  31  -4.435   0.245   6.029
  230    HB2  SER  31           HB2      SER  31  -5.567  -1.619   7.365
  231    HB3  SER  31           HB1      SER  31  -5.106  -0.189   8.297
  232    HG   SER  31           HG       SER  31  -7.063  -0.169   8.868
  233    H    PHE  32           HN       PHE  32  -5.173  -2.146   5.043
  234    HA   PHE  32           HA       PHE  32  -6.670  -1.151   2.781
  235    HB2  PHE  32           HB2      PHE  32  -4.912  -3.555   3.114
  236    HB3  PHE  32           HB1      PHE  32  -5.817  -3.186   1.650
  237    HD1  PHE  32           HD1      PHE  32  -3.049  -2.154   3.818
  238    HD2  PHE  32           HD2      PHE  32  -5.129  -1.421   0.179
  239    HE1  PHE  32           HE1      PHE  32  -1.220  -0.696   3.066
  240    HE2  PHE  32           HE2      PHE  32  -3.304   0.035  -0.573
  241    HZ   PHE  32           HZ       PHE  32  -1.304   0.314   0.825
  242    H    THR  33           HN       THR  33  -6.816  -3.722   5.156
  243    HA   THR  33           HA       THR  33  -9.371  -4.278   3.909
  244    HB   THR  33           HB       THR  33  -8.029  -6.181   3.670
  245    HG1  THR  33           HG1      THR  33  -9.751  -7.259   4.124
  246   HG21  THR  33          HG21      THR  33  -7.509  -6.126   6.640
  247   HG22  THR  33          HG22      THR  33  -6.346  -5.784   5.362
  248   HG23  THR  33          HG23      THR  33  -6.994  -7.414   5.551
  249    H    ASP  34           HN       ASP  34  -8.105  -2.885   6.557
  250    HA   ASP  34           HA       ASP  34 -10.318  -3.716   8.258
  251    HB2  ASP  34           HB2      ASP  34  -8.010  -1.875   8.927
  252    HB3  ASP  34           HB1      ASP  34  -9.197  -2.507  10.063
  253    H    ASP  35           HN       ASP  35  -8.802  -0.707   7.208
  254    HA   ASP  35           HA       ASP  35 -11.262   0.707   7.755
  255    HB2  ASP  35           HB2      ASP  35  -8.753   1.566   8.007
  256    HB3  ASP  35           HB1      ASP  35  -8.974   1.958   6.319
  257    H    LEU  36           HN       LEU  36  -9.437  -0.404   4.908
  258    HA   LEU  36           HA       LEU  36 -11.224   1.048   3.167
  259    HB2  LEU  36           HB2      LEU  36  -8.862  -0.713   2.587
  260    HB3  LEU  36           HB1      LEU  36  -9.896  -0.074   1.327
  261    HG   LEU  36           HG       LEU  36  -8.289   1.586   3.264
  262   HD11  LEU  36          HD11      LEU  36  -7.863   1.001   0.332
  263   HD12  LEU  36          HD12      LEU  36  -6.873   0.397   1.660
  264   HD13  LEU  36          HD13      LEU  36  -6.921   2.123   1.312
  265   HD21  LEU  36          HD21      LEU  36  -9.934   2.302   0.872
  266   HD22  LEU  36          HD22      LEU  36  -8.978   3.436   1.858
  267   HD23  LEU  36          HD23      LEU  36 -10.362   2.568   2.560
  268    H    ASP  37           HN       ASP  37 -12.030  -0.138   1.222
  269    HA   ASP  37           HA       ASP  37 -13.660  -2.347   2.212
  270    HB2  ASP  37           HB2      ASP  37 -13.930  -0.597  -0.237
  271    HB3  ASP  37           HB1      ASP  37 -14.951  -1.999   0.051
  272    H    VAL  38           HN       VAL  38 -10.824  -2.421   1.269
  273    HA   VAL  38           HA       VAL  38 -10.893  -4.193  -1.009
  274    HB   VAL  38           HB       VAL  38  -8.605  -3.511   0.874
  275   HG11  VAL  38          HG11      VAL  38  -7.151  -4.308  -0.932
  276   HG12  VAL  38          HG12      VAL  38  -8.575  -4.752  -1.874
  277   HG13  VAL  38          HG13      VAL  38  -8.232  -5.578  -0.354
  278   HG21  VAL  38          HG21      VAL  38  -9.422  -1.503  -0.224
  279   HG22  VAL  38          HG22      VAL  38  -9.303  -2.293  -1.794
  280   HG23  VAL  38          HG23      VAL  38  -7.842  -1.958  -0.860
  281    H    ASP  39           HN       ASP  39 -11.278  -6.225  -0.786
  282    HA   ASP  39           HA       ASP  39 -11.996  -7.636   1.502
  283    HB2  ASP  39           HB2      ASP  39 -10.758  -8.686  -1.039
  284    HB3  ASP  39           HB1      ASP  39 -11.449  -9.699   0.217
  285    H    SER  40           HN       SER  40  -9.096  -8.318  -0.206
  286    HA   SER  40           HA       SER  40  -7.038  -7.625   1.279
  287    HB2  SER  40           HB2      SER  40  -6.403  -9.584   2.712
  288    HB3  SER  40           HB1      SER  40  -7.832  -8.721   3.288
  289    H    LEU  41           HN       LEU  41  -8.279 -10.673   0.053
  290    HA   LEU  41           HA       LEU  41  -5.913 -11.587  -1.121
  291    HB2  LEU  41           HB2      LEU  41  -8.780 -12.054  -2.008
  292    HB3  LEU  41           HB1      LEU  41  -7.426 -12.856  -2.752
  293    HG   LEU  41           HG       LEU  41  -6.962 -14.015  -0.588
  294   HD11  LEU  41          HD11      LEU  41  -9.530 -12.723   0.317
  295   HD12  LEU  41          HD12      LEU  41  -7.917 -12.478   1.017
  296   HD13  LEU  41          HD13      LEU  41  -8.704 -14.042   1.137
  297   HD21  LEU  41          HD21      LEU  41  -8.275 -15.088  -2.308
  298   HD22  LEU  41          HD22      LEU  41  -9.742 -14.341  -1.679
  299   HD23  LEU  41          HD23      LEU  41  -8.871 -15.529  -0.707
  300    H    SER  42           HN       SER  42  -8.348  -9.419  -2.164
  301    HA   SER  42           HA       SER  42  -7.613  -8.876  -4.793
  302    HB2  SER  42           HB2      SER  42  -9.792  -8.390  -3.801
  303    HB3  SER  42           HB1      SER  42  -9.055  -7.208  -2.729
  304    HG   SER  42           HG       SER  42  -9.198  -7.105  -5.559
  305    H    MET  43           HN       MET  43  -6.266  -7.662  -1.740
  306    HA   MET  43           HA       MET  43  -5.127  -5.241  -2.809
  307    HB2  MET  43           HB2      MET  43  -5.546  -5.632  -0.348
  308    HB3  MET  43           HB1      MET  43  -4.167  -6.725  -0.361
  309    HG2  MET  43           HG2      MET  43  -2.912  -4.703  -1.409
  310    HG3  MET  43           HG1      MET  43  -4.229  -3.759  -0.728
  311    HE1  MET  43           HE1      MET  43  -1.072  -5.925  -0.070
  312    HE2  MET  43           HE2      MET  43  -2.345  -6.968   0.579
  313    HE3  MET  43           HE3      MET  43  -1.183  -6.232   1.667
  314    H    VAL  44           HN       VAL  44  -4.247  -8.480  -2.897
  315    HA   VAL  44           HA       VAL  44  -1.473  -8.274  -3.051
  316    HB   VAL  44           HB       VAL  44  -3.216 -10.335  -4.439
  317   HG11  VAL  44          HG11      VAL  44  -0.337 -10.503  -3.544
  318   HG12  VAL  44          HG12      VAL  44  -0.907 -10.419  -5.210
  319   HG13  VAL  44          HG13      VAL  44  -1.285 -11.828  -4.221
  320   HG21  VAL  44          HG21      VAL  44  -2.120 -10.309  -1.611
  321   HG22  VAL  44          HG22      VAL  44  -2.928 -11.675  -2.373
  322   HG23  VAL  44          HG23      VAL  44  -3.799 -10.177  -2.098
  323    H    GLU  45           HN       GLU  45  -3.901  -7.509  -5.456
  324    HA   GLU  45           HA       GLU  45  -2.023  -7.314  -7.627
  325    HB2  GLU  45           HB2      GLU  45  -4.806  -6.177  -7.325
  326    HB3  GLU  45           HB1      GLU  45  -3.858  -6.114  -8.800
  327    HG2  GLU  45           HG2      GLU  45  -3.824  -8.582  -8.839
  328    HG3  GLU  45           HG1      GLU  45  -4.876  -8.582  -7.421
  329    H    VAL  46           HN       VAL  46  -3.123  -5.305  -5.096
  330    HA   VAL  46           HA       VAL  46  -2.289  -2.782  -6.161
  331    HB   VAL  46           HB       VAL  46  -2.799  -3.585  -3.278
  332   HG11  VAL  46          HG11      VAL  46  -3.133  -1.189  -2.869
  333   HG12  VAL  46          HG12      VAL  46  -2.684  -0.849  -4.541
  334   HG13  VAL  46          HG13      VAL  46  -1.496  -1.538  -3.435
  335   HG21  VAL  46          HG21      VAL  46  -4.764  -3.963  -4.643
  336   HG22  VAL  46          HG22      VAL  46  -4.645  -2.329  -5.296
  337   HG23  VAL  46          HG23      VAL  46  -5.017  -2.571  -3.584
  338    H    VAL  47           HN       VAL  47  -1.079  -4.904  -3.600
  339    HA   VAL  47           HA       VAL  47   1.226  -3.434  -3.060
  340    HB   VAL  47           HB       VAL  47   0.370  -5.115  -1.495
  341   HG11  VAL  47          HG11      VAL  47  -0.270  -6.876  -2.999
  342   HG12  VAL  47          HG12      VAL  47   0.830  -7.500  -1.769
  343   HG13  VAL  47          HG13      VAL  47   1.417  -7.188  -3.403
  344   HG21  VAL  47          HG21      VAL  47   3.228  -5.619  -2.306
  345   HG22  VAL  47          HG22      VAL  47   2.509  -6.075  -0.760
  346   HG23  VAL  47          HG23      VAL  47   2.648  -4.373  -1.200
  347    H    VAL  48           HN       VAL  48   0.812  -6.006  -5.470
  348    HA   VAL  48           HA       VAL  48   3.573  -6.122  -6.071
  349    HB   VAL  48           HB       VAL  48   1.954  -7.965  -6.618
  350   HG11  VAL  48          HG11      VAL  48   0.678  -7.902  -8.698
  351   HG12  VAL  48          HG12      VAL  48   1.097  -6.200  -8.888
  352   HG13  VAL  48          HG13      VAL  48   0.116  -6.717  -7.517
  353   HG21  VAL  48          HG21      VAL  48   2.990  -8.615  -8.749
  354   HG22  VAL  48          HG22      VAL  48   4.164  -7.996  -7.586
  355   HG23  VAL  48          HG23      VAL  48   3.624  -6.978  -8.920
  356    H    ALA  49           HN       ALA  49   0.974  -4.109  -7.179
  357    HA   ALA  49           HA       ALA  49   2.479  -2.943  -9.324
  358    HB1  ALA  49           HB1      ALA  49   0.030  -3.050  -9.420
  359    HB2  ALA  49           HB2      ALA  49   0.593  -1.378  -9.489
  360    HB3  ALA  49           HB3      ALA  49  -0.077  -2.024  -7.990
  361    H    ALA  50           HN       ALA  50   1.911  -2.330  -5.966
  362    HA   ALA  50           HA       ALA  50   2.809   0.318  -5.875
  363    HB1  ALA  50           HB1      ALA  50   2.964  -1.754  -3.681
  364    HB2  ALA  50           HB2      ALA  50   1.566  -0.744  -4.042
  365    HB3  ALA  50           HB3      ALA  50   3.059  -0.004  -3.468
  366    H    GLU  51           HN       GLU  51   4.548  -2.721  -5.767
  367    HA   GLU  51           HA       GLU  51   7.060  -1.848  -4.950
  368    HB2  GLU  51           HB2      GLU  51   6.464  -3.986  -7.003
  369    HB3  GLU  51           HB1      GLU  51   8.001  -3.762  -6.191
  370    HG2  GLU  51           HG2      GLU  51   6.845  -4.221  -4.033
  371    HG3  GLU  51           HG1      GLU  51   5.391  -4.597  -4.956
  372    H    GLU  52           HN       GLU  52   5.740  -1.942  -8.235
  373    HA   GLU  52           HA       GLU  52   8.084  -0.761  -9.361
  374    HB2  GLU  52           HB2      GLU  52   6.613  -0.549 -11.435
  375    HB3  GLU  52           HB1      GLU  52   6.921  -2.173 -10.839
  376    HG2  GLU  52           HG2      GLU  52   4.769  -2.333  -9.895
  377    HG3  GLU  52           HG1      GLU  52   4.436  -0.629 -10.137
  378    H    ARG  53           HN       ARG  53   4.973   0.472  -8.305
  379    HA   ARG  53           HA       ARG  53   5.132   3.001  -9.539
  380    HB2  ARG  53           HB2      ARG  53   3.627   2.181  -7.059
  381    HB3  ARG  53           HB1      ARG  53   3.426   3.724  -7.879
  382    HG2  ARG  53           HG2      ARG  53   2.954   1.050  -9.161
  383    HG3  ARG  53           HG1      ARG  53   1.698   2.034  -8.413
  384    HD2  ARG  53           HD2      ARG  53   3.462   3.024 -10.636
  385    HD3  ARG  53           HD1      ARG  53   1.927   2.209 -10.919
  386    HE   ARG  53           HE       ARG  53   2.109   4.679  -9.314
  387   HH11  ARG  53          HH11      ARG  53   0.747   2.835 -12.013
  388   HH12  ARG  53          HH12      ARG  53  -0.509   3.944 -12.348
  389   HH21  ARG  53          HH21      ARG  53   0.430   6.275  -9.809
  390   HH22  ARG  53          HH22      ARG  53  -0.686   5.956 -11.048
  391    H    PHE  54           HN       PHE  54   6.162   1.962  -6.325
  392    HA   PHE  54           HA       PHE  54   7.022   4.700  -5.791
  393    HB2  PHE  54           HB2      PHE  54   6.842   2.361  -3.904
  394    HB3  PHE  54           HB1      PHE  54   7.202   4.034  -3.468
  395    HD1  PHE  54           HD2      PHE  54   5.450   5.771  -4.294
  396    HD2  PHE  54           HD1      PHE  54   4.700   1.634  -3.754
  397    HE1  PHE  54           HE2      PHE  54   3.051   6.226  -4.145
  398    HE2  PHE  54           HE1      PHE  54   2.296   2.083  -3.617
  399    HZ   PHE  54           HZ       PHE  54   1.479   4.373  -3.809
  400    H    ASP  55           HN       ASP  55   8.364   2.232  -7.272
  401    HA   ASP  55           HA       ASP  55  10.429   1.388  -7.617
  402    HB2  ASP  55           HB2      ASP  55  10.994   3.737  -8.123
  403    HB3  ASP  55           HB1      ASP  55  11.296   4.042  -6.418
  404    H    VAL  56           HN       VAL  56   9.629  -0.067  -5.901
  405    HA   VAL  56           HA       VAL  56  11.602  -0.242  -3.807
  406    HB   VAL  56           HB       VAL  56   9.655   1.131  -2.952
  407   HG11  VAL  56          HG11      VAL  56   7.821   0.138  -4.050
  408   HG12  VAL  56          HG12      VAL  56   7.570   0.044  -2.307
  409   HG13  VAL  56          HG13      VAL  56   8.076  -1.389  -3.202
  410   HG21  VAL  56          HG21      VAL  56   9.422  -0.015  -0.767
  411   HG22  VAL  56          HG22      VAL  56  11.091   0.040  -1.333
  412   HG23  VAL  56          HG23      VAL  56  10.161  -1.453  -1.475
  413    H    LYS  57           HN       LYS  57  10.573  -2.394  -2.456
  414    HA   LYS  57           HA       LYS  57   9.635  -4.397  -4.272
  415    HB2  LYS  57           HB2      LYS  57  12.097  -4.408  -4.617
  416    HB3  LYS  57           HB1      LYS  57  12.333  -4.556  -2.888
  417    HG2  LYS  57           HG2      LYS  57  11.320  -6.763  -2.920
  418    HG3  LYS  57           HG1      LYS  57  11.011  -6.608  -4.653
  419    HD2  LYS  57           HD2      LYS  57  13.395  -6.458  -5.091
  420    HD3  LYS  57           HD1      LYS  57  13.738  -6.508  -3.363
  421    HE2  LYS  57           HE2      LYS  57  14.133  -8.678  -4.373
  422    HE3  LYS  57           HE1      LYS  57  12.783  -8.756  -3.245
  423    HZ1  LYS  57           HZ1      LYS  57  12.333  -9.973  -5.238
  424    HZ2  LYS  57           HZ2      LYS  57  12.610  -8.653  -6.211
  425    HZ3  LYS  57           HZ3      LYS  57  11.259  -8.674  -5.160
  426    H    ILE  58           HN       ILE  58   8.364  -5.697  -3.105
  427    HA   ILE  58           HA       ILE  58   8.547  -5.551  -0.174
  428    HB   ILE  58           HB       ILE  58   5.949  -5.395  -1.755
  429   HG12  ILE  58          HG12      ILE  58   7.305  -3.216  -0.130
  430   HG13  ILE  58          HG11      ILE  58   7.272  -3.280  -1.885
  431   HG21  ILE  58          HG21      ILE  58   5.714  -6.546   0.383
  432   HG22  ILE  58          HG22      ILE  58   4.911  -4.977   0.434
  433   HG23  ILE  58          HG23      ILE  58   6.480  -5.190   1.213
  434   HD11  ILE  58          HD11      ILE  58   5.633  -1.706  -1.024
  435   HD12  ILE  58          HD12      ILE  58   4.882  -2.988  -0.075
  436   HD13  ILE  58          HD13      ILE  58   4.832  -3.053  -1.835
  437    HA   PRO  59           HA       PRO  59   8.319  -9.948  -1.124
  438    HB2  PRO  59           HB2      PRO  59   8.708 -10.338   1.741
  439    HB3  PRO  59           HB1      PRO  59   9.787 -10.770   0.413
  440    HG2  PRO  59           HG2      PRO  59  10.342  -8.800   2.194
  441    HG3  PRO  59           HG1      PRO  59  10.922  -8.786   0.517
  442    HD2  PRO  59           HD2      PRO  59   8.630  -7.316   1.747
  443    HD3  PRO  59           HD1      PRO  59   9.808  -6.760   0.541
  444    H    ASP  60           HN       ASP  60   6.578 -11.200  -1.092
  445    HA   ASP  60           HA       ASP  60   4.100 -10.450  -0.026
  446    HB2  ASP  60           HB2      ASP  60   4.242 -12.017  -1.873
  447    HB3  ASP  60           HB1      ASP  60   5.075 -13.188  -0.863
  448    H    ASP  61           HN       ASP  61   6.632 -12.315   1.339
  449    HA   ASP  61           HA       ASP  61   5.430 -13.390   3.638
  450    HB2  ASP  61           HB2      ASP  61   8.234 -12.294   3.309
  451    HB3  ASP  61           HB1      ASP  61   7.688 -13.219   4.699
  452    H    ASP  62           HN       ASP  62   6.903 -10.234   3.065
  453    HA   ASP  62           HA       ASP  62   6.464  -9.413   5.785
  454    HB2  ASP  62           HB2      ASP  62   8.489  -8.782   4.373
  455    HB3  ASP  62           HB1      ASP  62   7.433  -7.656   3.532
  456    H    VAL  63           HN       VAL  63   4.837  -9.176   2.794
  457    HA   VAL  63           HA       VAL  63   3.128  -6.996   3.177
  458    HB   VAL  63           HB       VAL  63   2.497  -9.688   1.897
  459   HG11  VAL  63          HG11      VAL  63   1.006  -7.079   1.654
  460   HG12  VAL  63          HG12      VAL  63   0.430  -8.529   2.471
  461   HG13  VAL  63          HG13      VAL  63   0.678  -8.540   0.723
  462   HG21  VAL  63          HG21      VAL  63   4.333  -8.523   0.825
  463   HG22  VAL  63          HG22      VAL  63   3.350  -7.067   0.683
  464   HG23  VAL  63          HG23      VAL  63   2.907  -8.521  -0.215
  465    H    LYS  64           HN       LYS  64   2.888 -10.314   4.335
  466    HA   LYS  64           HA       LYS  64   0.426  -9.862   5.719
  467    HB2  LYS  64           HB2      LYS  64   2.369 -12.165   5.770
  468    HB3  LYS  64           HB1      LYS  64   0.886 -12.144   6.714
  469    HG2  LYS  64           HG2      LYS  64  -0.430 -11.953   4.663
  470    HG3  LYS  64           HG1      LYS  64   1.052 -11.949   3.710
  471    HD2  LYS  64           HD2      LYS  64   0.222 -14.206   5.534
  472    HD3  LYS  64           HD1      LYS  64  -0.135 -14.152   3.809
  473    HE2  LYS  64           HE2      LYS  64   2.640 -14.047   4.988
  474    HE3  LYS  64           HE1      LYS  64   1.869 -15.512   4.392
  475    HZ1  LYS  64           HZ1      LYS  64   2.539 -13.106   2.724
  476    HZ2  LYS  64           HZ2      LYS  64   1.728 -14.476   2.192
  477    HZ3  LYS  64           HZ3      LYS  64   3.307 -14.613   2.720
  478    H    ASN  65           HN       ASN  65   3.533  -8.980   6.406
  479    HA   ASN  65           HA       ASN  65   3.299  -9.136   9.314
  480    HB2  ASN  65           HB2      ASN  65   5.477  -9.656   8.300
  481    HB3  ASN  65           HB1      ASN  65   5.499  -8.088   7.510
  482   HD21  ASN  65          HD21      ASN  65   7.381  -7.511   8.418
  483   HD22  ASN  65          HD22      ASN  65   7.584  -7.078  10.087
  484    H    LEU  66           HN       LEU  66   3.003  -6.888   6.655
  485    HA   LEU  66           HA       LEU  66   3.031  -4.510   8.305
  486    HB2  LEU  66           HB2      LEU  66   2.236  -4.944   5.418
  487    HB3  LEU  66           HB1      LEU  66   2.405  -3.383   6.201
  488    HG   LEU  66           HG       LEU  66   4.639  -5.356   5.691
  489   HD11  LEU  66          HD11      LEU  66   5.475  -3.651   4.152
  490   HD12  LEU  66          HD12      LEU  66   4.011  -2.706   4.430
  491   HD13  LEU  66          HD13      LEU  66   3.909  -4.298   3.664
  492   HD21  LEU  66          HD21      LEU  66   4.730  -2.591   6.892
  493   HD22  LEU  66          HD22      LEU  66   6.130  -3.584   6.482
  494   HD23  LEU  66          HD23      LEU  66   5.016  -4.106   7.745
  495    H    LYS  67           HN       LYS  67   1.160  -3.008   8.041
  496    HA   LYS  67           HA       LYS  67  -1.363  -4.447   8.225
  497    HB2  LYS  67           HB2      LYS  67  -1.684  -2.890  10.453
  498    HB3  LYS  67           HB1      LYS  67  -1.231  -4.589  10.456
  499    HG2  LYS  67           HG2      LYS  67   1.157  -3.904  10.509
  500    HG3  LYS  67           HG1      LYS  67   0.638  -2.226  10.609
  501    HD2  LYS  67           HD2      LYS  67  -0.262  -2.502  12.750
  502    HD3  LYS  67           HD1      LYS  67  -0.306  -4.256  12.605
  503    HE2  LYS  67           HE2      LYS  67   1.486  -3.555  14.114
  504    HE3  LYS  67           HE1      LYS  67   2.133  -4.349  12.688
  505    HZ1  LYS  67           HZ1      LYS  67   2.709  -2.103  11.803
  506    HZ2  LYS  67           HZ2      LYS  67   3.460  -2.468  13.224
  507    HZ3  LYS  67           HZ3      LYS  67   2.152  -1.407  13.242
  508    H    THR  68           HN       THR  68  -0.656  -1.060   9.164
  509    HA   THR  68           HA       THR  68  -2.980  -0.326   7.580
  510    HB   THR  68           HB       THR  68  -2.683   1.879   8.680
  511    HG1  THR  68           HG1      THR  68  -1.041   2.243   9.999
  512   HG21  THR  68          HG21      THR  68  -4.067   0.183   9.821
  513   HG22  THR  68          HG22      THR  68  -3.183   1.162  10.986
  514   HG23  THR  68          HG23      THR  68  -2.623  -0.462  10.597
  515    H    VAL  69           HN       VAL  69  -2.588   2.039   6.552
  516    HA   VAL  69           HA       VAL  69  -0.467   1.627   4.642
  517    HB   VAL  69           HB       VAL  69  -1.211   3.706   3.538
  518   HG11  VAL  69          HG11      VAL  69  -3.502   1.879   4.252
  519   HG12  VAL  69          HG12      VAL  69  -2.344   1.640   2.943
  520   HG13  VAL  69          HG13      VAL  69  -3.469   2.996   2.889
  521   HG21  VAL  69          HG21      VAL  69  -3.202   3.893   5.778
  522   HG22  VAL  69          HG22      VAL  69  -3.175   4.904   4.339
  523   HG23  VAL  69          HG23      VAL  69  -1.837   4.974   5.491
  524    H    GLY  70           HN       GLY  70  -0.837   3.147   7.608
  525    HA2  GLY  70           HA2      GLY  70   1.351   5.016   7.281
  526    HA3  GLY  70           HA1      GLY  70   0.468   4.678   8.773
  527    H    ASP  71           HN       ASP  71   0.789   1.804   8.178
  528    HA   ASP  71           HA       ASP  71   3.340   1.364   9.445
  529    HB2  ASP  71           HB2      ASP  71   1.407  -0.012  10.103
  530    HB3  ASP  71           HB1      ASP  71   1.233  -0.551   8.438
  531    H    ALA  72           HN       ALA  72   1.749   0.587   6.404
  532    HA   ALA  72           HA       ALA  72   3.802  -0.837   5.186
  533    HB1  ALA  72           HB1      ALA  72   1.669   0.830   3.855
  534    HB2  ALA  72           HB2      ALA  72   1.488  -0.841   4.384
  535    HB3  ALA  72           HB3      ALA  72   2.617  -0.444   3.089
  536    H    THR  73           HN       THR  73   3.122   2.636   5.223
  537    HA   THR  73           HA       THR  73   4.883   3.488   3.312
  538    HB   THR  73           HB       THR  73   5.032   5.492   5.084
  539    HG1  THR  73           HG1      THR  73   2.487   4.547   5.634
  540   HG21  THR  73          HG21      THR  73   3.024   6.404   4.010
  541   HG22  THR  73          HG22      THR  73   2.673   4.802   3.335
  542   HG23  THR  73          HG23      THR  73   4.155   5.669   2.885
  543    H    LYS  74           HN       LYS  74   5.408   2.881   6.742
  544    HA   LYS  74           HA       LYS  74   7.985   3.844   7.011
  545    HB2  LYS  74           HB2      LYS  74   6.581   3.217   8.907
  546    HB3  LYS  74           HB1      LYS  74   6.657   1.528   8.433
  547    HG2  LYS  74           HG2      LYS  74   9.017   1.456   8.936
  548    HG3  LYS  74           HG1      LYS  74   9.023   3.183   9.290
  549    HD2  LYS  74           HD2      LYS  74   7.432   1.103  10.796
  550    HD3  LYS  74           HD1      LYS  74   8.969   1.779  11.330
  551    HE2  LYS  74           HE2      LYS  74   6.382   3.289  10.910
  552    HE3  LYS  74           HE1      LYS  74   7.119   2.887  12.459
  553    HZ1  LYS  74           HZ1      LYS  74   9.056   4.269  11.759
  554    HZ2  LYS  74           HZ2      LYS  74   7.628   5.162  11.919
  555    HZ3  LYS  74           HZ3      LYS  74   8.179   4.773  10.404
  556    H    TYR  75           HN       TYR  75   6.877   0.732   5.799
  557    HA   TYR  75           HA       TYR  75   9.572  -0.234   5.538
  558    HB2  TYR  75           HB2      TYR  75   7.915  -1.929   5.953
  559    HB3  TYR  75           HB1      TYR  75   6.949  -1.401   4.575
  560    HD1  TYR  75           HD1      TYR  75  10.480  -2.476   5.217
  561    HD2  TYR  75           HD2      TYR  75   7.056  -2.749   2.718
  562    HE1  TYR  75           HE1      TYR  75  11.629  -4.145   3.824
  563    HE2  TYR  75           HE2      TYR  75   8.199  -4.407   1.323
  564    HH   TYR  75           HH       TYR  75  11.097  -5.933   2.293
  565    H    ILE  76           HN       ILE  76   7.050   0.808   3.292
  566    HA   ILE  76           HA       ILE  76   8.412   0.444   0.879
  567    HB   ILE  76           HB       ILE  76   6.383   2.582   1.584
  568   HG12  ILE  76          HG12      ILE  76   6.000  -0.096   0.244
  569   HG13  ILE  76          HG11      ILE  76   5.690   0.217   1.950
  570   HG21  ILE  76          HG21      ILE  76   5.936   2.687  -0.833
  571   HG22  ILE  76          HG22      ILE  76   7.250   1.551  -1.128
  572   HG23  ILE  76          HG23      ILE  76   7.601   3.148  -0.469
  573   HD11  ILE  76          HD11      ILE  76   4.047   1.854   1.359
  574   HD12  ILE  76          HD12      ILE  76   3.645   0.269   0.668
  575   HD13  ILE  76          HD13      ILE  76   4.330   1.552  -0.357
  576    H    LEU  77           HN       LEU  77   8.096   3.444   2.754
  577    HA   LEU  77           HA       LEU  77   9.718   5.083   1.212
  578    HB2  LEU  77           HB2      LEU  77   8.161   5.918   2.817
  579    HB3  LEU  77           HB1      LEU  77   9.043   5.086   4.078
  580    HG   LEU  77           HG       LEU  77  10.940   6.633   3.758
  581   HD11  LEU  77          HD11      LEU  77  10.626   8.663   2.424
  582   HD12  LEU  77          HD12      LEU  77   9.097   8.005   1.824
  583   HD13  LEU  77          HD13      LEU  77  10.613   7.197   1.440
  584   HD21  LEU  77          HD21      LEU  77   8.300   7.993   4.280
  585   HD22  LEU  77          HD22      LEU  77   9.887   8.588   4.774
  586   HD23  LEU  77          HD23      LEU  77   9.253   7.086   5.453
  587    H    ASP  78           HN       ASP  78  10.538   2.725   3.604
  588    HA   ASP  78           HA       ASP  78  13.226   3.845   3.904
  589    HB2  ASP  78           HB2      ASP  78  12.140   2.938   5.916
  590    HB3  ASP  78           HB1      ASP  78  12.115   1.340   5.177
  591    H    HIS  79           HN       HIS  79  11.702   1.125   2.397
  592    HA   HIS  79           HA       HIS  79  14.250  -0.083   1.730
  593    HB2  HIS  79           HB2      HIS  79  12.246  -1.440   2.397
  594    HB3  HIS  79           HB1      HIS  79  11.457  -0.938   0.916
  595    HD1  HIS  79           HD1      HIS  79  13.787  -3.484   2.281
  596    HD2  HIS  79           HD2      HIS  79  12.616  -2.104  -1.464
  597    HE1  HIS  79           HE1      HIS  79  14.532  -5.202   0.661
  598    HE2  HIS  79           HE2      HIS  79  14.170  -4.124  -1.572
  599    H    GLN  80           HN       GLN  80  12.326   2.308   0.371
  600    HA   GLN  80           HA       GLN  80  12.964   1.635  -2.394
  601    HB2  GLN  80           HB2      GLN  80  11.607   3.493  -3.026
  602    HB3  GLN  80           HB1      GLN  80  10.754   2.623  -1.763
  603    HG2  GLN  80           HG2      GLN  80  11.423   4.289  -0.129
  604    HG3  GLN  80           HG1      GLN  80  12.359   5.136  -1.360
  605   HE21  GLN  80          HE21      GLN  80   9.267   3.664  -1.914
  606   HE22  GLN  80          HE22      GLN  80   8.417   5.137  -2.201
  607    H    ALA  81           HN       ALA  81  13.561   3.872  -3.652
  608    HA   ALA  81           HA       ALA  81  15.894   4.952  -2.269
  609    HB1  ALA  81           HB1      ALA  81  16.830   5.379  -4.493
  610    HB2  ALA  81           HB2      ALA  81  15.391   4.666  -5.230
  611    HB3  ALA  81           HB3      ALA  81  16.476   3.667  -4.264
  612    H28  SXO 101          H28B      SXO 101  -5.866 -11.600   4.564
  613   H28A  SXO 101          H28A      SXO 101  -5.884 -11.866   2.818
  614    H30  SXO 101          H30A      SXO 101  -5.188 -14.964   5.571
  615   H30A  SXO 101          H30C      SXO 101  -5.401 -13.263   6.021
  616   H30B  SXO 101          H30B      SXO 101  -6.783 -14.184   5.398
  617    H31  SXO 101          H31A      SXO 101  -6.838 -14.790   3.046
  618   H31A  SXO 101          H31B      SXO 101  -5.222 -15.516   3.080
  619   H31B  SXO 101          H31C      SXO 101  -5.583 -14.192   1.958
  620    H32  SXO 101          H32A      SXO 101  -3.515 -12.650   4.704
  621   HO33  SXO 101          H33A      SXO 101  -2.597 -14.673   3.357
  622   HN36  SXO 101          H36A      SXO 101  -4.329 -11.201   2.817
  623    H37  SXO 101          H37A      SXO 101  -2.635 -11.627   0.439
  624   H37A  SXO 101          H37B      SXO 101  -4.228 -10.895   0.388
  625    H38  SXO 101          H38B      SXO 101  -2.569  -9.154   0.240
  626   H38A  SXO 101          H38A      SXO 101  -1.787  -9.749   1.708
  627   HN41  SXO 101          H41A      SXO 101  -2.871  -9.601   3.669
  628    H42  SXO 101          H42A      SXO 101  -3.921  -7.089   4.219
  629   H42A  SXO 101          H42B      SXO 101  -5.234  -8.204   4.276
  630    H43  SXO 101          H43B      SXO 101  -4.292  -8.078   6.449
  631   H43A  SXO 101          H43A      SXO 101  -3.792  -9.637   5.737
  632    H2   SXO 101           H2A      SXO 101  -0.400  -6.259   4.808
  633    H2A  SXO 101           H2B      SXO 101  -0.592  -5.087   6.104
  634    H3   SXO 101           H3B      SXO 101  -2.046  -5.022   3.475
  635    H3A  SXO 101           H3A      SXO 101  -2.237  -3.870   4.793
  636    H4   SXO 101           H4A      SXO 101   0.147  -3.257   4.561
  637    H4A  SXO 101           H4B      SXO 101  -0.777  -2.943   3.093
  638    H5   SXO 101           H5B      SXO 101   1.136  -5.216   3.602
  639    H5A  SXO 101           H5A      SXO 101   0.038  -5.161   2.226
  640    H6   SXO 101           H6A      SXO 101   2.309  -4.342   1.673
  641    H6A  SXO 101           H6B      SXO 101   2.100  -3.050   2.864
  642    H7   SXO 101           H7A      SXO 101   0.184  -2.185   1.605
  643    H7A  SXO 101           H7B      SXO 101   0.399  -3.473   0.404
  644    H8   SXO 101           H8C      SXO 101   2.408  -1.336   1.110
  645    H8A  SXO 101           H8A      SXO 101   1.408  -1.374  -0.340
  646    H8B  SXO 101           H8B      SXO 101   2.637  -2.611  -0.089
  Start of MODEL    7
    1    H1   ALA   1           HT1      ALA   1  13.264   7.604  -4.494
    2    H2   ALA   1           HT2      ALA   1  12.145   7.798  -3.255
    3    H3   ALA   1           HT3      ALA   1  12.732   9.139  -4.051
    4    HA   ALA   1           HA       ALA   1  11.751   8.457  -6.115
    5    HB1  ALA   1           HB1      ALA   1  11.727   6.042  -5.669
    6    HB2  ALA   1           HB2      ALA   1  10.144   6.629  -6.182
    7    HB3  ALA   1           HB3      ALA   1  10.447   6.282  -4.479
    8    H    ALA   2           HN       ALA   2   9.487   7.689  -3.438
    9    HA   ALA   2           HA       ALA   2   8.254  10.306  -3.910
   10    HB1  ALA   2           HB1      ALA   2   6.849   8.470  -4.733
   11    HB2  ALA   2           HB2      ALA   2   6.117   9.231  -3.322
   12    HB3  ALA   2           HB3      ALA   2   6.947   7.682  -3.158
   13    H    THR   3           HN       THR   3   6.766  10.688  -1.766
   14    HA   THR   3           HA       THR   3   8.463   9.945   0.473
   15    HB   THR   3           HB       THR   3   6.963  12.604   0.366
   16    HG1  THR   3           HG1      THR   3   8.442  12.483  -1.396
   17   HG21  THR   3          HG21      THR   3   9.352  11.617   1.944
   18   HG22  THR   3          HG22      THR   3   7.769  12.088   2.606
   19   HG23  THR   3          HG23      THR   3   8.832  13.291   1.901
   20    H    GLN   4           HN       GLN   4   6.970  10.510   2.679
   21    HA   GLN   4           HA       GLN   4   5.452   8.329   3.042
   22    HB2  GLN   4           HB2      GLN   4   6.206   9.937   4.755
   23    HB3  GLN   4           HB1      GLN   4   4.851  10.967   4.325
   24    HG2  GLN   4           HG2      GLN   4   3.315   9.130   4.926
   25    HG3  GLN   4           HG1      GLN   4   4.711   8.188   5.455
   26   HE21  GLN   4          HE21      GLN   4   6.045  10.626   6.467
   27   HE22  GLN   4          HE22      GLN   4   5.214  11.017   7.925
   28    H    GLU   5           HN       GLU   5   3.970  11.504   2.253
   29    HA   GLU   5           HA       GLU   5   1.359  10.322   2.271
   30    HB2  GLU   5           HB2      GLU   5   1.809  12.705   2.933
   31    HB3  GLU   5           HB1      GLU   5   2.156  13.054   1.241
   32    HG2  GLU   5           HG2      GLU   5  -0.119  12.352   0.653
   33    HG3  GLU   5           HG1      GLU   5  -0.455  12.073   2.358
   34    H    GLU   6           HN       GLU   6   3.784  11.075  -0.045
   35    HA   GLU   6           HA       GLU   6   2.153  10.811  -2.373
   36    HB2  GLU   6           HB2      GLU   6   5.131  10.420  -2.123
   37    HB3  GLU   6           HB1      GLU   6   4.240  10.736  -3.605
   38    HG2  GLU   6           HG2      GLU   6   4.632  12.603  -1.285
   39    HG3  GLU   6           HG1      GLU   6   5.341  12.734  -2.894
   40    H    ILE   7           HN       ILE   7   4.072   8.675  -0.394
   41    HA   ILE   7           HA       ILE   7   3.963   6.388  -1.919
   42    HB   ILE   7           HB       ILE   7   3.914   6.701   1.081
   43   HG12  ILE   7          HG12      ILE   7   5.951   7.563   0.061
   44   HG13  ILE   7          HG11      ILE   7   6.310   6.113   0.991
   45   HG21  ILE   7          HG21      ILE   7   4.421   4.165  -0.490
   46   HG22  ILE   7          HG22      ILE   7   3.034   4.495   0.547
   47   HG23  ILE   7          HG23      ILE   7   4.640   4.336   1.253
   48   HD11  ILE   7          HD11      ILE   7   6.388   4.825  -1.094
   49   HD12  ILE   7          HD12      ILE   7   7.542   6.154  -1.093
   50   HD13  ILE   7          HD13      ILE   7   6.042   6.295  -2.002
   51    H    VAL   8           HN       VAL   8   1.893   7.509   0.758
   52    HA   VAL   8           HA       VAL   8  -0.178   5.665   0.750
   53    HB   VAL   8           HB       VAL   8  -0.362   8.662   1.252
   54   HG11  VAL   8          HG11      VAL   8  -2.553   7.690   0.860
   55   HG12  VAL   8          HG12      VAL   8  -2.355   8.134   2.555
   56   HG13  VAL   8          HG13      VAL   8  -2.227   6.444   2.063
   57   HG21  VAL   8          HG21      VAL   8   1.235   7.558   2.721
   58   HG22  VAL   8          HG22      VAL   8   0.005   6.368   3.161
   59   HG23  VAL   8          HG23      VAL   8  -0.205   8.060   3.610
   60    H    ALA   9           HN       ALA   9  -0.051   8.752  -1.001
   61    HA   ALA   9           HA       ALA   9  -2.439   8.522  -2.412
   62    HB1  ALA   9           HB1      ALA   9  -1.558  10.271  -3.845
   63    HB2  ALA   9           HB2      ALA   9   0.065   9.970  -3.216
   64    HB3  ALA   9           HB3      ALA   9  -1.189  10.604  -2.148
   65    H    GLY  10           HN       GLY  10   0.820   7.400  -3.241
   66    HA2  GLY  10           HA2      GLY  10   0.233   6.627  -5.898
   67    HA3  GLY  10           HA1      GLY  10   1.608   6.085  -4.935
   68    H    LEU  11           HN       LEU  11   0.061   5.035  -2.813
   69    HA   LEU  11           HA       LEU  11  -0.564   2.442  -3.761
   70    HB2  LEU  11           HB2      LEU  11  -1.329   3.837  -1.196
   71    HB3  LEU  11           HB1      LEU  11  -1.550   2.129  -1.495
   72    HG   LEU  11           HG       LEU  11   1.128   3.507  -1.442
   73   HD11  LEU  11          HD11      LEU  11   0.064   3.620   0.745
   74   HD12  LEU  11          HD12      LEU  11   1.386   2.447   0.771
   75   HD13  LEU  11          HD13      LEU  11  -0.287   1.895   0.674
   76   HD21  LEU  11          HD21      LEU  11   0.360   0.589  -1.384
   77   HD22  LEU  11          HD22      LEU  11   1.999   1.226  -1.280
   78   HD23  LEU  11          HD23      LEU  11   1.058   1.441  -2.759
   79    H    ALA  12           HN       ALA  12  -2.541   5.079  -2.544
   80    HA   ALA  12           HA       ALA  12  -5.032   3.875  -2.840
   81    HB1  ALA  12           HB1      ALA  12  -4.581   5.781  -1.406
   82    HB2  ALA  12           HB2      ALA  12  -5.976   6.006  -2.463
   83    HB3  ALA  12           HB3      ALA  12  -4.447   6.810  -2.840
   84    H    GLU  13           HN       GLU  13  -3.147   5.661  -5.219
   85    HA   GLU  13           HA       GLU  13  -5.358   6.080  -6.925
   86    HB2  GLU  13           HB2      GLU  13  -3.708   6.578  -8.711
   87    HB3  GLU  13           HB1      GLU  13  -3.395   7.466  -7.229
   88    HG2  GLU  13           HG2      GLU  13  -1.640   5.866  -6.662
   89    HG3  GLU  13           HG1      GLU  13  -1.955   5.009  -8.167
   90    H    ILE  14           HN       ILE  14  -3.022   3.425  -6.742
   91    HA   ILE  14           HA       ILE  14  -4.437   2.169  -8.882
   92    HB   ILE  14           HB       ILE  14  -2.350   0.874  -7.059
   93   HG12  ILE  14          HG12      ILE  14  -1.067   0.810  -9.349
   94   HG13  ILE  14          HG11      ILE  14  -2.150   2.116  -9.791
   95   HG21  ILE  14          HG21      ILE  14  -3.624  -0.187  -9.561
   96   HG22  ILE  14          HG22      ILE  14  -3.881  -0.764  -7.910
   97   HG23  ILE  14          HG23      ILE  14  -2.297  -0.960  -8.677
   98   HD11  ILE  14          HD11      ILE  14  -1.295   3.406  -7.864
   99   HD12  ILE  14          HD12      ILE  14  -0.065   2.997  -9.057
  100   HD13  ILE  14          HD13      ILE  14  -0.148   2.095  -7.551
  101    H    VAL  15           HN       VAL  15  -4.580   2.126  -5.398
  102    HA   VAL  15           HA       VAL  15  -6.301  -0.088  -5.152
  103    HB   VAL  15           HB       VAL  15  -6.148   2.343  -3.303
  104   HG11  VAL  15          HG11      VAL  15  -7.172   0.908  -1.618
  105   HG12  VAL  15          HG12      VAL  15  -7.336  -0.378  -2.814
  106   HG13  VAL  15          HG13      VAL  15  -8.241   1.126  -3.002
  107   HG21  VAL  15          HG21      VAL  15  -4.888  -0.384  -3.089
  108   HG22  VAL  15          HG22      VAL  15  -4.831   0.877  -1.863
  109   HG23  VAL  15          HG23      VAL  15  -4.037   1.129  -3.422
  110    H    ASN  16           HN       ASN  16  -6.916   3.215  -6.028
  111    HA   ASN  16           HA       ASN  16  -9.754   3.178  -5.991
  112    HB2  ASN  16           HB2      ASN  16  -8.509   5.286  -6.063
  113    HB3  ASN  16           HB1      ASN  16  -7.830   4.862  -7.625
  114   HD21  ASN  16          HD21      ASN  16 -10.657   6.012  -5.933
  115   HD22  ASN  16          HD22      ASN  16 -11.522   6.483  -7.346
  116    H    GLU  17           HN       GLU  17  -7.394   2.054  -8.260
  117    HA   GLU  17           HA       GLU  17  -9.334   1.652 -10.348
  118    HB2  GLU  17           HB2      GLU  17  -7.034   2.200 -10.971
  119    HB3  GLU  17           HB1      GLU  17  -6.442   0.778 -10.121
  120    HG2  GLU  17           HG2      GLU  17  -7.463  -0.679 -11.717
  121    HG3  GLU  17           HG1      GLU  17  -8.294   0.672 -12.487
  122    H    ILE  18           HN       ILE  18  -7.564  -0.298  -8.033
  123    HA   ILE  18           HA       ILE  18  -8.475  -2.853  -8.793
  124    HB   ILE  18           HB       ILE  18  -7.665  -1.858  -6.044
  125   HG12  ILE  18          HG12      ILE  18  -5.923  -1.544  -7.682
  126   HG13  ILE  18          HG11      ILE  18  -5.468  -2.824  -6.562
  127   HG21  ILE  18          HG21      ILE  18  -8.905  -3.935  -5.842
  128   HG22  ILE  18          HG22      ILE  18  -7.194  -4.202  -5.489
  129   HG23  ILE  18          HG23      ILE  18  -7.860  -4.694  -7.046
  130   HD11  ILE  18          HD11      ILE  18  -6.098  -4.496  -8.248
  131   HD12  ILE  18          HD12      ILE  18  -4.849  -3.398  -8.844
  132   HD13  ILE  18          HD13      ILE  18  -6.526  -3.198  -9.361
  133    H    ALA  19           HN       ALA  19  -9.675  -0.693  -6.242
  134    HA   ALA  19           HA       ALA  19 -12.191  -2.219  -6.292
  135    HB1  ALA  19           HB1      ALA  19 -10.972  -2.517  -4.210
  136    HB2  ALA  19           HB2      ALA  19 -12.487  -1.648  -3.945
  137    HB3  ALA  19           HB3      ALA  19 -10.956  -0.772  -3.965
  138    H    GLY  20           HN       GLY  20 -10.900   0.932  -5.355
  139    HA2  GLY  20           HA2      GLY  20 -11.791   2.867  -6.630
  140    HA3  GLY  20           HA1      GLY  20 -13.364   2.095  -6.503
  141    H    ILE  21           HN       ILE  21 -10.745   3.148  -4.359
  142    HA   ILE  21           HA       ILE  21 -12.789   4.219  -2.566
  143    HB   ILE  21           HB       ILE  21 -10.721   4.613  -1.038
  144   HG12  ILE  21          HG12      ILE  21  -9.029   2.734  -1.198
  145   HG13  ILE  21          HG11      ILE  21  -9.636   2.423  -2.812
  146   HG21  ILE  21          HG21      ILE  21 -12.482   3.285  -0.361
  147   HG22  ILE  21          HG22      ILE  21 -10.975   2.476   0.048
  148   HG23  ILE  21          HG23      ILE  21 -11.940   1.908  -1.333
  149   HD11  ILE  21          HD11      ILE  21  -8.304   4.952  -1.859
  150   HD12  ILE  21          HD12      ILE  21  -8.939   4.679  -3.482
  151   HD13  ILE  21          HD13      ILE  21  -7.593   3.707  -2.891
  152    HA   PRO  22           HA       PRO  22 -11.664   8.338  -3.634
  153    HB2  PRO  22           HB2      PRO  22 -11.653   9.043  -0.757
  154    HB3  PRO  22           HB1      PRO  22 -12.668   9.681  -2.052
  155    HG2  PRO  22           HG2      PRO  22 -13.665   8.056  -0.169
  156    HG3  PRO  22           HG1      PRO  22 -14.220   7.985  -1.854
  157    HD2  PRO  22           HD2      PRO  22 -12.318   6.188  -0.413
  158    HD3  PRO  22           HD1      PRO  22 -13.594   5.778  -1.581
  159    H    VAL  23           HN       VAL  23  -9.661   9.105  -4.049
  160    HA   VAL  23           HA       VAL  23  -7.408   7.878  -2.826
  161    HB   VAL  23           HB       VAL  23  -7.629   8.424  -5.241
  162   HG11  VAL  23          HG11      VAL  23  -7.285  11.263  -4.355
  163   HG12  VAL  23          HG12      VAL  23  -8.718  10.538  -5.066
  164   HG13  VAL  23          HG13      VAL  23  -7.240  10.701  -6.035
  165   HG21  VAL  23          HG21      VAL  23  -5.463   7.966  -4.329
  166   HG22  VAL  23          HG22      VAL  23  -5.279   9.658  -3.848
  167   HG23  VAL  23          HG23      VAL  23  -5.335   9.225  -5.567
  168    H    GLU  24           HN       GLU  24  -9.288  10.475  -2.115
  169    HA   GLU  24           HA       GLU  24  -7.310  12.086  -0.721
  170    HB2  GLU  24           HB2      GLU  24  -9.300  13.464  -0.172
  171    HB3  GLU  24           HB1      GLU  24  -9.096  13.210  -1.904
  172    HG2  GLU  24           HG2      GLU  24 -10.798  11.484  -1.881
  173    HG3  GLU  24           HG1      GLU  24 -10.968  11.651  -0.139
  174    H    ASP  25           HN       ASP  25  -9.340   9.398  -0.134
  175    HA   ASP  25           HA       ASP  25 -10.068  10.098   2.578
  176    HB2  ASP  25           HB2      ASP  25 -11.559   8.929   0.928
  177    HB3  ASP  25           HB1      ASP  25 -10.557   7.509   1.101
  178    H    VAL  26           HN       VAL  26  -7.670   8.339   0.956
  179    HA   VAL  26           HA       VAL  26  -7.087   6.564   3.135
  180    HB   VAL  26           HB       VAL  26  -5.462   7.074   0.624
  181   HG11  VAL  26          HG11      VAL  26  -4.187   5.989   2.404
  182   HG12  VAL  26          HG12      VAL  26  -4.504   4.856   1.087
  183   HG13  VAL  26          HG13      VAL  26  -5.445   4.766   2.573
  184   HG21  VAL  26          HG21      VAL  26  -7.556   4.976   1.184
  185   HG22  VAL  26          HG22      VAL  26  -6.556   5.074  -0.267
  186   HG23  VAL  26          HG23      VAL  26  -7.728   6.343   0.084
  187    H    LYS  27           HN       LYS  27  -6.779   7.983   4.750
  188    HA   LYS  27           HA       LYS  27  -4.332   9.579   4.814
  189    HB2  LYS  27           HB2      LYS  27  -6.487   9.111   6.897
  190    HB3  LYS  27           HB1      LYS  27  -5.146  10.241   7.063
  191    HG2  LYS  27           HG2      LYS  27  -5.977  11.581   5.253
  192    HG3  LYS  27           HG1      LYS  27  -7.231  10.397   4.901
  193    HD2  LYS  27           HD2      LYS  27  -6.991  12.002   7.446
  194    HD3  LYS  27           HD1      LYS  27  -8.102  12.344   6.116
  195    HE2  LYS  27           HE2      LYS  27  -9.072  10.060   6.462
  196    HE3  LYS  27           HE1      LYS  27  -8.070   9.917   7.904
  197    HZ1  LYS  27           HZ1      LYS  27  -9.207  11.923   8.793
  198    HZ2  LYS  27           HZ2      LYS  27 -10.301  10.666   8.475
  199    HZ3  LYS  27           HZ3      LYS  27 -10.166  11.950   7.403
  200    H    LEU  28           HN       LEU  28  -3.208   9.179   7.216
  201    HA   LEU  28           HA       LEU  28  -1.931   6.682   6.810
  202    HB2  LEU  28           HB2      LEU  28  -1.664   8.752   8.969
  203    HB3  LEU  28           HB1      LEU  28  -0.778   7.251   9.040
  204    HG   LEU  28           HG       LEU  28   0.634   9.044   8.246
  205   HD11  LEU  28          HD11      LEU  28   1.512   8.086   6.234
  206   HD12  LEU  28          HD12      LEU  28   0.043   7.123   6.022
  207   HD13  LEU  28          HD13      LEU  28   1.099   6.845   7.415
  208   HD21  LEU  28          HD21      LEU  28  -1.028  10.518   7.232
  209   HD22  LEU  28          HD22      LEU  28  -1.286   9.353   5.933
  210   HD23  LEU  28          HD23      LEU  28   0.272  10.165   6.091
  211    H    ASP  29           HN       ASP  29  -4.727   7.412   8.545
  212    HA   ASP  29           HA       ASP  29  -4.457   5.265  10.482
  213    HB2  ASP  29           HB2      ASP  29  -6.710   5.885  11.212
  214    HB3  ASP  29           HB1      ASP  29  -5.650   7.286  11.144
  215    H    LYS  30           HN       LYS  30  -5.036   5.253   7.301
  216    HA   LYS  30           HA       LYS  30  -7.255   3.412   7.237
  217    HB2  LYS  30           HB2      LYS  30  -5.435   4.453   5.082
  218    HB3  LYS  30           HB1      LYS  30  -6.780   3.355   4.798
  219    HG2  LYS  30           HG2      LYS  30  -7.013   6.091   6.008
  220    HG3  LYS  30           HG1      LYS  30  -7.331   5.687   4.316
  221    HD2  LYS  30           HD2      LYS  30  -9.100   4.212   4.948
  222    HD3  LYS  30           HD1      LYS  30  -8.716   4.427   6.659
  223    HE2  LYS  30           HE2      LYS  30  -9.299   6.739   6.520
  224    HE3  LYS  30           HE1      LYS  30  -9.611   6.595   4.790
  225    HZ1  LYS  30           HZ1      LYS  30 -11.620   6.508   6.165
  226    HZ2  LYS  30           HZ2      LYS  30 -11.051   5.031   6.839
  227    HZ3  LYS  30           HZ3      LYS  30 -11.391   5.144   5.190
  228    H    SER  31           HN       SER  31  -7.089   1.296   7.365
  229    HA   SER  31           HA       SER  31  -4.565   0.031   6.683
  230    HB2  SER  31           HB2      SER  31  -5.793  -1.851   8.073
  231    HB3  SER  31           HB1      SER  31  -4.938  -0.531   8.887
  232    HG   SER  31           HG       SER  31  -6.817  -0.160   9.794
  233    H    PHE  32           HN       PHE  32  -5.010  -2.263   5.522
  234    HA   PHE  32           HA       PHE  32  -6.363  -1.184   3.268
  235    HB2  PHE  32           HB2      PHE  32  -4.661  -3.615   3.665
  236    HB3  PHE  32           HB1      PHE  32  -5.413  -3.196   2.127
  237    HD1  PHE  32           HD1      PHE  32  -3.020  -2.027   4.688
  238    HD2  PHE  32           HD2      PHE  32  -4.472  -1.560   0.719
  239    HE1  PHE  32           HE1      PHE  32  -1.119  -0.560   4.168
  240    HE2  PHE  32           HE2      PHE  32  -2.580  -0.095   0.196
  241    HZ   PHE  32           HZ       PHE  32  -0.938   0.459   1.930
  242    H    THR  33           HN       THR  33  -6.619  -4.216   5.073
  243    HA   THR  33           HA       THR  33  -9.303  -4.111   4.075
  244    HB   THR  33           HB       THR  33  -9.268  -6.587   4.627
  245    HG1  THR  33           HG1      THR  33  -6.544  -6.397   3.904
  246   HG21  THR  33          HG21      THR  33  -7.847  -5.485   2.214
  247   HG22  THR  33          HG22      THR  33  -9.588  -5.746   2.387
  248   HG23  THR  33          HG23      THR  33  -8.486  -7.123   2.330
  249    H    ASP  34           HN       ASP  34  -8.231  -2.886   6.381
  250    HA   ASP  34           HA       ASP  34  -9.879  -4.220   8.417
  251    HB2  ASP  34           HB2      ASP  34  -7.541  -2.353   8.930
  252    HB3  ASP  34           HB1      ASP  34  -8.571  -3.052  10.161
  253    H    ASP  35           HN       ASP  35  -8.947  -1.159   6.887
  254    HA   ASP  35           HA       ASP  35 -11.395   0.008   8.057
  255    HB2  ASP  35           HB2      ASP  35  -9.100   0.982   8.817
  256    HB3  ASP  35           HB1      ASP  35  -9.044   1.676   7.211
  257    H    LEU  36           HN       LEU  36  -9.560  -0.566   5.163
  258    HA   LEU  36           HA       LEU  36 -11.011   1.387   3.606
  259    HB2  LEU  36           HB2      LEU  36  -8.957  -0.676   2.827
  260    HB3  LEU  36           HB1      LEU  36  -9.716   0.413   1.690
  261    HG   LEU  36           HG       LEU  36  -7.964   1.245   4.000
  262   HD11  LEU  36          HD11      LEU  36  -6.719   0.126   2.211
  263   HD12  LEU  36          HD12      LEU  36  -6.363   1.852   2.255
  264   HD13  LEU  36          HD13      LEU  36  -7.450   1.209   1.025
  265   HD21  LEU  36          HD21      LEU  36  -8.099   3.455   2.985
  266   HD22  LEU  36          HD22      LEU  36  -9.690   2.849   3.479
  267   HD23  LEU  36          HD23      LEU  36  -9.228   2.820   1.777
  268    H    ASP  37           HN       ASP  37 -11.488   0.258   1.245
  269    HA   ASP  37           HA       ASP  37 -13.351  -1.915   1.761
  270    HB2  ASP  37           HB2      ASP  37 -13.998   0.703   0.410
  271    HB3  ASP  37           HB1      ASP  37 -14.914  -0.760   0.073
  272    H    VAL  38           HN       VAL  38 -11.580  -3.082   0.881
  273    HA   VAL  38           HA       VAL  38 -11.696  -3.105  -2.008
  274    HB   VAL  38           HB       VAL  38  -9.372  -3.832  -1.963
  275   HG11  VAL  38          HG11      VAL  38  -9.867  -1.496  -2.499
  276   HG12  VAL  38          HG12      VAL  38  -8.353  -1.586  -1.599
  277   HG13  VAL  38          HG13      VAL  38  -9.837  -1.086  -0.787
  278   HG21  VAL  38          HG21      VAL  38  -9.139  -4.597   0.296
  279   HG22  VAL  38          HG22      VAL  38  -9.394  -2.963   0.913
  280   HG23  VAL  38          HG23      VAL  38  -7.938  -3.342  -0.009
  281    H    ASP  39           HN       ASP  39 -10.744  -5.240  -2.756
  282    HA   ASP  39           HA       ASP  39 -11.655  -7.471  -1.110
  283    HB2  ASP  39           HB2      ASP  39 -12.210  -7.460  -3.557
  284    HB3  ASP  39           HB1      ASP  39 -10.476  -7.312  -3.861
  285    H    SER  40           HN       SER  40 -10.209  -8.744  -0.144
  286    HA   SER  40           HA       SER  40  -7.676  -7.644   0.382
  287    HB2  SER  40           HB2      SER  40  -7.287  -9.686   1.718
  288    HB3  SER  40           HB1      SER  40  -8.824  -8.885   2.080
  289    H    LEU  41           HN       LEU  41  -8.554 -10.610  -1.351
  290    HA   LEU  41           HA       LEU  41  -5.929 -11.290  -1.917
  291    HB2  LEU  41           HB2      LEU  41  -8.448 -12.041  -3.390
  292    HB3  LEU  41           HB1      LEU  41  -6.885 -12.636  -3.887
  293    HG   LEU  41           HG       LEU  41  -6.664 -13.712  -1.622
  294   HD11  LEU  41          HD11      LEU  41  -8.688 -14.108  -0.331
  295   HD12  LEU  41          HD12      LEU  41  -9.577 -12.994  -1.370
  296   HD13  LEU  41          HD13      LEU  41  -8.256 -12.401  -0.359
  297   HD21  LEU  41          HD21      LEU  41  -8.979 -14.556  -3.342
  298   HD22  LEU  41          HD22      LEU  41  -8.148 -15.570  -2.162
  299   HD23  LEU  41          HD23      LEU  41  -7.284 -14.978  -3.580
  300    H    SER  42           HN       SER  42  -8.119  -9.104  -3.438
  301    HA   SER  42           HA       SER  42  -6.533  -8.653  -5.762
  302    HB2  SER  42           HB2      SER  42  -8.797  -7.011  -4.653
  303    HB3  SER  42           HB1      SER  42  -8.080  -6.902  -6.272
  304    HG   SER  42           HG       SER  42  -9.457  -9.075  -5.108
  305    H    MET  43           HN       MET  43  -6.277  -7.520  -2.514
  306    HA   MET  43           HA       MET  43  -5.052  -5.028  -3.102
  307    HB2  MET  43           HB2      MET  43  -5.797  -5.683  -0.777
  308    HB3  MET  43           HB1      MET  43  -4.437  -6.803  -0.719
  309    HG2  MET  43           HG2      MET  43  -2.983  -4.765  -1.249
  310    HG3  MET  43           HG1      MET  43  -4.386  -3.805  -0.806
  311    HE1  MET  43           HE1      MET  43  -2.854  -7.163   0.660
  312    HE2  MET  43           HE2      MET  43  -1.928  -6.502   2.005
  313    HE3  MET  43           HE3      MET  43  -1.486  -6.095   0.348
  314    H    VAL  44           HN       VAL  44  -4.143  -8.281  -3.188
  315    HA   VAL  44           HA       VAL  44  -1.337  -8.033  -3.186
  316    HB   VAL  44           HB       VAL  44  -3.041 -10.213  -4.447
  317   HG11  VAL  44          HG11      VAL  44  -1.092 -11.659  -4.143
  318   HG12  VAL  44          HG12      VAL  44  -0.162 -10.282  -3.552
  319   HG13  VAL  44          HG13      VAL  44  -0.737 -10.308  -5.218
  320   HG21  VAL  44          HG21      VAL  44  -3.619  -9.925  -2.102
  321   HG22  VAL  44          HG22      VAL  44  -1.937 -10.008  -1.628
  322   HG23  VAL  44          HG23      VAL  44  -2.729 -11.429  -2.309
  323    H    GLU  45           HN       GLU  45  -3.770  -7.421  -5.535
  324    HA   GLU  45           HA       GLU  45  -2.095  -7.499  -7.852
  325    HB2  GLU  45           HB2      GLU  45  -4.822  -6.256  -7.454
  326    HB3  GLU  45           HB1      GLU  45  -4.034  -6.529  -9.001
  327    HG2  GLU  45           HG2      GLU  45  -4.880  -8.677  -7.070
  328    HG3  GLU  45           HG1      GLU  45  -5.768  -8.189  -8.512
  329    H    VAL  46           HN       VAL  46  -3.261  -5.037  -5.576
  330    HA   VAL  46           HA       VAL  46  -2.107  -2.937  -7.128
  331    HB   VAL  46           HB       VAL  46  -4.072  -2.323  -5.837
  332   HG11  VAL  46          HG11      VAL  46  -2.509  -2.900  -3.345
  333   HG12  VAL  46          HG12      VAL  46  -3.821  -3.871  -4.003
  334   HG13  VAL  46          HG13      VAL  46  -4.146  -2.229  -3.431
  335   HG21  VAL  46          HG21      VAL  46  -2.475  -0.546  -6.210
  336   HG22  VAL  46          HG22      VAL  46  -1.633  -0.963  -4.717
  337   HG23  VAL  46          HG23      VAL  46  -3.279  -0.328  -4.656
  338    H    VAL  47           HN       VAL  47  -1.121  -4.713  -4.231
  339    HA   VAL  47           HA       VAL  47   1.081  -3.068  -3.693
  340    HB   VAL  47           HB       VAL  47   0.307  -4.629  -1.977
  341   HG11  VAL  47          HG11      VAL  47  -0.344  -6.493  -3.354
  342   HG12  VAL  47          HG12      VAL  47   0.771  -7.019  -2.089
  343   HG13  VAL  47          HG13      VAL  47   1.343  -6.821  -3.745
  344   HG21  VAL  47          HG21      VAL  47   2.460  -5.523  -1.209
  345   HG22  VAL  47          HG22      VAL  47   2.605  -3.871  -1.817
  346   HG23  VAL  47          HG23      VAL  47   3.142  -5.223  -2.808
  347    H    VAL  48           HN       VAL  48   0.822  -5.848  -5.862
  348    HA   VAL  48           HA       VAL  48   3.590  -5.949  -6.408
  349    HB   VAL  48           HB       VAL  48   2.023  -7.840  -6.861
  350   HG11  VAL  48          HG11      VAL  48   0.156  -6.682  -7.788
  351   HG12  VAL  48          HG12      VAL  48   0.727  -7.909  -8.921
  352   HG13  VAL  48          HG13      VAL  48   1.104  -6.209  -9.199
  353   HG21  VAL  48          HG21      VAL  48   4.222  -7.884  -7.879
  354   HG22  VAL  48          HG22      VAL  48   3.625  -6.960  -9.257
  355   HG23  VAL  48          HG23      VAL  48   3.034  -8.595  -8.970
  356    H    ALA  49           HN       ALA  49   1.056  -3.930  -7.575
  357    HA   ALA  49           HA       ALA  49   2.599  -2.924  -9.808
  358    HB1  ALA  49           HB1      ALA  49   0.157  -3.091 -10.003
  359    HB2  ALA  49           HB2      ALA  49   0.693  -1.420 -10.170
  360    HB3  ALA  49           HB3      ALA  49  -0.030  -1.967  -8.656
  361    H    ALA  50           HN       ALA  50   1.972  -2.179  -6.511
  362    HA   ALA  50           HA       ALA  50   2.830   0.516  -6.572
  363    HB1  ALA  50           HB1      ALA  50   2.731  -1.399  -4.242
  364    HB2  ALA  50           HB2      ALA  50   1.415  -0.349  -4.771
  365    HB3  ALA  50           HB3      ALA  50   2.904   0.352  -4.132
  366    H    GLU  51           HN       GLU  51   4.417  -2.543  -6.101
  367    HA   GLU  51           HA       GLU  51   6.907  -1.747  -5.163
  368    HB2  GLU  51           HB2      GLU  51   6.302  -3.946  -7.139
  369    HB3  GLU  51           HB1      GLU  51   7.790  -3.780  -6.215
  370    HG2  GLU  51           HG2      GLU  51   6.511  -4.061  -4.142
  371    HG3  GLU  51           HG1      GLU  51   5.043  -4.258  -5.099
  372    H    GLU  52           HN       GLU  52   5.768  -1.938  -8.503
  373    HA   GLU  52           HA       GLU  52   8.260  -1.016  -9.538
  374    HB2  GLU  52           HB2      GLU  52   7.113  -0.986 -11.726
  375    HB3  GLU  52           HB1      GLU  52   6.938  -2.520 -10.884
  376    HG2  GLU  52           HG2      GLU  52   4.676  -1.832 -10.170
  377    HG3  GLU  52           HG1      GLU  52   4.900  -0.338 -11.045
  378    H    ARG  53           HN       ARG  53   5.497   0.565  -8.275
  379    HA   ARG  53           HA       ARG  53   5.903   3.030  -9.740
  380    HB2  ARG  53           HB2      ARG  53   4.215   2.519  -7.274
  381    HB3  ARG  53           HB1      ARG  53   4.262   4.031  -8.155
  382    HG2  ARG  53           HG2      ARG  53   3.289   1.389  -9.221
  383    HG3  ARG  53           HG1      ARG  53   2.278   2.726  -8.676
  384    HD2  ARG  53           HD2      ARG  53   3.089   4.125 -10.468
  385    HD3  ARG  53           HD1      ARG  53   4.244   2.881 -10.961
  386    HE   ARG  53           HE       ARG  53   1.328   2.771 -11.255
  387   HH11  ARG  53          HH11      ARG  53   4.549   1.736 -12.289
  388   HH12  ARG  53          HH12      ARG  53   3.997   0.415 -13.208
  389   HH21  ARG  53          HH21      ARG  53   0.538   0.985 -12.672
  390   HH22  ARG  53          HH22      ARG  53   1.679   0.031 -13.489
  391    H    PHE  54           HN       PHE  54   6.440   1.940  -6.409
  392    HA   PHE  54           HA       PHE  54   7.651   4.482  -5.758
  393    HB2  PHE  54           HB2      PHE  54   7.196   2.076  -4.010
  394    HB3  PHE  54           HB1      PHE  54   7.712   3.669  -3.464
  395    HD1  PHE  54           HD2      PHE  54   6.129   5.599  -4.483
  396    HD2  PHE  54           HD1      PHE  54   5.018   1.584  -3.678
  397    HE1  PHE  54           HE2      PHE  54   3.783   6.288  -4.266
  398    HE2  PHE  54           HE1      PHE  54   2.679   2.270  -3.459
  399    HZ   PHE  54           HZ       PHE  54   2.058   4.604  -3.833
  400    H    ASP  55           HN       ASP  55   8.869   1.985  -7.309
  401    HA   ASP  55           HA       ASP  55  10.970   1.200  -7.756
  402    HB2  ASP  55           HB2      ASP  55  11.699   3.618  -6.113
  403    HB3  ASP  55           HB1      ASP  55  12.944   2.563  -6.790
  404    H    VAL  56           HN       VAL  56   9.478   0.150  -5.599
  405    HA   VAL  56           HA       VAL  56  11.607  -0.772  -3.794
  406    HB   VAL  56           HB       VAL  56   9.798  -1.374  -2.157
  407   HG11  VAL  56          HG11      VAL  56   9.434   0.820  -1.301
  408   HG12  VAL  56          HG12      VAL  56   9.919   1.541  -2.844
  409   HG13  VAL  56          HG13      VAL  56  11.097   0.651  -1.861
  410   HG21  VAL  56          HG21      VAL  56   8.029   0.238  -4.010
  411   HG22  VAL  56          HG22      VAL  56   7.595  -0.265  -2.382
  412   HG23  VAL  56          HG23      VAL  56   7.885  -1.477  -3.626
  413    H    LYS  57           HN       LYS  57  10.668  -2.870  -2.681
  414    HA   LYS  57           HA       LYS  57   9.170  -4.567  -4.413
  415    HB2  LYS  57           HB2      LYS  57  11.468  -5.138  -5.081
  416    HB3  LYS  57           HB1      LYS  57  11.944  -5.289  -3.392
  417    HG2  LYS  57           HG2      LYS  57  10.598  -7.228  -3.098
  418    HG3  LYS  57           HG1      LYS  57   9.832  -7.005  -4.668
  419    HD2  LYS  57           HD2      LYS  57  12.754  -7.588  -4.237
  420    HD3  LYS  57           HD1      LYS  57  11.536  -8.800  -4.636
  421    HE2  LYS  57           HE2      LYS  57  11.032  -7.526  -6.706
  422    HE3  LYS  57           HE1      LYS  57  12.356  -6.435  -6.310
  423    HZ1  LYS  57           HZ1      LYS  57  12.567  -9.340  -6.842
  424    HZ2  LYS  57           HZ2      LYS  57  13.863  -8.360  -6.391
  425    HZ3  LYS  57           HZ3      LYS  57  13.083  -8.097  -7.864
  426    H    ILE  58           HN       ILE  58   7.845  -5.724  -3.180
  427    HA   ILE  58           HA       ILE  58   8.301  -5.520  -0.291
  428    HB   ILE  58           HB       ILE  58   5.577  -5.271  -1.624
  429   HG12  ILE  58          HG12      ILE  58   7.265  -3.084  -0.366
  430   HG13  ILE  58          HG11      ILE  58   7.049  -3.304  -2.095
  431   HG21  ILE  58          HG21      ILE  58   5.544  -6.200   0.644
  432   HG22  ILE  58          HG22      ILE  58   4.853  -4.577   0.625
  433   HG23  ILE  58          HG23      ILE  58   6.491  -4.831   1.227
  434   HD11  ILE  58          HD11      ILE  58   5.634  -1.528  -1.241
  435   HD12  ILE  58          HD12      ILE  58   4.879  -2.657  -0.116
  436   HD13  ILE  58          HD13      ILE  58   4.664  -2.867  -1.853
  437    HA   PRO  59           HA       PRO  59   7.913  -9.944  -1.076
  438    HB2  PRO  59           HB2      PRO  59   8.757  -9.977   1.767
  439    HB3  PRO  59           HB1      PRO  59   9.464 -10.814   0.379
  440    HG2  PRO  59           HG2      PRO  59  10.703  -8.733   1.469
  441    HG3  PRO  59           HG1      PRO  59  10.673  -8.949  -0.294
  442    HD2  PRO  59           HD2      PRO  59   8.983  -7.160   1.417
  443    HD3  PRO  59           HD1      PRO  59   9.809  -6.793  -0.116
  444    H    ASP  60           HN       ASP  60   6.289 -11.233  -0.650
  445    HA   ASP  60           HA       ASP  60   3.875 -10.264   0.288
  446    HB2  ASP  60           HB2      ASP  60   4.712 -13.137  -0.110
  447    HB3  ASP  60           HB1      ASP  60   3.059 -12.639   0.221
  448    H    ASP  61           HN       ASP  61   6.259 -12.120   2.084
  449    HA   ASP  61           HA       ASP  61   4.503 -12.584   4.293
  450    HB2  ASP  61           HB2      ASP  61   7.524 -12.732   4.181
  451    HB3  ASP  61           HB1      ASP  61   6.572 -13.174   5.590
  452    H    ASP  62           HN       ASP  62   6.697 -10.011   3.455
  453    HA   ASP  62           HA       ASP  62   6.617  -8.729   6.012
  454    HB2  ASP  62           HB2      ASP  62   7.364  -7.686   3.270
  455    HB3  ASP  62           HB1      ASP  62   7.373  -6.667   4.704
  456    H    VAL  63           HN       VAL  63   4.779  -8.582   3.091
  457    HA   VAL  63           HA       VAL  63   3.110  -6.398   3.552
  458    HB   VAL  63           HB       VAL  63   2.349  -9.048   2.267
  459   HG11  VAL  63          HG11      VAL  63   1.069  -6.334   1.993
  460   HG12  VAL  63          HG12      VAL  63   0.390  -7.732   2.828
  461   HG13  VAL  63          HG13      VAL  63   0.628  -7.778   1.080
  462   HG21  VAL  63          HG21      VAL  63   3.411  -6.525   1.004
  463   HG22  VAL  63          HG22      VAL  63   2.855  -7.956   0.135
  464   HG23  VAL  63          HG23      VAL  63   4.278  -8.052   1.172
  465    H    LYS  64           HN       LYS  64   2.664  -9.806   4.393
  466    HA   LYS  64           HA       LYS  64   0.119  -9.619   5.601
  467    HB2  LYS  64           HB2      LYS  64   2.281 -11.671   6.106
  468    HB3  LYS  64           HB1      LYS  64   0.571 -11.857   6.464
  469    HG2  LYS  64           HG2      LYS  64   0.033 -11.769   4.106
  470    HG3  LYS  64           HG1      LYS  64   1.727 -11.480   3.711
  471    HD2  LYS  64           HD2      LYS  64   2.279 -13.679   4.732
  472    HD3  LYS  64           HD1      LYS  64   0.552 -13.959   4.960
  473    HE2  LYS  64           HE2      LYS  64   1.915 -13.488   2.308
  474    HE3  LYS  64           HE1      LYS  64   1.426 -15.057   2.932
  475    HZ1  LYS  64           HZ1      LYS  64  -0.419 -12.804   2.276
  476    HZ2  LYS  64           HZ2      LYS  64  -0.878 -14.343   2.862
  477    HZ3  LYS  64           HZ3      LYS  64  -0.183 -14.202   1.361
  478    H    ASN  65           HN       ASN  65   3.185  -8.767   6.739
  479    HA   ASN  65           HA       ASN  65   2.532  -9.039   9.544
  480    HB2  ASN  65           HB2      ASN  65   5.004  -8.354   8.023
  481    HB3  ASN  65           HB1      ASN  65   4.889  -7.917   9.714
  482   HD21  ASN  65          HD21      ASN  65   3.418 -10.838   8.406
  483   HD22  ASN  65          HD22      ASN  65   4.487 -11.939   9.191
  484    H    LEU  66           HN       LEU  66   2.078  -6.643   7.177
  485    HA   LEU  66           HA       LEU  66   2.467  -4.479   9.089
  486    HB2  LEU  66           HB2      LEU  66   1.698  -4.378   6.179
  487    HB3  LEU  66           HB1      LEU  66   1.946  -2.977   7.198
  488    HG   LEU  66           HG       LEU  66   4.053  -4.989   6.412
  489   HD11  LEU  66          HD11      LEU  66   3.384  -3.532   4.610
  490   HD12  LEU  66          HD12      LEU  66   5.005  -3.106   5.180
  491   HD13  LEU  66          HD13      LEU  66   3.603  -2.129   5.657
  492   HD21  LEU  66          HD21      LEU  66   5.628  -3.480   7.525
  493   HD22  LEU  66          HD22      LEU  66   4.443  -4.116   8.669
  494   HD23  LEU  66          HD23      LEU  66   4.284  -2.469   8.056
  495    H    LYS  67           HN       LYS  67   0.613  -2.648   8.689
  496    HA   LYS  67           HA       LYS  67  -1.923  -4.030   9.196
  497    HB2  LYS  67           HB2      LYS  67  -0.854  -1.740  10.864
  498    HB3  LYS  67           HB1      LYS  67  -2.396  -2.545  11.089
  499    HG2  LYS  67           HG2      LYS  67  -1.209  -4.625  11.632
  500    HG3  LYS  67           HG1      LYS  67   0.318  -3.767  11.409
  501    HD2  LYS  67           HD2      LYS  67  -1.751  -2.855  13.411
  502    HD3  LYS  67           HD1      LYS  67  -0.575  -4.095  13.819
  503    HE2  LYS  67           HE2      LYS  67   0.219  -1.982  14.650
  504    HE3  LYS  67           HE1      LYS  67   1.239  -2.458  13.304
  505    HZ1  LYS  67           HZ1      LYS  67  -0.968  -0.444  13.122
  506    HZ2  LYS  67           HZ2      LYS  67   0.196  -0.817  11.915
  507    HZ3  LYS  67           HZ3      LYS  67   0.669  -0.096  13.309
  508    H    THR  68           HN       THR  68  -0.842  -0.630   9.262
  509    HA   THR  68           HA       THR  68  -3.176   0.057   7.644
  510    HB   THR  68           HB       THR  68  -2.780   2.353   8.449
  511    HG1  THR  68           HG1      THR  68  -0.684   1.199  10.040
  512   HG21  THR  68          HG21      THR  68  -2.892   0.282  10.655
  513   HG22  THR  68          HG22      THR  68  -4.275   0.996   9.807
  514   HG23  THR  68          HG23      THR  68  -3.276   1.985  10.860
  515    H    VAL  69           HN       VAL  69  -2.580   2.312   6.499
  516    HA   VAL  69           HA       VAL  69  -0.445   1.807   4.680
  517    HB   VAL  69           HB       VAL  69  -0.983   4.005   3.659
  518   HG11  VAL  69          HG11      VAL  69  -2.252   2.073   2.936
  519   HG12  VAL  69          HG12      VAL  69  -3.262   3.519   2.919
  520   HG13  VAL  69          HG13      VAL  69  -3.428   2.342   4.223
  521   HG21  VAL  69          HG21      VAL  69  -1.578   5.236   5.684
  522   HG22  VAL  69          HG22      VAL  69  -3.031   4.251   5.860
  523   HG23  VAL  69          HG23      VAL  69  -2.873   5.335   4.493
  524    H    GLY  70           HN       GLY  70  -0.717   3.156   7.755
  525    HA2  GLY  70           HA2      GLY  70   1.504   4.934   7.654
  526    HA3  GLY  70           HA1      GLY  70   0.760   4.246   9.106
  527    H    ASP  71           HN       ASP  71   0.910   1.599   8.562
  528    HA   ASP  71           HA       ASP  71   3.574   0.879   9.214
  529    HB2  ASP  71           HB2      ASP  71   1.347  -0.822   8.079
  530    HB3  ASP  71           HB1      ASP  71   2.842  -1.449   8.739
  531    H    ALA  72           HN       ALA  72   1.708   0.903   6.274
  532    HA   ALA  72           HA       ALA  72   3.508  -0.509   4.639
  533    HB1  ALA  72           HB1      ALA  72   2.206   0.364   2.763
  534    HB2  ALA  72           HB2      ALA  72   1.418   1.515   3.841
  535    HB3  ALA  72           HB3      ALA  72   1.149  -0.217   4.047
  536    H    THR  73           HN       THR  73   2.912   2.942   5.105
  537    HA   THR  73           HA       THR  73   4.798   3.811   3.324
  538    HB   THR  73           HB       THR  73   4.818   5.928   4.802
  539    HG1  THR  73           HG1      THR  73   2.512   4.717   5.844
  540   HG21  THR  73          HG21      THR  73   3.578   5.643   2.731
  541   HG22  THR  73          HG22      THR  73   2.696   6.625   3.902
  542   HG23  THR  73          HG23      THR  73   2.237   4.940   3.631
  543    H    LYS  74           HN       LYS  74   5.161   3.299   6.851
  544    HA   LYS  74           HA       LYS  74   7.762   4.161   7.197
  545    HB2  LYS  74           HB2      LYS  74   6.447   1.761   8.490
  546    HB3  LYS  74           HB1      LYS  74   7.959   2.459   9.023
  547    HG2  LYS  74           HG2      LYS  74   5.254   3.791   9.069
  548    HG3  LYS  74           HG1      LYS  74   6.130   3.148  10.457
  549    HD2  LYS  74           HD2      LYS  74   7.962   4.792   9.927
  550    HD3  LYS  74           HD1      LYS  74   6.880   5.497   8.725
  551    HE2  LYS  74           HE2      LYS  74   6.370   5.296  11.699
  552    HE3  LYS  74           HE1      LYS  74   6.797   6.758  10.818
  553    HZ1  LYS  74           HZ1      LYS  74   4.453   6.748  11.215
  554    HZ2  LYS  74           HZ2      LYS  74   4.276   5.197  10.632
  555    HZ3  LYS  74           HZ3      LYS  74   4.651   6.453   9.564
  556    H    TYR  75           HN       TYR  75   6.693   0.973   6.138
  557    HA   TYR  75           HA       TYR  75   9.283  -0.137   5.827
  558    HB2  TYR  75           HB2      TYR  75   7.286  -1.542   6.111
  559    HB3  TYR  75           HB1      TYR  75   6.646  -0.958   4.580
  560    HD1  TYR  75           HD2      TYR  75   7.697  -1.681   2.437
  561    HD2  TYR  75           HD1      TYR  75   8.973  -3.233   6.186
  562    HE1  TYR  75           HE2      TYR  75   8.856  -3.478   1.272
  563    HE2  TYR  75           HE1      TYR  75  10.135  -5.057   5.032
  564    HH   TYR  75           HH       TYR  75  10.069  -6.220   2.946
  565    H    ILE  76           HN       ILE  76   6.922   1.034   3.450
  566    HA   ILE  76           HA       ILE  76   8.422   0.500   1.154
  567    HB   ILE  76           HB       ILE  76   6.262   2.569   1.560
  568   HG12  ILE  76          HG12      ILE  76   6.141  -0.178   0.315
  569   HG13  ILE  76          HG11      ILE  76   5.654   0.192   1.967
  570   HG21  ILE  76          HG21      ILE  76   7.612   3.129  -0.403
  571   HG22  ILE  76          HG22      ILE  76   6.023   2.549  -0.898
  572   HG23  ILE  76          HG23      ILE  76   7.429   1.487  -1.022
  573   HD11  ILE  76          HD11      ILE  76   3.744   0.093   0.483
  574   HD12  ILE  76          HD12      ILE  76   4.485   1.367  -0.516
  575   HD13  ILE  76          HD13      ILE  76   4.006   1.717   1.147
  576    H    LEU  77           HN       LEU  77   8.018   3.627   2.844
  577    HA   LEU  77           HA       LEU  77   9.580   4.971   0.973
  578    HB2  LEU  77           HB2      LEU  77   9.597   6.914   2.466
  579    HB3  LEU  77           HB1      LEU  77   8.002   6.237   2.280
  580    HG   LEU  77           HG       LEU  77   8.404   5.141   4.576
  581   HD11  LEU  77          HD11      LEU  77  10.794   5.492   4.749
  582   HD12  LEU  77          HD12      LEU  77   9.946   6.303   6.066
  583   HD13  LEU  77          HD13      LEU  77  10.559   7.239   4.699
  584   HD21  LEU  77          HD21      LEU  77   8.153   8.126   4.334
  585   HD22  LEU  77          HD22      LEU  77   7.678   7.161   5.736
  586   HD23  LEU  77          HD23      LEU  77   6.852   6.945   4.191
  587    H    ASP  78           HN       ASP  78  10.477   3.023   3.497
  588    HA   ASP  78           HA       ASP  78  13.143   4.144   3.885
  589    HB2  ASP  78           HB2      ASP  78  12.036   2.925   5.726
  590    HB3  ASP  78           HB1      ASP  78  12.069   1.452   4.765
  591    H    HIS  79           HN       HIS  79  11.658   1.599   2.051
  592    HA   HIS  79           HA       HIS  79  14.241   0.527   1.228
  593    HB2  HIS  79           HB2      HIS  79  11.440  -0.516   0.914
  594    HB3  HIS  79           HB1      HIS  79  12.773  -1.189  -0.008
  595    HD1  HIS  79           HD1      HIS  79  14.292  -2.824   1.162
  596    HD2  HIS  79           HD2      HIS  79  11.623  -0.984   3.767
  597    HE1  HIS  79           HE1      HIS  79  14.433  -4.119   3.290
  598    HE2  HIS  79           HE2      HIS  79  12.723  -3.140   4.790
  599    H    GLN  80           HN       GLN  80  12.522   3.012   0.161
  600    HA   GLN  80           HA       GLN  80  12.290   2.485  -2.647
  601    HB2  GLN  80           HB2      GLN  80  12.533   5.143  -1.266
  602    HB3  GLN  80           HB1      GLN  80  12.028   4.877  -2.916
  603    HG2  GLN  80           HG2      GLN  80  10.041   3.727  -2.081
  604    HG3  GLN  80           HG1      GLN  80  10.560   4.101  -0.427
  605   HE21  GLN  80          HE21      GLN  80  10.766   6.323   0.165
  606   HE22  GLN  80          HE22      GLN  80   9.831   7.517  -0.648
  607    H    ALA  81           HN       ALA  81  13.386   4.188  -4.111
  608    HA   ALA  81           HA       ALA  81  16.232   4.337  -3.514
  609    HB1  ALA  81           HB1      ALA  81  15.713   3.127  -5.590
  610    HB2  ALA  81           HB2      ALA  81  16.495   4.666  -5.959
  611    HB3  ALA  81           HB3      ALA  81  14.752   4.494  -6.152
  612    H28  SXO 101          H28B      SXO 101  -7.066 -11.679   3.623
  613   H28A  SXO 101          H28A      SXO 101  -6.556 -11.914   1.945
  614    H30  SXO 101          H30A      SXO 101  -8.083 -14.232   4.193
  615   H30A  SXO 101          H30C      SXO 101  -6.559 -14.934   4.843
  616   H30B  SXO 101          H30B      SXO 101  -6.929 -13.202   5.077
  617    H31  SXO 101          H31A      SXO 101  -6.005 -14.309   1.218
  618   H31A  SXO 101          H31B      SXO 101  -7.507 -14.889   1.938
  619   H31B  SXO 101          H31C      SXO 101  -5.961 -15.597   2.432
  620    H32  SXO 101          H32A      SXO 101  -4.825 -12.759   4.475
  621   HO33  SXO 101          H33A      SXO 101  -3.515 -14.720   3.330
  622   HN36  SXO 101          H36A      SXO 101  -4.947 -11.157   2.786
  623    H37  SXO 101          H37A      SXO 101  -2.557 -10.481   1.803
  624   H37A  SXO 101          H37B      SXO 101  -3.301 -11.390   0.477
  625    H38  SXO 101          H38B      SXO 101  -5.144  -9.882   0.419
  626   H38A  SXO 101          H38A      SXO 101  -3.636  -8.980   0.275
  627   HN41  SXO 101          H41A      SXO 101  -3.699  -9.710   3.276
  628    H42  SXO 101          H42A      SXO 101  -4.451  -7.103   4.223
  629   H42A  SXO 101          H42B      SXO 101  -5.579  -8.284   4.732
  630    H43  SXO 101          H43B      SXO 101  -4.018  -8.059   6.463
  631   H43A  SXO 101          H43A      SXO 101  -3.654  -9.602   5.667
  632    H2   SXO 101           H2A      SXO 101  -0.167  -6.146   5.231
  633    H2A  SXO 101           H2B      SXO 101  -0.874  -4.817   6.148
  634    H3   SXO 101           H3B      SXO 101  -1.082  -5.171   3.162
  635    H3A  SXO 101           H3A      SXO 101  -1.661  -3.793   4.103
  636    H4   SXO 101           H4A      SXO 101   1.208  -4.691   3.835
  637    H4A  SXO 101           H4B      SXO 101   0.661  -3.359   4.844
  638    H5   SXO 101           H5B      SXO 101  -0.191  -2.210   2.841
  639    H5A  SXO 101           H5A      SXO 101   1.549  -2.484   2.788
  640    H6   SXO 101           H6A      SXO 101  -0.520  -4.198   1.404
  641    H6A  SXO 101           H6B      SXO 101   1.232  -4.368   1.288
  642    H7   SXO 101           H7A      SXO 101  -0.340  -1.944   0.379
  643    H7A  SXO 101           H7B      SXO 101   0.308  -3.205  -0.685
  644    H8   SXO 101           H8C      SXO 101   2.572  -2.657   0.091
  645    H8A  SXO 101           H8A      SXO 101   1.910  -1.389   1.121
  646    H8B  SXO 101           H8B      SXO 101   1.783  -1.259  -0.636
  Start of MODEL    8
    1    H1   ALA   1           HT1      ALA   1  11.171   7.987  -6.368
    2    H2   ALA   1           HT2      ALA   1   9.576   7.983  -6.802
    3    H3   ALA   1           HT3      ALA   1  10.447   6.536  -6.869
    4    HA   ALA   1           HA       ALA   1   9.080   6.512  -4.909
    5    HB1  ALA   1           HB1      ALA   1  11.310   5.549  -4.723
    6    HB2  ALA   1           HB2      ALA   1  10.818   6.296  -3.204
    7    HB3  ALA   1           HB3      ALA   1  11.961   7.123  -4.264
    8    H    ALA   2           HN       ALA   2   8.642   7.578  -2.739
    9    HA   ALA   2           HA       ALA   2   9.131  10.415  -2.594
   10    HB1  ALA   2           HB1      ALA   2   7.223  10.231  -4.131
   11    HB2  ALA   2           HB2      ALA   2   6.764  10.963  -2.595
   12    HB3  ALA   2           HB3      ALA   2   6.361   9.272  -2.928
   13    H    THR   3           HN       THR   3   7.449  11.121  -0.616
   14    HA   THR   3           HA       THR   3   8.350   9.358   1.516
   15    HB   THR   3           HB       THR   3   7.107  12.069   1.945
   16    HG1  THR   3           HG1      THR   3   8.475  12.511   0.342
   17   HG21  THR   3          HG21      THR   3   7.867  10.838   3.954
   18   HG22  THR   3          HG22      THR   3   8.923  12.218   3.664
   19   HG23  THR   3          HG23      THR   3   9.438  10.602   3.192
   20    H    GLN   4           HN       GLN   4   6.647   9.638   3.570
   21    HA   GLN   4           HA       GLN   4   4.874   7.633   3.118
   22    HB2  GLN   4           HB2      GLN   4   4.631   9.754   5.232
   23    HB3  GLN   4           HB1      GLN   4   3.688   8.277   5.166
   24    HG2  GLN   4           HG2      GLN   4   5.789   6.990   5.283
   25    HG3  GLN   4           HG1      GLN   4   6.648   8.513   5.536
   26   HE21  GLN   4          HE21      GLN   4   4.414   6.220   6.889
   27   HE22  GLN   4          HE22      GLN   4   4.501   6.808   8.507
   28    H    GLU   5           HN       GLU   5   3.844  11.054   3.257
   29    HA   GLU   5           HA       GLU   5   1.115  10.427   2.819
   30    HB2  GLU   5           HB2      GLU   5   1.904  12.517   3.855
   31    HB3  GLU   5           HB1      GLU   5   2.615  13.002   2.328
   32    HG2  GLU   5           HG2      GLU   5   0.396  13.083   1.318
   33    HG3  GLU   5           HG1      GLU   5  -0.318  12.594   2.856
   34    H    GLU   6           HN       GLU   6   3.761  11.266   0.767
   35    HA   GLU   6           HA       GLU   6   2.318  11.591  -1.665
   36    HB2  GLU   6           HB2      GLU   6   5.207  10.871  -1.234
   37    HB3  GLU   6           HB1      GLU   6   4.521  11.620  -2.673
   38    HG2  GLU   6           HG2      GLU   6   4.012  13.623  -1.403
   39    HG3  GLU   6           HG1      GLU   6   4.617  12.864   0.065
   40    H    ILE   7           HN       ILE   7   3.965   8.952  -0.050
   41    HA   ILE   7           HA       ILE   7   3.799   7.046  -2.029
   42    HB   ILE   7           HB       ILE   7   3.795   6.690   0.975
   43   HG12  ILE   7          HG12      ILE   7   5.863   7.621   0.078
   44   HG13  ILE   7          HG11      ILE   7   6.134   5.987   0.663
   45   HG21  ILE   7          HG21      ILE   7   4.102   4.542  -1.127
   46   HG22  ILE   7          HG22      ILE   7   2.754   4.718  -0.003
   47   HG23  ILE   7          HG23      ILE   7   4.361   4.314   0.603
   48   HD11  ILE   7          HD11      ILE   7   6.071   5.162  -1.637
   49   HD12  ILE   7          HD12      ILE   7   7.315   6.392  -1.403
   50   HD13  ILE   7          HD13      ILE   7   5.805   6.810  -2.214
   51    H    VAL   8           HN       VAL   8   1.715   7.701   0.797
   52    HA   VAL   8           HA       VAL   8  -0.366   5.905   0.398
   53    HB   VAL   8           HB       VAL   8  -0.453   8.696   1.614
   54   HG11  VAL   8          HG11      VAL   8  -2.519   7.995   2.716
   55   HG12  VAL   8          HG12      VAL   8  -2.476   6.470   1.827
   56   HG13  VAL   8          HG13      VAL   8  -2.705   7.988   0.961
   57   HG21  VAL   8          HG21      VAL   8  -0.384   7.496   3.738
   58   HG22  VAL   8          HG22      VAL   8   1.032   7.147   2.745
   59   HG23  VAL   8          HG23      VAL   8  -0.274   5.966   2.867
   60    H    ALA   9           HN       ALA   9  -0.101   9.242  -0.791
   61    HA   ALA   9           HA       ALA   9  -2.480   9.413  -2.213
   62    HB1  ALA   9           HB1      ALA   9  -1.000  11.317  -1.791
   63    HB2  ALA   9           HB2      ALA   9  -1.390  11.174  -3.507
   64    HB3  ALA   9           HB3      ALA   9   0.185  10.636  -2.907
   65    H    GLY  10           HN       GLY  10   0.638   8.064  -3.167
   66    HA2  GLY  10           HA2      GLY  10  -0.096   7.501  -5.863
   67    HA3  GLY  10           HA1      GLY  10   1.286   6.823  -4.998
   68    H    LEU  11           HN       LEU  11   0.016   5.643  -2.871
   69    HA   LEU  11           HA       LEU  11  -0.599   3.090  -3.747
   70    HB2  LEU  11           HB2      LEU  11  -1.436   4.466  -1.199
   71    HB3  LEU  11           HB1      LEU  11  -1.674   2.761  -1.495
   72    HG   LEU  11           HG       LEU  11   1.019   4.126  -1.378
   73   HD11  LEU  11          HD11      LEU  11  -0.117   4.150   0.795
   74   HD12  LEU  11          HD12      LEU  11   1.241   3.027   0.798
   75   HD13  LEU  11          HD13      LEU  11  -0.409   2.416   0.661
   76   HD21  LEU  11          HD21      LEU  11   0.251   1.206  -1.426
   77   HD22  LEU  11          HD22      LEU  11   1.890   1.843  -1.274
   78   HD23  LEU  11          HD23      LEU  11   0.976   2.100  -2.760
   79    H    ALA  12           HN       ALA  12  -2.792   5.658  -2.778
   80    HA   ALA  12           HA       ALA  12  -5.169   4.257  -3.105
   81    HB1  ALA  12           HB1      ALA  12  -6.278   6.357  -3.159
   82    HB2  ALA  12           HB2      ALA  12  -4.753   7.207  -3.466
   83    HB3  ALA  12           HB3      ALA  12  -5.023   6.369  -1.922
   84    H    GLU  13           HN       GLU  13  -3.210   5.964  -5.467
   85    HA   GLU  13           HA       GLU  13  -5.067   6.112  -7.570
   86    HB2  GLU  13           HB2      GLU  13  -2.057   5.861  -7.641
   87    HB3  GLU  13           HB1      GLU  13  -3.050   6.191  -9.050
   88    HG2  GLU  13           HG2      GLU  13  -2.889   7.941  -6.610
   89    HG3  GLU  13           HG1      GLU  13  -1.979   8.192  -8.101
   90    H    ILE  14           HN       ILE  14  -2.985   3.510  -6.491
   91    HA   ILE  14           HA       ILE  14  -3.918   1.933  -8.713
   92    HB   ILE  14           HB       ILE  14  -2.218   0.920  -6.385
   93   HG12  ILE  14          HG12      ILE  14  -0.438   0.764  -8.297
   94   HG13  ILE  14          HG11      ILE  14  -1.432   1.967  -9.102
   95   HG21  ILE  14          HG21      ILE  14  -1.768  -0.998  -7.842
   96   HG22  ILE  14          HG22      ILE  14  -2.893  -0.323  -9.034
   97   HG23  ILE  14          HG23      ILE  14  -3.482  -0.824  -7.445
   98   HD11  ILE  14          HD11      ILE  14  -1.098   3.473  -7.182
   99   HD12  ILE  14          HD12      ILE  14   0.410   3.006  -7.971
  100   HD13  ILE  14          HD13      ILE  14  -0.049   2.251  -6.450
  101    H    VAL  15           HN       VAL  15  -4.527   2.202  -5.238
  102    HA   VAL  15           HA       VAL  15  -6.212  -0.043  -5.049
  103    HB   VAL  15           HB       VAL  15  -6.562   2.457  -3.348
  104   HG11  VAL  15          HG11      VAL  15  -7.459   0.893  -1.669
  105   HG12  VAL  15          HG12      VAL  15  -7.255  -0.438  -2.808
  106   HG13  VAL  15          HG13      VAL  15  -8.402   0.855  -3.160
  107   HG21  VAL  15          HG21      VAL  15  -5.103   1.386  -1.711
  108   HG22  VAL  15          HG22      VAL  15  -4.244   1.701  -3.221
  109   HG23  VAL  15          HG23      VAL  15  -4.795   0.067  -2.839
  110    H    ASN  16           HN       ASN  16  -6.840   3.105  -6.431
  111    HA   ASN  16           HA       ASN  16  -9.641   2.971  -6.556
  112    HB2  ASN  16           HB2      ASN  16  -7.679   4.263  -8.438
  113    HB3  ASN  16           HB1      ASN  16  -9.407   4.312  -8.708
  114   HD21  ASN  16          HD21      ASN  16 -10.706   5.358  -7.055
  115   HD22  ASN  16          HD22      ASN  16  -9.998   6.650  -6.177
  116    H    GLU  17           HN       GLU  17  -7.224   1.801  -8.807
  117    HA   GLU  17           HA       GLU  17  -9.296   0.792 -10.528
  118    HB2  GLU  17           HB2      GLU  17  -7.503  -0.093 -11.955
  119    HB3  GLU  17           HB1      GLU  17  -7.286   1.605 -11.588
  120    HG2  GLU  17           HG2      GLU  17  -5.588   1.018  -9.927
  121    HG3  GLU  17           HG1      GLU  17  -5.814  -0.688 -10.312
  122    H    ILE  18           HN       ILE  18  -7.459  -0.458  -7.959
  123    HA   ILE  18           HA       ILE  18  -7.957  -3.232  -8.565
  124    HB   ILE  18           HB       ILE  18  -6.983  -1.896  -6.021
  125   HG12  ILE  18          HG12      ILE  18  -5.445  -1.566  -7.847
  126   HG13  ILE  18          HG11      ILE  18  -4.765  -2.725  -6.711
  127   HG21  ILE  18          HG21      ILE  18  -6.973  -4.816  -6.756
  128   HG22  ILE  18          HG22      ILE  18  -7.964  -4.055  -5.512
  129   HG23  ILE  18          HG23      ILE  18  -6.208  -4.113  -5.331
  130   HD11  ILE  18          HD11      ILE  18  -6.077  -3.372  -9.339
  131   HD12  ILE  18          HD12      ILE  18  -5.421  -4.548  -8.201
  132   HD13  ILE  18          HD13      ILE  18  -4.342  -3.402  -9.004
  133    H    ALA  19           HN       ALA  19  -9.153  -0.946  -6.110
  134    HA   ALA  19           HA       ALA  19 -11.481  -2.699  -5.744
  135    HB1  ALA  19           HB1      ALA  19 -10.198  -0.865  -3.724
  136    HB2  ALA  19           HB2      ALA  19 -10.010  -2.615  -3.787
  137    HB3  ALA  19           HB3      ALA  19 -11.593  -1.914  -3.443
  138    H    GLY  20           HN       GLY  20 -10.458   0.667  -5.386
  139    HA2  GLY  20           HA2      GLY  20 -11.670   2.415  -6.569
  140    HA3  GLY  20           HA1      GLY  20 -13.141   1.468  -6.339
  141    H    ILE  21           HN       ILE  21 -10.951   3.701  -4.959
  142    HA   ILE  21           HA       ILE  21 -12.729   3.981  -2.666
  143    HB   ILE  21           HB       ILE  21 -10.542   4.593  -1.359
  144   HG12  ILE  21          HG12      ILE  21  -8.626   3.080  -1.940
  145   HG13  ILE  21          HG11      ILE  21  -9.450   2.661  -3.426
  146   HG21  ILE  21          HG21      ILE  21 -10.377   2.316  -0.498
  147   HG22  ILE  21          HG22      ILE  21 -11.363   1.750  -1.850
  148   HG23  ILE  21          HG23      ILE  21 -12.040   2.874  -0.670
  149   HD11  ILE  21          HD11      ILE  21  -9.237   5.003  -4.161
  150   HD12  ILE  21          HD12      ILE  21  -7.702   4.215  -3.881
  151   HD13  ILE  21          HD13      ILE  21  -8.326   5.365  -2.687
  152    HA   PRO  22           HA       PRO  22 -12.042   8.311  -3.440
  153    HB2  PRO  22           HB2      PRO  22 -12.284   8.951  -0.590
  154    HB3  PRO  22           HB1      PRO  22 -13.423   9.312  -1.888
  155    HG2  PRO  22           HG2      PRO  22 -13.936   7.504   0.081
  156    HG3  PRO  22           HG1      PRO  22 -14.617   7.378  -1.551
  157    HD2  PRO  22           HD2      PRO  22 -12.283   5.941  -0.349
  158    HD3  PRO  22           HD1      PRO  22 -13.558   5.319  -1.423
  159    H    VAL  23           HN       VAL  23 -10.122   9.369  -3.587
  160    HA   VAL  23           HA       VAL  23  -7.832   8.203  -2.371
  161    HB   VAL  23           HB       VAL  23  -6.516   9.986  -3.496
  162   HG11  VAL  23          HG11      VAL  23  -7.039   7.916  -4.662
  163   HG12  VAL  23          HG12      VAL  23  -7.032   9.282  -5.781
  164   HG13  VAL  23          HG13      VAL  23  -8.563   8.605  -5.224
  165   HG21  VAL  23          HG21      VAL  23  -8.129  11.783  -3.336
  166   HG22  VAL  23          HG22      VAL  23  -9.233  10.912  -4.386
  167   HG23  VAL  23          HG23      VAL  23  -7.698  11.522  -5.033
  168    H    GLU  24           HN       GLU  24  -9.840  10.903  -1.556
  169    HA   GLU  24           HA       GLU  24  -7.902  11.937   0.301
  170    HB2  GLU  24           HB2      GLU  24  -9.636  13.508   0.982
  171    HB3  GLU  24           HB1      GLU  24  -9.467  13.470  -0.764
  172    HG2  GLU  24           HG2      GLU  24 -11.472  12.159  -0.970
  173    HG3  GLU  24           HG1      GLU  24 -11.614  12.053   0.787
  174    H    ASP  25           HN       ASP  25  -9.960   9.344   0.279
  175    HA   ASP  25           HA       ASP  25 -10.550   9.461   3.101
  176    HB2  ASP  25           HB2      ASP  25 -12.064   8.331   1.395
  177    HB3  ASP  25           HB1      ASP  25 -10.858   7.063   1.302
  178    H    VAL  26           HN       VAL  26  -8.375   7.940   0.882
  179    HA   VAL  26           HA       VAL  26  -7.122   6.254   2.806
  180    HB   VAL  26           HB       VAL  26  -6.034   7.160   0.116
  181   HG11  VAL  26          HG11      VAL  26  -4.742   5.076   0.188
  182   HG12  VAL  26          HG12      VAL  26  -5.389   4.733   1.792
  183   HG13  VAL  26          HG13      VAL  26  -4.344   6.131   1.545
  184   HG21  VAL  26          HG21      VAL  26  -6.989   5.091  -0.790
  185   HG22  VAL  26          HG22      VAL  26  -8.239   6.167  -0.161
  186   HG23  VAL  26          HG23      VAL  26  -7.738   4.759   0.774
  187    H    LYS  27           HN       LYS  27  -6.687   7.609   4.435
  188    HA   LYS  27           HA       LYS  27  -4.672   9.711   4.206
  189    HB2  LYS  27           HB2      LYS  27  -6.356   8.750   6.532
  190    HB3  LYS  27           HB1      LYS  27  -5.285  10.139   6.566
  191    HG2  LYS  27           HG2      LYS  27  -6.672  11.310   4.981
  192    HG3  LYS  27           HG1      LYS  27  -7.688   9.881   4.765
  193    HD2  LYS  27           HD2      LYS  27  -8.383   9.996   7.090
  194    HD3  LYS  27           HD1      LYS  27  -7.317  11.372   7.361
  195    HE2  LYS  27           HE2      LYS  27  -9.620  12.105   7.090
  196    HE3  LYS  27           HE1      LYS  27  -8.616  12.694   5.771
  197    HZ1  LYS  27           HZ1      LYS  27 -10.450  10.334   5.592
  198    HZ2  LYS  27           HZ2      LYS  27  -9.555  11.053   4.310
  199    HZ3  LYS  27           HZ3      LYS  27 -10.770  11.903   5.058
  200    H    LEU  28           HN       LEU  28  -3.497   9.398   6.791
  201    HA   LEU  28           HA       LEU  28  -1.686   7.248   6.167
  202    HB2  LEU  28           HB2      LEU  28  -1.643   9.490   8.127
  203    HB3  LEU  28           HB1      LEU  28  -0.627   8.105   8.438
  204    HG   LEU  28           HG       LEU  28   0.621   9.894   7.362
  205   HD11  LEU  28          HD11      LEU  28   1.324   7.630   6.963
  206   HD12  LEU  28          HD12      LEU  28   1.616   8.625   5.536
  207   HD13  LEU  28          HD13      LEU  28   0.247   7.513   5.571
  208   HD21  LEU  28          HD21      LEU  28  -1.157  10.963   6.075
  209   HD22  LEU  28          HD22      LEU  28  -1.267   9.543   5.032
  210   HD23  LEU  28          HD23      LEU  28   0.196  10.527   5.027
  211    H    ASP  29           HN       ASP  29  -4.186   7.709   8.606
  212    HA   ASP  29           HA       ASP  29  -3.413   5.113   9.710
  213    HB2  ASP  29           HB2      ASP  29  -3.801   6.815  11.437
  214    HB3  ASP  29           HB1      ASP  29  -5.387   7.168  10.771
  215    H    LYS  30           HN       LYS  30  -3.950   4.310   7.711
  216    HA   LYS  30           HA       LYS  30  -6.738   3.415   7.527
  217    HB2  LYS  30           HB2      LYS  30  -4.993   4.467   5.305
  218    HB3  LYS  30           HB1      LYS  30  -6.449   3.519   5.026
  219    HG2  LYS  30           HG2      LYS  30  -6.428   5.980   6.663
  220    HG3  LYS  30           HG1      LYS  30  -6.645   6.047   4.902
  221    HD2  LYS  30           HD2      LYS  30  -8.606   4.661   5.046
  222    HD3  LYS  30           HD1      LYS  30  -8.339   4.385   6.766
  223    HE2  LYS  30           HE2      LYS  30  -8.866   6.619   7.293
  224    HE3  LYS  30           HE1      LYS  30  -8.789   7.098   5.594
  225    HZ1  LYS  30           HZ1      LYS  30 -10.779   5.217   6.740
  226    HZ2  LYS  30           HZ2      LYS  30 -10.764   5.838   5.143
  227    HZ3  LYS  30           HZ3      LYS  30 -11.061   6.861   6.439
  228    H    SER  31           HN       SER  31  -6.914   1.329   7.026
  229    HA   SER  31           HA       SER  31  -4.564  -0.086   6.089
  230    HB2  SER  31           HB2      SER  31  -4.622  -0.678   8.324
  231    HB3  SER  31           HB1      SER  31  -6.379  -0.809   8.407
  232    HG   SER  31           HG       SER  31  -4.411  -2.574   7.476
  233    H    PHE  32           HN       PHE  32  -5.201  -2.110   4.839
  234    HA   PHE  32           HA       PHE  32  -6.997  -1.051   2.913
  235    HB2  PHE  32           HB2      PHE  32  -5.412  -3.615   2.982
  236    HB3  PHE  32           HB1      PHE  32  -6.330  -3.033   1.592
  237    HD1  PHE  32           HD1      PHE  32  -3.428  -2.319   3.781
  238    HD2  PHE  32           HD2      PHE  32  -5.452  -1.363   0.160
  239    HE1  PHE  32           HE1      PHE  32  -1.486  -1.011   3.050
  240    HE2  PHE  32           HE2      PHE  32  -3.502  -0.047  -0.579
  241    HZ   PHE  32           HZ       PHE  32  -1.511   0.128   0.882
  242    H    THR  33           HN       THR  33  -7.026  -3.841   5.081
  243    HA   THR  33           HA       THR  33  -9.724  -4.164   4.178
  244    HB   THR  33           HB       THR  33  -9.513  -6.400   5.200
  245    HG1  THR  33           HG1      THR  33  -7.670  -6.982   6.069
  246   HG21  THR  33          HG21      THR  33  -7.617  -5.724   2.948
  247   HG22  THR  33          HG22      THR  33  -9.333  -6.094   2.790
  248   HG23  THR  33          HG23      THR  33  -8.204  -7.346   3.313
  249    H    ASP  34           HN       ASP  34  -8.841  -2.287   6.123
  250    HA   ASP  34           HA       ASP  34 -10.550  -3.174   8.339
  251    HB2  ASP  34           HB2      ASP  34  -8.341  -3.391   9.231
  252    HB3  ASP  34           HB1      ASP  34  -7.878  -1.824   8.586
  253    H    ASP  35           HN       ASP  35  -9.065  -0.443   6.644
  254    HA   ASP  35           HA       ASP  35 -11.291   1.192   7.667
  255    HB2  ASP  35           HB2      ASP  35  -8.618   1.620   8.094
  256    HB3  ASP  35           HB1      ASP  35  -8.912   2.538   6.638
  257    H    LEU  36           HN       LEU  36 -10.290  -0.379   4.932
  258    HA   LEU  36           HA       LEU  36 -11.066   1.877   3.200
  259    HB2  LEU  36           HB2      LEU  36  -9.387  -0.525   2.435
  260    HB3  LEU  36           HB1      LEU  36  -9.843   0.786   1.372
  261    HG   LEU  36           HG       LEU  36  -7.915   0.849   3.667
  262   HD11  LEU  36          HD11      LEU  36  -7.032   0.024   1.575
  263   HD12  LEU  36          HD12      LEU  36  -6.349   1.601   1.962
  264   HD13  LEU  36          HD13      LEU  36  -7.614   1.465   0.741
  265   HD21  LEU  36          HD21      LEU  36  -7.655   3.228   3.242
  266   HD22  LEU  36          HD22      LEU  36  -9.278   2.781   3.801
  267   HD23  LEU  36          HD23      LEU  36  -9.008   3.153   2.090
  268    H    ASP  37           HN       ASP  37 -11.497   0.431   0.867
  269    HA   ASP  37           HA       ASP  37 -14.198  -0.385   1.129
  270    HB2  ASP  37           HB2      ASP  37 -13.242   0.494  -0.989
  271    HB3  ASP  37           HB1      ASP  37 -12.282  -0.972  -1.150
  272    H    VAL  38           HN       VAL  38 -11.244  -2.013   1.405
  273    HA   VAL  38           HA       VAL  38 -10.624  -3.971   2.178
  274    HB   VAL  38           HB       VAL  38 -13.537  -4.577   2.410
  275   HG11  VAL  38          HG11      VAL  38 -12.151  -6.614   2.142
  276   HG12  VAL  38          HG12      VAL  38 -12.838  -6.568   3.774
  277   HG13  VAL  38          HG13      VAL  38 -11.144  -6.127   3.496
  278   HG21  VAL  38          HG21      VAL  38 -11.496  -3.830   4.514
  279   HG22  VAL  38          HG22      VAL  38 -13.165  -4.285   4.854
  280   HG23  VAL  38          HG23      VAL  38 -12.820  -2.824   3.930
  281    H    ASP  39           HN       ASP  39  -9.743  -4.212   0.104
  282    HA   ASP  39           HA       ASP  39 -10.941  -6.491  -1.185
  283    HB2  ASP  39           HB2      ASP  39  -9.259  -6.093  -2.888
  284    HB3  ASP  39           HB1      ASP  39 -10.447  -4.797  -2.814
  285    H    SER  40           HN       SER  40 -10.312  -8.227  -0.220
  286    HA   SER  40           HA       SER  40  -7.977  -8.180   1.514
  287    HB2  SER  40           HB2      SER  40  -9.068 -10.057   2.530
  288    HB3  SER  40           HB1      SER  40 -10.294  -8.923   2.008
  289    H    LEU  41           HN       LEU  41  -9.053 -10.210  -1.155
  290    HA   LEU  41           HA       LEU  41  -6.401 -11.270  -1.191
  291    HB2  LEU  41           HB2      LEU  41  -8.714 -12.494  -1.507
  292    HB3  LEU  41           HB1      LEU  41  -8.469 -12.000  -3.179
  293    HG   LEU  41           HG       LEU  41  -6.286 -13.013  -3.124
  294   HD11  LEU  41          HD11      LEU  41  -7.212 -14.101  -0.457
  295   HD12  LEU  41          HD12      LEU  41  -5.990 -12.888  -0.659
  296   HD13  LEU  41          HD13      LEU  41  -5.690 -14.538  -1.246
  297   HD21  LEU  41          HD21      LEU  41  -8.181 -14.233  -4.063
  298   HD22  LEU  41          HD22      LEU  41  -8.581 -14.869  -2.467
  299   HD23  LEU  41          HD23      LEU  41  -7.083 -15.355  -3.260
  300    H    SER  42           HN       SER  42  -8.528  -9.225  -2.923
  301    HA   SER  42           HA       SER  42  -7.157  -8.999  -5.336
  302    HB2  SER  42           HB2      SER  42  -9.502  -8.355  -4.945
  303    HB3  SER  42           HB1      SER  42  -8.954  -7.017  -3.941
  304    HG   SER  42           HG       SER  42  -7.670  -6.723  -6.164
  305    H    MET  43           HN       MET  43  -6.538  -7.579  -2.212
  306    HA   MET  43           HA       MET  43  -5.150  -5.289  -2.943
  307    HB2  MET  43           HB2      MET  43  -5.909  -5.929  -0.632
  308    HB3  MET  43           HB1      MET  43  -4.496  -6.973  -0.545
  309    HG2  MET  43           HG2      MET  43  -3.188  -4.874  -1.209
  310    HG3  MET  43           HG1      MET  43  -4.611  -3.981  -0.693
  311    HE1  MET  43           HE1      MET  43  -1.885  -6.616   1.894
  312    HE2  MET  43           HE2      MET  43  -1.696  -6.297   0.172
  313    HE3  MET  43           HE3      MET  43  -2.998  -7.335   0.748
  314    H    VAL  44           HN       VAL  44  -4.174  -8.595  -3.136
  315    HA   VAL  44           HA       VAL  44  -1.388  -8.344  -2.997
  316    HB   VAL  44           HB       VAL  44  -2.962 -10.236  -4.782
  317   HG11  VAL  44          HG11      VAL  44  -0.962 -11.650  -4.720
  318   HG12  VAL  44          HG12      VAL  44  -0.110 -10.406  -3.803
  319   HG13  VAL  44          HG13      VAL  44  -0.622 -10.084  -5.457
  320   HG21  VAL  44          HG21      VAL  44  -2.663 -11.858  -2.978
  321   HG22  VAL  44          HG22      VAL  44  -3.575 -10.444  -2.444
  322   HG23  VAL  44          HG23      VAL  44  -1.874 -10.618  -2.002
  323    H    GLU  45           HN       GLU  45  -3.636  -7.550  -5.532
  324    HA   GLU  45           HA       GLU  45  -1.657  -7.214  -7.529
  325    HB2  GLU  45           HB2      GLU  45  -4.510  -6.294  -7.382
  326    HB3  GLU  45           HB1      GLU  45  -3.476  -6.086  -8.792
  327    HG2  GLU  45           HG2      GLU  45  -4.288  -8.701  -7.545
  328    HG3  GLU  45           HG1      GLU  45  -4.904  -8.015  -9.050
  329    H    VAL  46           HN       VAL  46  -3.184  -5.014  -5.192
  330    HA   VAL  46           HA       VAL  46  -1.858  -2.813  -6.427
  331    HB   VAL  46           HB       VAL  46  -3.992  -2.315  -5.346
  332   HG11  VAL  46          HG11      VAL  46  -4.297  -2.322  -2.947
  333   HG12  VAL  46          HG12      VAL  46  -2.688  -3.020  -2.748
  334   HG13  VAL  46          HG13      VAL  46  -3.951  -3.938  -3.574
  335   HG21  VAL  46          HG21      VAL  46  -2.416  -0.486  -5.460
  336   HG22  VAL  46          HG22      VAL  46  -1.709  -0.963  -3.919
  337   HG23  VAL  46          HG23      VAL  46  -3.371  -0.369  -3.982
  338    H    VAL  47           HN       VAL  47  -1.134  -4.972  -3.784
  339    HA   VAL  47           HA       VAL  47   1.020  -3.336  -2.919
  340    HB   VAL  47           HB       VAL  47   0.083  -4.999  -1.344
  341   HG11  VAL  47          HG11      VAL  47  -0.352  -6.844  -2.838
  342   HG12  VAL  47          HG12      VAL  47   0.657  -7.364  -1.486
  343   HG13  VAL  47          HG13      VAL  47   1.377  -7.086  -3.076
  344   HG21  VAL  47          HG21      VAL  47   2.302  -4.142  -0.923
  345   HG22  VAL  47          HG22      VAL  47   3.007  -5.406  -1.927
  346   HG23  VAL  47          HG23      VAL  47   2.198  -5.830  -0.418
  347    H    VAL  48           HN       VAL  48   0.848  -6.000  -5.244
  348    HA   VAL  48           HA       VAL  48   3.652  -5.980  -5.672
  349    HB   VAL  48           HB       VAL  48   2.153  -7.919  -6.301
  350   HG11  VAL  48          HG11      VAL  48   1.372  -6.213  -8.641
  351   HG12  VAL  48          HG12      VAL  48   0.325  -6.768  -7.332
  352   HG13  VAL  48          HG13      VAL  48   1.022  -7.932  -8.457
  353   HG21  VAL  48          HG21      VAL  48   3.910  -6.875  -8.512
  354   HG22  VAL  48          HG22      VAL  48   3.349  -8.539  -8.348
  355   HG23  VAL  48          HG23      VAL  48   4.420  -7.846  -7.130
  356    H    ALA  49           HN       ALA  49   0.988  -4.144  -6.943
  357    HA   ALA  49           HA       ALA  49   2.444  -2.902  -9.046
  358    HB1  ALA  49           HB1      ALA  49  -0.056  -1.980  -7.634
  359    HB2  ALA  49           HB2      ALA  49  -0.002  -3.024  -9.053
  360    HB3  ALA  49           HB3      ALA  49   0.562  -1.359  -9.163
  361    H    ALA  50           HN       ALA  50   1.973  -2.276  -5.657
  362    HA   ALA  50           HA       ALA  50   2.814   0.365  -5.610
  363    HB1  ALA  50           HB1      ALA  50   3.215   0.025  -3.223
  364    HB2  ALA  50           HB2      ALA  50   3.129  -1.728  -3.466
  365    HB3  ALA  50           HB3      ALA  50   1.701  -0.731  -3.735
  366    H    GLU  51           HN       GLU  51   4.606  -2.653  -5.554
  367    HA   GLU  51           HA       GLU  51   7.159  -1.766  -4.973
  368    HB2  GLU  51           HB2      GLU  51   6.402  -3.843  -7.022
  369    HB3  GLU  51           HB1      GLU  51   7.944  -3.700  -6.190
  370    HG2  GLU  51           HG2      GLU  51   6.702  -4.096  -4.056
  371    HG3  GLU  51           HG1      GLU  51   5.290  -4.454  -5.030
  372    H    GLU  52           HN       GLU  52   5.648  -2.127  -8.141
  373    HA   GLU  52           HA       GLU  52   7.849  -1.056  -9.575
  374    HB2  GLU  52           HB2      GLU  52   6.346  -1.193 -11.536
  375    HB3  GLU  52           HB1      GLU  52   6.432  -2.690 -10.621
  376    HG2  GLU  52           HG2      GLU  52   4.300  -2.122  -9.535
  377    HG3  GLU  52           HG1      GLU  52   4.212  -0.661 -10.490
  378    H    ARG  53           HN       ARG  53   5.052   0.402  -8.135
  379    HA   ARG  53           HA       ARG  53   5.307   2.783  -9.784
  380    HB2  ARG  53           HB2      ARG  53   3.416   2.291  -7.473
  381    HB3  ARG  53           HB1      ARG  53   3.363   3.664  -8.568
  382    HG2  ARG  53           HG2      ARG  53   2.937   0.781  -9.335
  383    HG3  ARG  53           HG1      ARG  53   1.674   1.992  -9.120
  384    HD2  ARG  53           HD2      ARG  53   2.382   3.192 -11.014
  385    HD3  ARG  53           HD1      ARG  53   3.920   2.334 -11.078
  386    HE   ARG  53           HE       ARG  53   1.988   0.403 -11.361
  387   HH11  ARG  53          HH11      ARG  53   2.677   3.375 -13.190
  388   HH12  ARG  53          HH12      ARG  53   2.325   2.614 -14.688
  389   HH21  ARG  53          HH21      ARG  53   1.630  -0.547 -13.381
  390   HH22  ARG  53          HH22      ARG  53   1.760   0.370 -14.826
  391    H    PHE  54           HN       PHE  54   6.285   1.749  -6.587
  392    HA   PHE  54           HA       PHE  54   6.983   4.530  -6.016
  393    HB2  PHE  54           HB2      PHE  54   6.536   2.272  -4.080
  394    HB3  PHE  54           HB1      PHE  54   7.037   3.902  -3.631
  395    HD1  PHE  54           HD2      PHE  54   5.560   5.817  -4.421
  396    HD2  PHE  54           HD1      PHE  54   4.320   1.769  -4.280
  397    HE1  PHE  54           HE2      PHE  54   3.222   6.525  -4.469
  398    HE2  PHE  54           HE1      PHE  54   1.989   2.472  -4.344
  399    HZ   PHE  54           HZ       PHE  54   1.442   4.847  -4.435
  400    H    ASP  55           HN       ASP  55   8.523   2.085  -7.329
  401    HA   ASP  55           HA       ASP  55  10.731   1.534  -7.665
  402    HB2  ASP  55           HB2      ASP  55  11.312   3.865  -5.787
  403    HB3  ASP  55           HB1      ASP  55  12.537   2.972  -6.662
  404    H    VAL  56           HN       VAL  56   9.189   0.266  -5.605
  405    HA   VAL  56           HA       VAL  56  11.327  -0.333  -3.694
  406    HB   VAL  56           HB       VAL  56   9.515   1.134  -2.742
  407   HG11  VAL  56          HG11      VAL  56   7.361   0.177  -2.105
  408   HG12  VAL  56          HG12      VAL  56   7.742  -1.248  -3.078
  409   HG13  VAL  56          HG13      VAL  56   7.593   0.332  -3.847
  410   HG21  VAL  56          HG21      VAL  56   9.228  -0.079  -0.612
  411   HG22  VAL  56          HG22      VAL  56  10.887  -0.142  -1.204
  412   HG23  VAL  56          HG23      VAL  56   9.833  -1.545  -1.382
  413    H    LYS  57           HN       LYS  57  10.390  -2.482  -2.389
  414    HA   LYS  57           HA       LYS  57   9.040  -4.292  -4.106
  415    HB2  LYS  57           HB2      LYS  57  11.331  -4.616  -4.866
  416    HB3  LYS  57           HB1      LYS  57  11.899  -4.736  -3.206
  417    HG2  LYS  57           HG2      LYS  57  11.176  -6.879  -2.966
  418    HG3  LYS  57           HG1      LYS  57   9.842  -6.677  -4.105
  419    HD2  LYS  57           HD2      LYS  57  12.758  -6.823  -4.851
  420    HD3  LYS  57           HD1      LYS  57  11.612  -8.163  -4.963
  421    HE2  LYS  57           HE2      LYS  57  11.400  -5.522  -6.410
  422    HE3  LYS  57           HE1      LYS  57  11.910  -7.049  -7.128
  423    HZ1  LYS  57           HZ1      LYS  57   9.739  -7.956  -6.762
  424    HZ2  LYS  57           HZ2      LYS  57   9.569  -6.481  -7.559
  425    HZ3  LYS  57           HZ3      LYS  57   9.215  -6.591  -5.911
  426    H    ILE  58           HN       ILE  58   7.926  -5.709  -2.909
  427    HA   ILE  58           HA       ILE  58   8.418  -5.709  -0.019
  428    HB   ILE  58           HB       ILE  58   5.637  -5.381  -1.222
  429   HG12  ILE  58          HG12      ILE  58   7.300  -3.318   0.268
  430   HG13  ILE  58          HG11      ILE  58   7.011  -3.308  -1.467
  431   HG21  ILE  58          HG21      ILE  58   4.948  -5.014   1.117
  432   HG22  ILE  58          HG22      ILE  58   6.607  -5.301   1.642
  433   HG23  ILE  58          HG23      ILE  58   5.680  -6.606   0.899
  434   HD11  ILE  58          HD11      ILE  58   5.583  -1.718  -0.319
  435   HD12  ILE  58          HD12      ILE  58   4.918  -3.013   0.678
  436   HD13  ILE  58          HD13      ILE  58   4.622  -2.997  -1.062
  437    HA   PRO  59           HA       PRO  59   8.098 -10.118  -1.019
  438    HB2  PRO  59           HB2      PRO  59   8.428 -10.214   1.930
  439    HB3  PRO  59           HB1      PRO  59   9.344 -11.051   0.673
  440    HG2  PRO  59           HG2      PRO  59  10.430  -9.017   1.971
  441    HG3  PRO  59           HG1      PRO  59  10.672  -9.198   0.222
  442    HD2  PRO  59           HD2      PRO  59   8.812  -7.382   1.701
  443    HD3  PRO  59           HD1      PRO  59   9.838  -7.037   0.293
  444    H    ASP  60           HN       ASP  60   6.461 -11.548  -0.784
  445    HA   ASP  60           HA       ASP  60   3.874 -10.639  -0.255
  446    HB2  ASP  60           HB2      ASP  60   4.821 -13.504  -0.366
  447    HB3  ASP  60           HB1      ASP  60   3.151 -12.979  -0.476
  448    H    ASP  61           HN       ASP  61   6.029 -12.517   1.807
  449    HA   ASP  61           HA       ASP  61   3.998 -12.830   3.798
  450    HB2  ASP  61           HB2      ASP  61   6.956 -13.405   3.919
  451    HB3  ASP  61           HB1      ASP  61   5.883 -13.629   5.297
  452    H    ASP  62           HN       ASP  62   6.292 -10.382   3.103
  453    HA   ASP  62           HA       ASP  62   6.225  -9.281   5.785
  454    HB2  ASP  62           HB2      ASP  62   8.074  -8.977   3.844
  455    HB3  ASP  62           HB1      ASP  62   7.086  -7.563   3.490
  456    H    VAL  63           HN       VAL  63   4.585  -8.922   2.779
  457    HA   VAL  63           HA       VAL  63   3.058  -6.600   3.139
  458    HB   VAL  63           HB       VAL  63   2.089  -9.224   1.944
  459   HG11  VAL  63          HG11      VAL  63   1.147  -6.401   1.483
  460   HG12  VAL  63          HG12      VAL  63   0.285  -7.665   2.361
  461   HG13  VAL  63          HG13      VAL  63   0.572  -7.830   0.624
  462   HG21  VAL  63          HG21      VAL  63   2.783  -8.328  -0.226
  463   HG22  VAL  63          HG22      VAL  63   4.151  -8.521   0.870
  464   HG23  VAL  63          HG23      VAL  63   3.471  -6.918   0.582
  465    H    LYS  64           HN       LYS  64   2.194  -9.947   3.885
  466    HA   LYS  64           HA       LYS  64  -0.161  -9.441   5.364
  467    HB2  LYS  64           HB2      LYS  64   1.692 -11.819   5.560
  468    HB3  LYS  64           HB1      LYS  64   0.021 -11.764   6.087
  469    HG2  LYS  64           HG2      LYS  64  -0.713 -11.476   3.790
  470    HG3  LYS  64           HG1      LYS  64   0.969 -11.472   3.249
  471    HD2  LYS  64           HD2      LYS  64   1.239 -13.741   4.167
  472    HD3  LYS  64           HD1      LYS  64  -0.462 -13.739   4.630
  473    HE2  LYS  64           HE2      LYS  64  -0.162 -14.943   2.551
  474    HE3  LYS  64           HE1      LYS  64  -1.084 -13.468   2.270
  475    HZ1  LYS  64           HZ1      LYS  64   0.620 -13.889   0.592
  476    HZ2  LYS  64           HZ2      LYS  64   1.823 -13.806   1.733
  477    HZ3  LYS  64           HZ3      LYS  64   0.895 -12.414   1.363
  478    H    ASN  65           HN       ASN  65   3.114  -9.172   6.164
  479    HA   ASN  65           HA       ASN  65   2.901  -9.434   9.007
  480    HB2  ASN  65           HB2      ASN  65   5.053  -9.935   8.257
  481    HB3  ASN  65           HB1      ASN  65   5.071  -8.609   7.104
  482   HD21  ASN  65          HD21      ASN  65   5.830  -6.644   7.739
  483   HD22  ASN  65          HD22      ASN  65   6.487  -6.322   9.301
  484    H    LEU  66           HN       LEU  66   2.543  -6.853   6.696
  485    HA   LEU  66           HA       LEU  66   2.772  -4.760   8.685
  486    HB2  LEU  66           HB2      LEU  66   1.862  -4.661   5.808
  487    HB3  LEU  66           HB1      LEU  66   2.181  -3.274   6.827
  488    HG   LEU  66           HG       LEU  66   4.240  -5.268   5.883
  489   HD11  LEU  66          HD11      LEU  66   3.659  -2.442   5.088
  490   HD12  LEU  66          HD12      LEU  66   3.411  -3.879   4.093
  491   HD13  LEU  66          HD13      LEU  66   5.051  -3.379   4.534
  492   HD21  LEU  66          HD21      LEU  66   5.870  -3.692   6.816
  493   HD22  LEU  66          HD22      LEU  66   4.802  -4.325   8.069
  494   HD23  LEU  66          HD23      LEU  66   4.549  -2.699   7.436
  495    H    LYS  67           HN       LYS  67   0.786  -3.065   8.320
  496    HA   LYS  67           HA       LYS  67  -1.680  -4.514   8.195
  497    HB2  LYS  67           HB2      LYS  67  -2.517  -3.497  10.385
  498    HB3  LYS  67           HB1      LYS  67  -1.390  -4.840  10.499
  499    HG2  LYS  67           HG2      LYS  67   0.417  -3.289  10.936
  500    HG3  LYS  67           HG1      LYS  67  -0.693  -1.940  10.768
  501    HD2  LYS  67           HD2      LYS  67  -1.993  -2.765  12.682
  502    HD3  LYS  67           HD1      LYS  67  -0.835  -4.086  12.882
  503    HE2  LYS  67           HE2      LYS  67  -0.366  -2.229  14.425
  504    HE3  LYS  67           HE1      LYS  67   0.955  -2.490  13.288
  505    HZ1  LYS  67           HZ1      LYS  67   0.196  -0.594  11.993
  506    HZ2  LYS  67           HZ2      LYS  67   0.403  -0.124  13.602
  507    HZ3  LYS  67           HZ3      LYS  67  -1.143  -0.395  13.018
  508    H    THR  68           HN       THR  68  -0.554  -1.154   9.012
  509    HA   THR  68           HA       THR  68  -2.864  -0.293   7.436
  510    HB   THR  68           HB       THR  68  -2.546   1.906   8.418
  511    HG1  THR  68           HG1      THR  68  -0.374   0.855   9.949
  512   HG21  THR  68          HG21      THR  68  -2.380  -0.267  10.515
  513   HG22  THR  68          HG22      THR  68  -3.859   0.334   9.757
  514   HG23  THR  68          HG23      THR  68  -2.918   1.384  10.808
  515    H    VAL  69           HN       VAL  69  -2.303   1.961   6.388
  516    HA   VAL  69           HA       VAL  69  -0.189   1.563   4.511
  517    HB   VAL  69           HB       VAL  69  -0.815   3.839   3.627
  518   HG11  VAL  69          HG11      VAL  69  -3.043   3.233   2.814
  519   HG12  VAL  69          HG12      VAL  69  -3.140   1.959   4.030
  520   HG13  VAL  69          HG13      VAL  69  -1.938   1.860   2.740
  521   HG21  VAL  69          HG21      VAL  69  -1.542   4.857   5.715
  522   HG22  VAL  69          HG22      VAL  69  -2.913   3.750   5.782
  523   HG23  VAL  69          HG23      VAL  69  -2.814   4.942   4.497
  524    H    GLY  70           HN       GLY  70  -0.476   2.881   7.609
  525    HA2  GLY  70           HA2      GLY  70   1.646   4.780   7.446
  526    HA3  GLY  70           HA1      GLY  70   0.919   4.129   8.917
  527    H    ASP  71           HN       ASP  71   1.247   1.431   8.344
  528    HA   ASP  71           HA       ASP  71   3.989   1.037   9.117
  529    HB2  ASP  71           HB2      ASP  71   2.011  -1.073   8.208
  530    HB3  ASP  71           HB1      ASP  71   3.481  -1.336   9.137
  531    H    ALA  72           HN       ALA  72   2.113   0.799   6.248
  532    HA   ALA  72           HA       ALA  72   3.893  -0.706   4.663
  533    HB1  ALA  72           HB1      ALA  72   2.510   0.016   2.800
  534    HB2  ALA  72           HB2      ALA  72   1.733   1.218   3.831
  535    HB3  ALA  72           HB3      ALA  72   1.510  -0.499   4.160
  536    H    THR  73           HN       THR  73   3.187   2.760   4.849
  537    HA   THR  73           HA       THR  73   4.937   3.577   2.916
  538    HB   THR  73           HB       THR  73   4.902   5.788   4.185
  539    HG1  THR  73           HG1      THR  73   2.812   4.632   5.653
  540   HG21  THR  73          HG21      THR  73   3.397   5.217   2.330
  541   HG22  THR  73          HG22      THR  73   2.601   6.223   3.540
  542   HG23  THR  73          HG23      THR  73   2.279   4.488   3.481
  543    H    LYS  74           HN       LYS  74   5.516   3.054   6.353
  544    HA   LYS  74           HA       LYS  74   8.099   4.103   6.532
  545    HB2  LYS  74           HB2      LYS  74   6.841   1.809   8.041
  546    HB3  LYS  74           HB1      LYS  74   8.386   2.531   8.454
  547    HG2  LYS  74           HG2      LYS  74   5.741   3.972   8.431
  548    HG3  LYS  74           HG1      LYS  74   6.553   3.341   9.862
  549    HD2  LYS  74           HD2      LYS  74   7.657   5.452   8.001
  550    HD3  LYS  74           HD1      LYS  74   6.922   5.757   9.577
  551    HE2  LYS  74           HE2      LYS  74   8.685   4.359  10.617
  552    HE3  LYS  74           HE1      LYS  74   9.432   4.172   9.035
  553    HZ1  LYS  74           HZ1      LYS  74   9.076   6.699  10.541
  554    HZ2  LYS  74           HZ2      LYS  74   9.692   6.627   8.974
  555    HZ3  LYS  74           HZ3      LYS  74  10.525   5.891  10.251
  556    H    TYR  75           HN       TYR  75   7.035   0.797   5.847
  557    HA   TYR  75           HA       TYR  75   9.621  -0.247   5.450
  558    HB2  TYR  75           HB2      TYR  75   7.693  -1.702   5.934
  559    HB3  TYR  75           HB1      TYR  75   6.961  -1.261   4.395
  560    HD1  TYR  75           HD1      TYR  75   9.892  -2.963   5.911
  561    HD2  TYR  75           HD2      TYR  75   7.533  -2.385   2.426
  562    HE1  TYR  75           HE1      TYR  75  11.011  -4.871   4.840
  563    HE2  TYR  75           HE2      TYR  75   8.651  -4.276   1.352
  564    HH   TYR  75           HH       TYR  75  10.717  -5.563   1.533
  565    H    ILE  76           HN       ILE  76   7.238   1.076   3.260
  566    HA   ILE  76           HA       ILE  76   8.517   0.536   0.840
  567    HB   ILE  76           HB       ILE  76   6.613   2.761   1.581
  568   HG12  ILE  76          HG12      ILE  76   6.215   0.224  -0.014
  569   HG13  ILE  76          HG11      ILE  76   5.822   0.414   1.693
  570   HG21  ILE  76          HG21      ILE  76   7.951   3.489  -0.348
  571   HG22  ILE  76          HG22      ILE  76   6.292   3.139  -0.832
  572   HG23  ILE  76          HG23      ILE  76   7.576   1.981  -1.186
  573   HD11  ILE  76          HD11      ILE  76   3.858   0.628   0.297
  574   HD12  ILE  76          HD12      ILE  76   4.640   1.965  -0.572
  575   HD13  ILE  76          HD13      ILE  76   4.250   2.134   1.140
  576    H    LEU  77           HN       LEU  77   8.606   3.600   2.712
  577    HA   LEU  77           HA       LEU  77  10.552   4.624   0.963
  578    HB2  LEU  77           HB2      LEU  77  10.865   6.485   2.592
  579    HB3  LEU  77           HB1      LEU  77   9.228   6.250   2.041
  580    HG   LEU  77           HG       LEU  77   8.832   5.058   4.269
  581   HD11  LEU  77          HD11      LEU  77  11.394   6.467   4.964
  582   HD12  LEU  77          HD12      LEU  77  11.140   4.722   4.920
  583   HD13  LEU  77          HD13      LEU  77  10.284   5.709   6.107
  584   HD21  LEU  77          HD21      LEU  77   9.458   7.997   4.203
  585   HD22  LEU  77          HD22      LEU  77   8.448   7.176   5.399
  586   HD23  LEU  77          HD23      LEU  77   7.948   7.231   3.714
  587    H    ASP  78           HN       ASP  78  10.793   2.537   3.493
  588    HA   ASP  78           HA       ASP  78  13.547   2.971   4.191
  589    HB2  ASP  78           HB2      ASP  78  12.018   1.860   5.732
  590    HB3  ASP  78           HB1      ASP  78  11.761   0.561   4.581
  591    H    HIS  79           HN       HIS  79  11.863   0.794   1.982
  592    HA   HIS  79           HA       HIS  79  14.464  -0.120   0.968
  593    HB2  HIS  79           HB2      HIS  79  11.771  -1.409   0.869
  594    HB3  HIS  79           HB1      HIS  79  13.030  -1.882  -0.263
  595    HD1  HIS  79           HD1      HIS  79  14.921  -3.297   0.612
  596    HD2  HIS  79           HD2      HIS  79  12.320  -2.044   3.580
  597    HE1  HIS  79           HE1      HIS  79  15.499  -4.653   2.623
  598    HE2  HIS  79           HE2      HIS  79  13.678  -4.151   4.225
  599    H    GLN  80           HN       GLN  80  12.553   2.288   0.127
  600    HA   GLN  80           HA       GLN  80  12.106   1.750  -2.638
  601    HB2  GLN  80           HB2      GLN  80  11.450   4.084  -2.847
  602    HB3  GLN  80           HB1      GLN  80  10.722   3.371  -1.415
  603    HG2  GLN  80           HG2      GLN  80  12.421   4.425  -0.023
  604    HG3  GLN  80           HG1      GLN  80  13.157   5.127  -1.458
  605   HE21  GLN  80          HE21      GLN  80   9.696   4.889  -0.995
  606   HE22  GLN  80          HE22      GLN  80   9.457   6.598  -0.760
  607    H    ALA  81           HN       ALA  81  13.224   2.204  -4.382
  608    HA   ALA  81           HA       ALA  81  14.865   2.675  -5.791
  609    HB1  ALA  81           HB1      ALA  81  15.888   4.879  -5.665
  610    HB2  ALA  81           HB2      ALA  81  15.357   5.047  -3.993
  611    HB3  ALA  81           HB3      ALA  81  14.166   4.977  -5.294
  612    H28  SXO 101          H28B      SXO 101  -7.769 -11.269   2.178
  613   H28A  SXO 101          H28A      SXO 101  -6.884 -12.571   1.478
  614    H30  SXO 101          H30A      SXO 101  -9.665 -12.761   3.895
  615   H30A  SXO 101          H30C      SXO 101  -8.619 -12.936   5.310
  616   H30B  SXO 101          H30B      SXO 101  -8.630 -11.419   4.415
  617    H31  SXO 101          H31A      SXO 101  -8.584 -14.780   2.894
  618   H31A  SXO 101          H31B      SXO 101  -7.522 -14.952   4.301
  619   H31B  SXO 101          H31C      SXO 101  -6.835 -14.799   2.672
  620    H32  SXO 101          H32A      SXO 101  -6.293 -11.458   4.337
  621   HO33  SXO 101          H33A      SXO 101  -5.242 -13.532   5.422
  622   HN36  SXO 101          H36A      SXO 101  -5.542 -11.692   1.930
  623    H37  SXO 101          H37A      SXO 101  -2.793 -12.680   2.054
  624   H37A  SXO 101          H37B      SXO 101  -3.819 -13.245   0.732
  625    H38  SXO 101          H38B      SXO 101  -4.117 -10.884   0.045
  626   H38A  SXO 101          H38A      SXO 101  -2.435 -11.420   0.015
  627   HN41  SXO 101          H41A      SXO 101  -4.529 -10.171   2.596
  628    H42  SXO 101          H42A      SXO 101  -2.582  -8.673   3.988
  629   H42A  SXO 101          H42B      SXO 101  -3.513  -7.622   2.933
  630    H43  SXO 101          H43B      SXO 101  -5.576  -8.467   3.914
  631   H43A  SXO 101          H43A      SXO 101  -4.618  -9.249   5.177
  632    H2   SXO 101           H2A      SXO 101  -1.133  -6.112   6.462
  633    H2A  SXO 101           H2B      SXO 101  -2.547  -5.049   6.327
  634    H3   SXO 101           H3B      SXO 101  -1.149  -6.468   4.067
  635    H3A  SXO 101           H3A      SXO 101  -2.527  -5.383   3.907
  636    H4   SXO 101           H4A      SXO 101   0.228  -4.636   4.911
  637    H4A  SXO 101           H4B      SXO 101  -1.148  -3.536   4.759
  638    H5   SXO 101           H5B      SXO 101   0.114  -5.104   2.511
  639    H5A  SXO 101           H5A      SXO 101  -1.242  -3.994   2.362
  640    H6   SXO 101           H6A      SXO 101   1.582  -3.296   3.165
  641    H6A  SXO 101           H6B      SXO 101   0.235  -2.152   3.094
  642    H7   SXO 101           H7A      SXO 101  -0.040  -2.639   0.697
  643    H7A  SXO 101           H7B      SXO 101   1.307  -3.785   0.780
  644    H8   SXO 101           H8C      SXO 101   2.026  -1.634  -0.113
  645    H8A  SXO 101           H8A      SXO 101   2.798  -1.965   1.437
  646    H8B  SXO 101           H8B      SXO 101   1.453  -0.831   1.349
  Start of MODEL    9
    1    H1   ALA   1           HT1      ALA   1  12.104   8.813  -5.002
    2    H2   ALA   1           HT2      ALA   1  13.552   8.250  -4.297
    3    H3   ALA   1           HT3      ALA   1  13.206   9.906  -4.338
    4    HA   ALA   1           HA       ALA   1  11.685   7.856  -2.859
    5    HB1  ALA   1           HB1      ALA   1  13.456  10.078  -1.859
    6    HB2  ALA   1           HB2      ALA   1  13.864   8.364  -1.867
    7    HB3  ALA   1           HB3      ALA   1  12.534   8.948  -0.867
    8    H    ALA   2           HN       ALA   2   9.870   8.587  -1.817
    9    HA   ALA   2           HA       ALA   2   9.082  11.381  -2.184
   10    HB1  ALA   2           HB1      ALA   2   7.314   8.988  -2.643
   11    HB2  ALA   2           HB2      ALA   2   7.960  10.042  -3.915
   12    HB3  ALA   2           HB3      ALA   2   6.840  10.685  -2.702
   13    H    THR   3           HN       THR   3   7.324  11.942  -0.625
   14    HA   THR   3           HA       THR   3   7.929  10.528   1.845
   15    HB   THR   3           HB       THR   3   8.075  13.000   1.950
   16    HG1  THR   3           HG1      THR   3   7.760  12.569   3.824
   17   HG21  THR   3          HG21      THR   3   5.977  14.343   1.983
   18   HG22  THR   3          HG22      THR   3   5.134  12.947   1.276
   19   HG23  THR   3          HG23      THR   3   6.443  13.722   0.414
   20    H    GLN   4           HN       GLN   4   6.054  10.653   3.491
   21    HA   GLN   4           HA       GLN   4   4.445   8.481   2.779
   22    HB2  GLN   4           HB2      GLN   4   4.050  10.468   5.025
   23    HB3  GLN   4           HB1      GLN   4   3.185   8.946   4.863
   24    HG2  GLN   4           HG2      GLN   4   5.360   7.766   4.983
   25    HG3  GLN   4           HG1      GLN   4   6.132   9.316   5.302
   26   HE21  GLN   4          HE21      GLN   4   3.943  10.295   7.020
   27   HE22  GLN   4          HE22      GLN   4   4.050   9.376   8.463
   28    H    GLU   5           HN       GLU   5   4.023  11.893   2.489
   29    HA   GLU   5           HA       GLU   5   1.187  11.757   2.111
   30    HB2  GLU   5           HB2      GLU   5   3.156  13.908   1.343
   31    HB3  GLU   5           HB1      GLU   5   1.434  14.034   1.036
   32    HG2  GLU   5           HG2      GLU   5   1.721  15.208   3.037
   33    HG3  GLU   5           HG1      GLU   5   1.159  13.585   3.477
   34    H    GLU   6           HN       GLU   6   3.903  11.734   0.009
   35    HA   GLU   6           HA       GLU   6   2.359  11.696  -2.415
   36    HB2  GLU   6           HB2      GLU   6   5.278  11.238  -1.890
   37    HB3  GLU   6           HB1      GLU   6   4.561  11.631  -3.459
   38    HG2  GLU   6           HG2      GLU   6   3.973  13.831  -2.659
   39    HG3  GLU   6           HG1      GLU   6   4.519  13.422  -1.036
   40    H    ILE   7           HN       ILE   7   3.817   9.510  -0.174
   41    HA   ILE   7           HA       ILE   7   3.988   7.366  -1.898
   42    HB   ILE   7           HB       ILE   7   4.015   7.357   1.136
   43   HG12  ILE   7          HG12      ILE   7   6.013   8.291   0.044
   44   HG13  ILE   7          HG11      ILE   7   6.392   6.778   0.853
   45   HG21  ILE   7          HG21      ILE   7   4.733   5.006   1.047
   46   HG22  ILE   7          HG22      ILE   7   4.408   4.985  -0.686
   47   HG23  ILE   7          HG23      ILE   7   3.084   5.222   0.457
   48   HD11  ILE   7          HD11      ILE   7   6.348   5.628  -1.325
   49   HD12  ILE   7          HD12      ILE   7   7.528   6.929  -1.293
   50   HD13  ILE   7          HD13      ILE   7   5.986   7.159  -2.115
   51    H    VAL   8           HN       VAL   8   1.704   8.239   0.749
   52    HA   VAL   8           HA       VAL   8  -0.237   6.261   0.546
   53    HB   VAL   8           HB       VAL   8  -0.526   9.210   1.264
   54   HG11  VAL   8          HG11      VAL   8  -2.717   8.660   2.201
   55   HG12  VAL   8          HG12      VAL   8  -2.577   7.019   1.573
   56   HG13  VAL   8          HG13      VAL   8  -2.685   8.384   0.460
   57   HG21  VAL   8          HG21      VAL   8  -0.740   8.356   3.545
   58   HG22  VAL   8          HG22      VAL   8   0.789   7.874   2.813
   59   HG23  VAL   8          HG23      VAL   8  -0.530   6.711   2.945
   60    H    ALA   9           HN       ALA   9   0.003   9.316  -1.200
   61    HA   ALA   9           HA       ALA   9  -2.285   9.226  -2.734
   62    HB1  ALA   9           HB1      ALA   9  -1.130  10.722  -4.268
   63    HB2  ALA   9           HB2      ALA   9   0.417  10.292  -3.533
   64    HB3  ALA   9           HB3      ALA   9  -0.794  11.162  -2.593
   65    H    GLY  10           HN       GLY  10   0.907   7.824  -3.433
   66    HA2  GLY  10           HA2      GLY  10   0.283   6.908  -6.046
   67    HA3  GLY  10           HA1      GLY  10   1.624   6.334  -5.056
   68    H    LEU  11           HN       LEU  11   0.245   5.407  -2.879
   69    HA   LEU  11           HA       LEU  11  -0.379   2.774  -3.549
   70    HB2  LEU  11           HB2      LEU  11  -1.147   4.403  -1.139
   71    HB3  LEU  11           HB1      LEU  11  -1.407   2.681  -1.263
   72    HG   LEU  11           HG       LEU  11   1.297   4.015  -1.351
   73   HD11  LEU  11          HD11      LEU  11   0.225   4.252   0.845
   74   HD12  LEU  11          HD12      LEU  11   1.575   3.119   0.909
   75   HD13  LEU  11          HD13      LEU  11  -0.081   2.516   0.883
   76   HD21  LEU  11          HD21      LEU  11   1.192   1.892  -2.552
   77   HD22  LEU  11          HD22      LEU  11   0.483   1.117  -1.135
   78   HD23  LEU  11          HD23      LEU  11   2.132   1.737  -1.070
   79    H    ALA  12           HN       ALA  12  -2.492   5.484  -2.822
   80    HA   ALA  12           HA       ALA  12  -4.854   3.954  -3.106
   81    HB1  ALA  12           HB1      ALA  12  -4.576   6.939  -3.113
   82    HB2  ALA  12           HB2      ALA  12  -4.766   5.905  -1.680
   83    HB3  ALA  12           HB3      ALA  12  -6.046   5.981  -2.895
   84    H    GLU  13           HN       GLU  13  -2.862   5.670  -5.382
   85    HA   GLU  13           HA       GLU  13  -4.825   5.958  -7.386
   86    HB2  GLU  13           HB2      GLU  13  -1.838   5.623  -7.655
   87    HB3  GLU  13           HB1      GLU  13  -2.901   5.982  -9.003
   88    HG2  GLU  13           HG2      GLU  13  -3.570   8.069  -7.908
   89    HG3  GLU  13           HG1      GLU  13  -2.463   7.711  -6.582
   90    H    ILE  14           HN       ILE  14  -2.723   3.274  -6.581
   91    HA   ILE  14           HA       ILE  14  -3.854   1.727  -8.713
   92    HB   ILE  14           HB       ILE  14  -2.195   0.720  -6.365
   93   HG12  ILE  14          HG12      ILE  14  -0.555   0.260  -8.410
   94   HG13  ILE  14          HG11      ILE  14  -1.448   1.585  -9.136
   95   HG21  ILE  14          HG21      ILE  14  -3.058  -0.713  -8.856
   96   HG22  ILE  14          HG22      ILE  14  -3.625  -1.014  -7.210
   97   HG23  ILE  14          HG23      ILE  14  -1.944  -1.356  -7.640
   98   HD11  ILE  14          HD11      ILE  14   0.166   1.662  -6.598
   99   HD12  ILE  14          HD12      ILE  14  -0.808   3.000  -7.208
  100   HD13  ILE  14          HD13      ILE  14   0.569   2.407  -8.141
  101    H    VAL  15           HN       VAL  15  -4.292   1.809  -5.166
  102    HA   VAL  15           HA       VAL  15  -6.175  -0.258  -5.173
  103    HB   VAL  15           HB       VAL  15  -5.981   1.934  -3.078
  104   HG11  VAL  15          HG11      VAL  15  -7.069   0.296  -1.569
  105   HG12  VAL  15          HG12      VAL  15  -7.252  -0.816  -2.928
  106   HG13  VAL  15          HG13      VAL  15  -8.111   0.722  -2.927
  107   HG21  VAL  15          HG21      VAL  15  -4.767  -0.824  -3.136
  108   HG22  VAL  15          HG22      VAL  15  -4.687   0.304  -1.791
  109   HG23  VAL  15          HG23      VAL  15  -3.893   0.697  -3.321
  110    H    ASN  16           HN       ASN  16  -6.596   3.081  -6.012
  111    HA   ASN  16           HA       ASN  16  -9.442   3.118  -5.847
  112    HB2  ASN  16           HB2      ASN  16  -8.131   5.210  -5.931
  113    HB3  ASN  16           HB1      ASN  16  -7.601   4.816  -7.560
  114   HD21  ASN  16          HD21      ASN  16 -10.226   5.955  -5.592
  115   HD22  ASN  16          HD22      ASN  16 -11.253   6.444  -6.891
  116    H    GLU  17           HN       GLU  17  -7.147   2.166  -8.313
  117    HA   GLU  17           HA       GLU  17  -9.125   1.788 -10.339
  118    HB2  GLU  17           HB2      GLU  17  -6.760   2.228 -10.885
  119    HB3  GLU  17           HB1      GLU  17  -6.291   0.736 -10.094
  120    HG2  GLU  17           HG2      GLU  17  -7.433  -0.562 -11.774
  121    HG3  GLU  17           HG1      GLU  17  -8.055   0.903 -12.531
  122    H    ILE  18           HN       ILE  18  -7.514  -0.161  -7.955
  123    HA   ILE  18           HA       ILE  18  -8.577  -2.675  -8.782
  124    HB   ILE  18           HB       ILE  18  -7.250  -1.777  -6.218
  125   HG12  ILE  18          HG12      ILE  18  -5.769  -1.621  -8.103
  126   HG13  ILE  18          HG11      ILE  18  -5.293  -3.008  -7.133
  127   HG21  ILE  18          HG21      ILE  18  -8.620  -3.739  -5.751
  128   HG22  ILE  18          HG22      ILE  18  -6.902  -4.096  -5.632
  129   HG23  ILE  18          HG23      ILE  18  -7.815  -4.617  -7.057
  130   HD11  ILE  18          HD11      ILE  18  -6.878  -3.105  -9.693
  131   HD12  ILE  18          HD12      ILE  18  -6.402  -4.497  -8.720
  132   HD13  ILE  18          HD13      ILE  18  -5.171  -3.506  -9.503
  133    H    ALA  19           HN       ALA  19  -9.355  -0.554  -5.987
  134    HA   ALA  19           HA       ALA  19 -11.787  -2.163  -5.585
  135    HB1  ALA  19           HB1      ALA  19 -10.161  -2.341  -3.783
  136    HB2  ALA  19           HB2      ALA  19 -11.671  -1.604  -3.241
  137    HB3  ALA  19           HB3      ALA  19 -10.251  -0.600  -3.534
  138    H    GLY  20           HN       GLY  20 -10.554   1.108  -5.767
  139    HA2  GLY  20           HA2      GLY  20 -11.887   2.848  -6.698
  140    HA3  GLY  20           HA1      GLY  20 -13.321   1.966  -6.219
  141    H    ILE  21           HN       ILE  21 -10.689   2.592  -3.997
  142    HA   ILE  21           HA       ILE  21 -12.508   4.153  -2.391
  143    HB   ILE  21           HB       ILE  21 -10.418   4.389  -0.862
  144   HG12  ILE  21          HG12      ILE  21  -8.961   2.314  -0.944
  145   HG13  ILE  21          HG11      ILE  21  -9.608   2.012  -2.546
  146   HG21  ILE  21          HG21      ILE  21 -11.972   1.848  -1.106
  147   HG22  ILE  21          HG22      ILE  21 -12.339   3.300  -0.152
  148   HG23  ILE  21          HG23      ILE  21 -10.962   2.293   0.276
  149   HD11  ILE  21          HD11      ILE  21  -8.637   4.118  -3.323
  150   HD12  ILE  21          HD12      ILE  21  -7.414   3.043  -2.644
  151   HD13  ILE  21          HD13      ILE  21  -8.000   4.416  -1.707
  152    HA   PRO  22           HA       PRO  22 -11.292   8.149  -3.694
  153    HB2  PRO  22           HB2      PRO  22 -11.844   9.039  -0.952
  154    HB3  PRO  22           HB1      PRO  22 -12.655   9.487  -2.451
  155    HG2  PRO  22           HG2      PRO  22 -13.788   7.912  -0.545
  156    HG3  PRO  22           HG1      PRO  22 -14.197   7.823  -2.266
  157    HD2  PRO  22           HD2      PRO  22 -12.551   5.969  -0.622
  158    HD3  PRO  22           HD1      PRO  22 -13.558   5.674  -2.045
  159    H    VAL  23           HN       VAL  23  -9.431   9.329  -3.558
  160    HA   VAL  23           HA       VAL  23  -7.376   8.291  -1.851
  161    HB   VAL  23           HB       VAL  23  -5.838   9.913  -2.895
  162   HG11  VAL  23          HG11      VAL  23  -5.968   9.067  -5.199
  163   HG12  VAL  23          HG12      VAL  23  -7.601   8.481  -4.871
  164   HG13  VAL  23          HG13      VAL  23  -6.230   7.794  -4.003
  165   HG21  VAL  23          HG21      VAL  23  -7.377  11.792  -3.164
  166   HG22  VAL  23          HG22      VAL  23  -8.278  10.893  -4.384
  167   HG23  VAL  23          HG23      VAL  23  -6.612  11.386  -4.700
  168    H    GLU  24           HN       GLU  24  -9.742  10.503  -1.430
  169    HA   GLU  24           HA       GLU  24  -8.420  12.167   0.517
  170    HB2  GLU  24           HB2      GLU  24 -11.408  11.801   0.287
  171    HB3  GLU  24           HB1      GLU  24 -10.530  13.184   0.901
  172    HG2  GLU  24           HG2      GLU  24 -11.273  13.971  -1.106
  173    HG3  GLU  24           HG1      GLU  24  -9.679  13.369  -1.558
  174    H    ASP  25           HN       ASP  25  -9.918   9.112   0.388
  175    HA   ASP  25           HA       ASP  25 -10.767   9.033   3.158
  176    HB2  ASP  25           HB2      ASP  25 -11.930   7.727   1.253
  177    HB3  ASP  25           HB1      ASP  25 -10.513   6.699   1.271
  178    H    VAL  26           HN       VAL  26  -8.209   7.912   1.139
  179    HA   VAL  26           HA       VAL  26  -7.046   6.148   3.035
  180    HB   VAL  26           HB       VAL  26  -5.793   7.270   0.516
  181   HG11  VAL  26          HG11      VAL  26  -4.174   6.233   2.022
  182   HG12  VAL  26          HG12      VAL  26  -4.411   5.239   0.585
  183   HG13  VAL  26          HG13      VAL  26  -5.169   4.782   2.112
  184   HG21  VAL  26          HG21      VAL  26  -7.921   6.198   0.026
  185   HG22  VAL  26          HG22      VAL  26  -7.415   4.762   0.917
  186   HG23  VAL  26          HG23      VAL  26  -6.579   5.221  -0.568
  187    H    LYS  27           HN       LYS  27  -6.812   7.387   4.781
  188    HA   LYS  27           HA       LYS  27  -4.565   9.262   4.834
  189    HB2  LYS  27           HB2      LYS  27  -6.823   8.765   6.800
  190    HB3  LYS  27           HB1      LYS  27  -5.495   9.891   7.080
  191    HG2  LYS  27           HG2      LYS  27  -6.173  11.264   5.250
  192    HG3  LYS  27           HG1      LYS  27  -7.365  10.076   4.732
  193    HD2  LYS  27           HD2      LYS  27  -8.642  10.463   6.765
  194    HD3  LYS  27           HD1      LYS  27  -7.423  11.615   7.324
  195    HE2  LYS  27           HE2      LYS  27  -7.882  13.079   5.470
  196    HE3  LYS  27           HE1      LYS  27  -8.984  11.899   4.760
  197    HZ1  LYS  27           HZ1      LYS  27  -9.399  13.198   7.396
  198    HZ2  LYS  27           HZ2      LYS  27 -10.478  12.182   6.558
  199    HZ3  LYS  27           HZ3      LYS  27 -10.141  13.710   5.968
  200    H    LEU  28           HN       LEU  28  -3.284   8.945   7.016
  201    HA   LEU  28           HA       LEU  28  -1.815   6.664   6.566
  202    HB2  LEU  28           HB2      LEU  28  -1.840   8.491   8.930
  203    HB3  LEU  28           HB1      LEU  28  -0.771   7.110   8.850
  204    HG   LEU  28           HG       LEU  28   0.422   9.098   8.237
  205   HD11  LEU  28          HD11      LEU  28  -0.086   7.375   5.829
  206   HD12  LEU  28          HD12      LEU  28   1.077   7.072   7.119
  207   HD13  LEU  28          HD13      LEU  28   1.287   8.460   6.050
  208   HD21  LEU  28          HD21      LEU  28  -1.620   9.460   6.047
  209   HD22  LEU  28          HD22      LEU  28  -0.155  10.418   6.256
  210   HD23  LEU  28          HD23      LEU  28  -1.430  10.478   7.474
  211    H    ASP  29           HN       ASP  29  -4.359   6.933   9.011
  212    HA   ASP  29           HA       ASP  29  -3.553   4.324   9.963
  213    HB2  ASP  29           HB2      ASP  29  -5.352   6.406  11.073
  214    HB3  ASP  29           HB1      ASP  29  -5.605   4.731  11.564
  215    H    LYS  30           HN       LYS  30  -4.989   4.856   7.323
  216    HA   LYS  30           HA       LYS  30  -7.306   3.189   7.761
  217    HB2  LYS  30           HB2      LYS  30  -6.143   4.081   5.122
  218    HB3  LYS  30           HB1      LYS  30  -7.692   3.298   5.356
  219    HG2  LYS  30           HG2      LYS  30  -6.866   6.098   5.952
  220    HG3  LYS  30           HG1      LYS  30  -8.264   5.506   5.060
  221    HD2  LYS  30           HD2      LYS  30  -9.034   4.557   7.320
  222    HD3  LYS  30           HD1      LYS  30  -7.821   5.631   8.020
  223    HE2  LYS  30           HE2      LYS  30  -9.827   6.857   8.059
  224    HE3  LYS  30           HE1      LYS  30  -8.874   7.450   6.686
  225    HZ1  LYS  30           HZ1      LYS  30 -11.076   5.468   6.472
  226    HZ2  LYS  30           HZ2      LYS  30 -10.280   6.152   5.160
  227    HZ3  LYS  30           HZ3      LYS  30 -11.254   7.102   6.157
  228    H    SER  31           HN       SER  31  -7.314   1.123   7.723
  229    HA   SER  31           HA       SER  31  -4.979  -0.370   6.804
  230    HB2  SER  31           HB2      SER  31  -5.550  -1.013   8.975
  231    HB3  SER  31           HB1      SER  31  -7.286  -0.964   8.645
  232    HG   SER  31           HG       SER  31  -5.931  -3.102   8.729
  233    H    PHE  32           HN       PHE  32  -5.137  -1.991   5.327
  234    HA   PHE  32           HA       PHE  32  -6.987  -1.537   3.139
  235    HB2  PHE  32           HB2      PHE  32  -4.901  -3.679   3.563
  236    HB3  PHE  32           HB1      PHE  32  -5.779  -3.400   2.070
  237    HD1  PHE  32           HD2      PHE  32  -5.266  -1.471   0.676
  238    HD2  PHE  32           HD1      PHE  32  -3.107  -2.240   4.259
  239    HE1  PHE  32           HE2      PHE  32  -3.499   0.068  -0.065
  240    HE2  PHE  32           HE1      PHE  32  -1.336  -0.702   3.527
  241    HZ   PHE  32           HZ       PHE  32  -1.529   0.452   1.359
  242    H    THR  33           HN       THR  33  -8.055  -2.613   5.719
  243    HA   THR  33           HA       THR  33 -10.104  -4.037   4.544
  244    HB   THR  33           HB       THR  33  -8.629  -5.919   4.434
  245    HG1  THR  33           HG1      THR  33  -9.793  -7.447   5.616
  246   HG21  THR  33          HG21      THR  33  -7.615  -6.995   6.411
  247   HG22  THR  33          HG22      THR  33  -8.231  -5.686   7.424
  248   HG23  THR  33          HG23      THR  33  -7.018  -5.348   6.190
  249    H    ASP  34           HN       ASP  34  -8.393  -3.599   7.654
  250    HA   ASP  34           HA       ASP  34 -10.653  -3.859   9.312
  251    HB2  ASP  34           HB2      ASP  34  -8.297  -3.864  10.117
  252    HB3  ASP  34           HB1      ASP  34  -8.200  -2.145   9.782
  253    H    ASP  35           HN       ASP  35  -9.276  -1.144   7.637
  254    HA   ASP  35           HA       ASP  35 -11.507   0.509   8.583
  255    HB2  ASP  35           HB2      ASP  35  -9.183   1.478   8.903
  256    HB3  ASP  35           HB1      ASP  35  -9.042   1.444   7.165
  257    H    LEU  36           HN       LEU  36  -9.591  -0.083   5.639
  258    HA   LEU  36           HA       LEU  36 -11.151   1.495   4.006
  259    HB2  LEU  36           HB2      LEU  36  -9.247  -0.716   3.308
  260    HB3  LEU  36           HB1      LEU  36 -10.041   0.296   2.119
  261    HG   LEU  36           HG       LEU  36  -8.114   1.243   4.237
  262   HD11  LEU  36          HD11      LEU  36  -7.842   1.032   1.243
  263   HD12  LEU  36          HD12      LEU  36  -7.033   0.010   2.428
  264   HD13  LEU  36          HD13      LEU  36  -6.653   1.732   2.341
  265   HD21  LEU  36          HD21      LEU  36  -8.287   3.410   3.112
  266   HD22  LEU  36          HD22      LEU  36  -9.837   2.878   3.778
  267   HD23  LEU  36          HD23      LEU  36  -9.532   2.741   2.047
  268    H    ASP  37           HN       ASP  37 -12.407   1.093   2.392
  269    HA   ASP  37           HA       ASP  37 -14.408  -0.955   2.918
  270    HB2  ASP  37           HB2      ASP  37 -15.264   1.337   2.761
  271    HB3  ASP  37           HB1      ASP  37 -14.525   1.535   1.180
  272    H    VAL  38           HN       VAL  38 -12.670  -2.287   2.185
  273    HA   VAL  38           HA       VAL  38 -12.903  -2.858  -0.651
  274    HB   VAL  38           HB       VAL  38 -10.602  -3.735  -0.469
  275   HG11  VAL  38          HG11      VAL  38  -9.433  -1.554  -0.475
  276   HG12  VAL  38          HG12      VAL  38 -10.861  -0.808   0.250
  277   HG13  VAL  38          HG13      VAL  38 -10.945  -1.477  -1.379
  278   HG21  VAL  38          HG21      VAL  38 -10.607  -2.391   2.212
  279   HG22  VAL  38          HG22      VAL  38  -9.183  -3.058   1.408
  280   HG23  VAL  38          HG23      VAL  38 -10.499  -4.124   1.900
  281    H    ASP  39           HN       ASP  39 -11.830  -5.257  -0.757
  282    HA   ASP  39           HA       ASP  39 -13.109  -6.930   1.327
  283    HB2  ASP  39           HB2      ASP  39 -12.741  -7.359  -1.620
  284    HB3  ASP  39           HB1      ASP  39 -12.995  -8.730  -0.546
  285    H    SER  40           HN       SER  40 -10.552  -5.722   1.193
  286    HA   SER  40           HA       SER  40  -8.432  -5.945   1.692
  287    HB2  SER  40           HB2      SER  40  -7.642  -7.804   3.069
  288    HB3  SER  40           HB1      SER  40  -9.192  -7.165   3.611
  289    H    LEU  41           HN       LEU  41  -9.052  -9.185   0.521
  290    HA   LEU  41           HA       LEU  41  -6.597  -9.856  -0.411
  291    HB2  LEU  41           HB2      LEU  41  -9.279 -10.673  -1.444
  292    HB3  LEU  41           HB1      LEU  41  -7.836 -11.241  -2.243
  293    HG   LEU  41           HG       LEU  41  -7.134 -12.336  -0.122
  294   HD11  LEU  41          HD11      LEU  41  -8.297 -10.918   1.467
  295   HD12  LEU  41          HD12      LEU  41  -8.733 -12.614   1.672
  296   HD13  LEU  41          HD13      LEU  41  -9.847 -11.510   0.867
  297   HD21  LEU  41          HD21      LEU  41  -8.313 -13.580  -1.827
  298   HD22  LEU  41          HD22      LEU  41  -9.862 -13.087  -1.138
  299   HD23  LEU  41          HD23      LEU  41  -8.778 -14.132  -0.217
  300    H    SER  42           HN       SER  42  -8.753  -7.680  -1.960
  301    HA   SER  42           HA       SER  42  -7.866  -7.627  -4.587
  302    HB2  SER  42           HB2      SER  42  -8.819  -5.352  -2.861
  303    HB3  SER  42           HB1      SER  42  -8.935  -5.447  -4.631
  304    HG   SER  42           HG       SER  42 -10.558  -6.831  -4.470
  305    H    MET  43           HN       MET  43  -6.408  -6.368  -1.652
  306    HA   MET  43           HA       MET  43  -4.692  -4.396  -2.682
  307    HB2  MET  43           HB2      MET  43  -5.366  -4.767  -0.284
  308    HB3  MET  43           HB1      MET  43  -4.321  -6.164  -0.246
  309    HG2  MET  43           HG2      MET  43  -3.408  -3.352  -0.752
  310    HG3  MET  43           HG1      MET  43  -3.446  -4.084   0.845
  311    HE1  MET  43           HE1      MET  43  -2.338  -7.152  -0.209
  312    HE2  MET  43           HE2      MET  43  -1.972  -6.398   1.330
  313    HE3  MET  43           HE3      MET  43  -0.659  -6.938   0.284
  314    H    VAL  44           HN       VAL  44  -4.540  -7.795  -2.815
  315    HA   VAL  44           HA       VAL  44  -1.764  -8.223  -2.998
  316    HB   VAL  44           HB       VAL  44  -3.932  -9.824  -4.419
  317   HG11  VAL  44          HG11      VAL  44  -1.099 -10.624  -3.747
  318   HG12  VAL  44          HG12      VAL  44  -1.726 -10.294  -5.362
  319   HG13  VAL  44          HG13      VAL  44  -2.332 -11.675  -4.445
  320   HG21  VAL  44          HG21      VAL  44  -2.639 -10.221  -1.723
  321   HG22  VAL  44          HG22      VAL  44  -3.769 -11.340  -2.500
  322   HG23  VAL  44          HG23      VAL  44  -4.300  -9.723  -2.047
  323    H    GLU  45           HN       GLU  45  -3.962  -6.917  -5.336
  324    HA   GLU  45           HA       GLU  45  -2.069  -7.049  -7.483
  325    HB2  GLU  45           HB2      GLU  45  -4.697  -5.610  -7.230
  326    HB3  GLU  45           HB1      GLU  45  -3.698  -5.574  -8.675
  327    HG2  GLU  45           HG2      GLU  45  -3.878  -8.030  -8.801
  328    HG3  GLU  45           HG1      GLU  45  -4.984  -7.986  -7.430
  329    H    VAL  46           HN       VAL  46  -2.806  -4.757  -4.952
  330    HA   VAL  46           HA       VAL  46  -1.454  -2.637  -6.370
  331    HB   VAL  46           HB       VAL  46  -3.374  -1.990  -4.879
  332   HG11  VAL  46          HG11      VAL  46  -3.113  -1.886  -2.493
  333   HG12  VAL  46          HG12      VAL  46  -1.547  -2.686  -2.627
  334   HG13  VAL  46          HG13      VAL  46  -3.014  -3.550  -3.077
  335   HG21  VAL  46          HG21      VAL  46  -1.717  -0.310  -5.460
  336   HG22  VAL  46          HG22      VAL  46  -0.732  -0.789  -4.076
  337   HG23  VAL  46          HG23      VAL  46  -2.317  -0.057  -3.819
  338    H    VAL  47           HN       VAL  47  -0.747  -4.896  -3.799
  339    HA   VAL  47           HA       VAL  47   1.649  -3.656  -3.042
  340    HB   VAL  47           HB       VAL  47   0.640  -5.400  -1.628
  341   HG11  VAL  47          HG11      VAL  47   0.905  -7.780  -2.107
  342   HG12  VAL  47          HG12      VAL  47   1.541  -7.378  -3.704
  343   HG13  VAL  47          HG13      VAL  47  -0.124  -6.973  -3.289
  344   HG21  VAL  47          HG21      VAL  47   3.449  -6.055  -2.483
  345   HG22  VAL  47          HG22      VAL  47   2.690  -6.582  -0.981
  346   HG23  VAL  47          HG23      VAL  47   2.964  -4.865  -1.274
  347    H    VAL  48           HN       VAL  48   1.049  -6.047  -5.568
  348    HA   VAL  48           HA       VAL  48   3.806  -6.213  -6.258
  349    HB   VAL  48           HB       VAL  48   2.136  -8.032  -6.727
  350   HG11  VAL  48          HG11      VAL  48   0.286  -6.766  -7.546
  351   HG12  VAL  48          HG12      VAL  48   0.779  -7.956  -8.752
  352   HG13  VAL  48          HG13      VAL  48   1.210  -6.258  -8.960
  353   HG21  VAL  48          HG21      VAL  48   4.313  -8.108  -7.784
  354   HG22  VAL  48          HG22      VAL  48   3.738  -7.087  -9.103
  355   HG23  VAL  48          HG23      VAL  48   3.086  -8.712  -8.898
  356    H    ALA  49           HN       ALA  49   1.299  -4.034  -6.975
  357    HA   ALA  49           HA       ALA  49   2.574  -2.938  -9.333
  358    HB1  ALA  49           HB1      ALA  49   0.131  -2.968  -9.186
  359    HB2  ALA  49           HB2      ALA  49   0.747  -1.320  -9.320
  360    HB3  ALA  49           HB3      ALA  49   0.205  -1.936  -7.758
  361    H    ALA  50           HN       ALA  50   2.553  -2.468  -5.939
  362    HA   ALA  50           HA       ALA  50   3.413   0.208  -5.948
  363    HB1  ALA  50           HB1      ALA  50   2.353  -0.810  -3.990
  364    HB2  ALA  50           HB2      ALA  50   3.953  -0.182  -3.572
  365    HB3  ALA  50           HB3      ALA  50   3.721  -1.914  -3.830
  366    H    GLU  51           HN       GLU  51   4.940  -2.874  -6.057
  367    HA   GLU  51           HA       GLU  51   7.590  -2.487  -5.489
  368    HB2  GLU  51           HB2      GLU  51   6.423  -4.073  -7.779
  369    HB3  GLU  51           HB1      GLU  51   7.985  -4.349  -7.013
  370    HG2  GLU  51           HG2      GLU  51   5.389  -4.522  -5.495
  371    HG3  GLU  51           HG1      GLU  51   6.135  -5.921  -6.230
  372    H    GLU  52           HN       GLU  52   6.071  -2.202  -8.617
  373    HA   GLU  52           HA       GLU  52   8.339  -1.100  -9.967
  374    HB2  GLU  52           HB2      GLU  52   6.697  -0.814 -11.837
  375    HB3  GLU  52           HB1      GLU  52   6.816  -2.455 -11.207
  376    HG2  GLU  52           HG2      GLU  52   4.787  -2.206  -9.975
  377    HG3  GLU  52           HG1      GLU  52   4.682  -0.496 -10.370
  378    H    ARG  53           HN       ARG  53   5.617   0.201  -8.288
  379    HA   ARG  53           HA       ARG  53   5.666   2.678  -9.706
  380    HB2  ARG  53           HB2      ARG  53   3.582   1.574  -8.942
  381    HB3  ARG  53           HB1      ARG  53   4.041   1.931  -7.291
  382    HG2  ARG  53           HG2      ARG  53   2.390   3.505  -8.042
  383    HG3  ARG  53           HG1      ARG  53   3.925   4.340  -7.812
  384    HD2  ARG  53           HD2      ARG  53   3.013   3.317 -10.498
  385    HD3  ARG  53           HD1      ARG  53   2.595   4.920  -9.906
  386    HE   ARG  53           HE       ARG  53   5.072   5.274  -9.758
  387   HH11  ARG  53          HH11      ARG  53   3.800   2.873 -12.069
  388   HH12  ARG  53          HH12      ARG  53   4.983   3.169 -13.241
  389   HH21  ARG  53          HH21      ARG  53   6.715   5.644 -11.335
  390   HH22  ARG  53          HH22      ARG  53   6.666   4.819 -12.847
  391    H    PHE  54           HN       PHE  54   6.646   1.505  -6.514
  392    HA   PHE  54           HA       PHE  54   7.394   4.230  -5.796
  393    HB2  PHE  54           HB2      PHE  54   6.882   1.823  -4.078
  394    HB3  PHE  54           HB1      PHE  54   7.479   3.361  -3.463
  395    HD1  PHE  54           HD2      PHE  54   6.073   5.397  -3.777
  396    HD2  PHE  54           HD1      PHE  54   4.641   1.471  -4.488
  397    HE1  PHE  54           HE2      PHE  54   3.771   6.212  -3.608
  398    HE2  PHE  54           HE1      PHE  54   2.335   2.276  -4.322
  399    HZ   PHE  54           HZ       PHE  54   1.909   4.672  -3.909
  400    H    ASP  55           HN       ASP  55   8.865   1.740  -7.202
  401    HA   ASP  55           HA       ASP  55  11.011   1.032  -7.499
  402    HB2  ASP  55           HB2      ASP  55  11.655   3.391  -5.721
  403    HB3  ASP  55           HB1      ASP  55  12.905   2.388  -6.463
  404    H    VAL  56           HN       VAL  56   9.455  -0.231  -5.595
  405    HA   VAL  56           HA       VAL  56  11.469  -0.931  -3.600
  406    HB   VAL  56           HB       VAL  56   9.608  -1.695  -2.068
  407   HG11  VAL  56          HG11      VAL  56   9.002   0.502  -1.294
  408   HG12  VAL  56          HG12      VAL  56   9.552   1.207  -2.818
  409   HG13  VAL  56          HG13      VAL  56  10.710   0.435  -1.728
  410   HG21  VAL  56          HG21      VAL  56   7.843  -1.951  -3.746
  411   HG22  VAL  56          HG22      VAL  56   7.859  -0.212  -4.032
  412   HG23  VAL  56          HG23      VAL  56   7.349  -0.843  -2.467
  413    H    LYS  57           HN       LYS  57  10.391  -3.211  -2.557
  414    HA   LYS  57           HA       LYS  57   9.616  -5.121  -4.399
  415    HB2  LYS  57           HB2      LYS  57  11.970  -4.912  -5.166
  416    HB3  LYS  57           HB1      LYS  57  12.521  -5.182  -3.521
  417    HG2  LYS  57           HG2      LYS  57  11.749  -7.439  -3.560
  418    HG3  LYS  57           HG1      LYS  57  10.943  -7.189  -5.113
  419    HD2  LYS  57           HD2      LYS  57  13.058  -6.808  -6.195
  420    HD3  LYS  57           HD1      LYS  57  13.901  -6.915  -4.650
  421    HE2  LYS  57           HE2      LYS  57  13.276  -9.239  -4.434
  422    HE3  LYS  57           HE1      LYS  57  12.324  -9.142  -5.918
  423    HZ1  LYS  57           HZ1      LYS  57  14.194  -8.976  -7.210
  424    HZ2  LYS  57           HZ2      LYS  57  14.735 -10.075  -6.009
  425    HZ3  LYS  57           HZ3      LYS  57  15.173  -8.446  -5.955
  426    H    ILE  58           HN       ILE  58   8.257  -5.866  -3.069
  427    HA   ILE  58           HA       ILE  58   8.921  -6.150  -0.209
  428    HB   ILE  58           HB       ILE  58   6.199  -6.024  -1.532
  429   HG12  ILE  58          HG12      ILE  58   7.533  -3.785  -0.015
  430   HG13  ILE  58          HG11      ILE  58   7.660  -3.937  -1.766
  431   HG21  ILE  58          HG21      ILE  58   7.066  -5.714   1.347
  432   HG22  ILE  58          HG22      ILE  58   6.234  -7.111   0.657
  433   HG23  ILE  58          HG23      ILE  58   5.417  -5.549   0.738
  434   HD11  ILE  58          HD11      ILE  58   5.096  -3.670  -0.220
  435   HD12  ILE  58          HD12      ILE  58   5.277  -3.786  -1.977
  436   HD13  ILE  58          HD13      ILE  58   5.913  -2.382  -1.118
  437    HA   PRO  59           HA       PRO  59   8.703 -10.584  -1.110
  438    HB2  PRO  59           HB2      PRO  59   8.863 -10.714   1.842
  439    HB3  PRO  59           HB1      PRO  59   9.912 -11.461   0.636
  440    HG2  PRO  59           HG2      PRO  59  10.746  -9.390   2.105
  441    HG3  PRO  59           HG1      PRO  59  11.222  -9.575   0.408
  442    HD2  PRO  59           HD2      PRO  59   9.158  -7.788   1.616
  443    HD3  PRO  59           HD1      PRO  59  10.313  -7.460   0.307
  444    H    ASP  60           HN       ASP  60   6.918 -11.697  -1.295
  445    HA   ASP  60           HA       ASP  60   4.425 -10.704  -0.763
  446    HB2  ASP  60           HB2      ASP  60   5.238 -13.515  -1.411
  447    HB3  ASP  60           HB1      ASP  60   3.551 -13.042  -1.239
  448    H    ASP  61           HN       ASP  61   6.099 -12.990   1.350
  449    HA   ASP  61           HA       ASP  61   3.719 -13.000   2.970
  450    HB2  ASP  61           HB2      ASP  61   6.251 -14.563   3.217
  451    HB3  ASP  61           HB1      ASP  61   5.215 -14.373   4.629
  452    H    ASP  62           HN       ASP  62   6.606 -11.288   2.882
  453    HA   ASP  62           HA       ASP  62   6.586 -10.341   5.576
  454    HB2  ASP  62           HB2      ASP  62   8.584 -10.271   3.947
  455    HB3  ASP  62           HB1      ASP  62   7.779  -8.884   3.214
  456    H    VAL  63           HN       VAL  63   5.003  -9.479   2.662
  457    HA   VAL  63           HA       VAL  63   3.960  -6.925   3.087
  458    HB   VAL  63           HB       VAL  63   2.444  -9.293   1.938
  459   HG11  VAL  63          HG11      VAL  63   0.991  -7.420   2.395
  460   HG12  VAL  63          HG12      VAL  63   1.195  -7.622   0.655
  461   HG13  VAL  63          HG13      VAL  63   2.061  -6.340   1.502
  462   HG21  VAL  63          HG21      VAL  63   3.228  -8.549  -0.257
  463   HG22  VAL  63          HG22      VAL  63   4.569  -9.026   0.787
  464   HG23  VAL  63          HG23      VAL  63   4.218  -7.316   0.521
  465    H    LYS  64           HN       LYS  64   2.839 -10.058   4.218
  466    HA   LYS  64           HA       LYS  64   0.340  -9.273   5.248
  467    HB2  LYS  64           HB2      LYS  64   1.997 -11.687   5.957
  468    HB3  LYS  64           HB1      LYS  64   0.291 -11.467   6.316
  469    HG2  LYS  64           HG2      LYS  64  -0.178 -11.375   3.900
  470    HG3  LYS  64           HG1      LYS  64   1.536 -11.681   3.583
  471    HD2  LYS  64           HD2      LYS  64   1.363 -13.798   4.817
  472    HD3  LYS  64           HD1      LYS  64  -0.350 -13.492   5.090
  473    HE2  LYS  64           HE2      LYS  64  -0.108 -15.025   3.253
  474    HE3  LYS  64           HE1      LYS  64  -0.688 -13.479   2.635
  475    HZ1  LYS  64           HZ1      LYS  64   1.572 -12.968   1.915
  476    HZ2  LYS  64           HZ2      LYS  64   1.032 -14.400   1.239
  477    HZ3  LYS  64           HZ3      LYS  64   2.111 -14.463   2.545
  478    H    ASN  65           HN       ASN  65   3.381  -8.640   6.510
  479    HA   ASN  65           HA       ASN  65   2.580  -8.725   9.287
  480    HB2  ASN  65           HB2      ASN  65   4.949  -9.128   8.631
  481    HB3  ASN  65           HB1      ASN  65   5.048  -7.475   8.040
  482   HD21  ASN  65          HD21      ASN  65   6.637  -6.856   9.463
  483   HD22  ASN  65          HD22      ASN  65   6.372  -6.690  11.166
  484    H    LEU  66           HN       LEU  66   2.334  -6.548   6.650
  485    HA   LEU  66           HA       LEU  66   2.209  -4.172   8.300
  486    HB2  LEU  66           HB2      LEU  66   1.583  -4.514   5.364
  487    HB3  LEU  66           HB1      LEU  66   1.819  -3.001   6.210
  488    HG   LEU  66           HG       LEU  66   3.933  -5.077   5.637
  489   HD11  LEU  66          HD11      LEU  66   3.274  -3.816   3.691
  490   HD12  LEU  66          HD12      LEU  66   4.891  -3.330   4.214
  491   HD13  LEU  66          HD13      LEU  66   3.496  -2.307   4.574
  492   HD21  LEU  66          HD21      LEU  66   5.527  -3.526   6.599
  493   HD22  LEU  66          HD22      LEU  66   4.308  -3.942   7.808
  494   HD23  LEU  66          HD23      LEU  66   4.240  -2.387   6.972
  495    H    LYS  67           HN       LYS  67   0.118  -2.726   7.619
  496    HA   LYS  67           HA       LYS  67  -2.254  -4.278   7.376
  497    HB2  LYS  67           HB2      LYS  67  -3.145  -3.664   9.656
  498    HB3  LYS  67           HB1      LYS  67  -1.879  -4.885   9.630
  499    HG2  LYS  67           HG2      LYS  67  -0.255  -3.050  10.152
  500    HG3  LYS  67           HG1      LYS  67  -1.643  -2.000  10.416
  501    HD2  LYS  67           HD2      LYS  67  -2.470  -3.599  12.112
  502    HD3  LYS  67           HD1      LYS  67  -0.984  -4.532  11.906
  503    HE2  LYS  67           HE2      LYS  67  -1.195  -1.672  12.827
  504    HE3  LYS  67           HE1      LYS  67  -0.836  -3.064  13.842
  505    HZ1  LYS  67           HZ1      LYS  67   1.158  -1.964  13.375
  506    HZ2  LYS  67           HZ2      LYS  67   0.899  -1.888  11.712
  507    HZ3  LYS  67           HZ3      LYS  67   1.219  -3.371  12.449
  508    H    THR  68           HN       THR  68  -1.167  -1.074   8.649
  509    HA   THR  68           HA       THR  68  -3.448   0.011   7.206
  510    HB   THR  68           HB       THR  68  -3.024   2.117   8.392
  511    HG1  THR  68           HG1      THR  68  -0.801   0.700   9.548
  512   HG21  THR  68          HG21      THR  68  -3.053  -0.288  10.206
  513   HG22  THR  68          HG22      THR  68  -4.456   0.491   9.475
  514   HG23  THR  68          HG23      THR  68  -3.502   1.348  10.693
  515    H    VAL  69           HN       VAL  69  -2.914   2.237   6.185
  516    HA   VAL  69           HA       VAL  69  -0.782   1.763   4.372
  517    HB   VAL  69           HB       VAL  69  -1.334   3.919   3.292
  518   HG11  VAL  69          HG11      VAL  69  -2.585   1.942   2.660
  519   HG12  VAL  69          HG12      VAL  69  -3.609   3.378   2.579
  520   HG13  VAL  69          HG13      VAL  69  -3.759   2.259   3.935
  521   HG21  VAL  69          HG21      VAL  69  -1.937   5.205   5.278
  522   HG22  VAL  69          HG22      VAL  69  -3.382   4.216   5.483
  523   HG23  VAL  69          HG23      VAL  69  -3.229   5.258   4.082
  524    H    GLY  70           HN       GLY  70  -0.987   3.134   7.405
  525    HA2  GLY  70           HA2      GLY  70   1.275   4.857   7.261
  526    HA3  GLY  70           HA1      GLY  70   0.524   4.228   8.728
  527    H    ASP  71           HN       ASP  71   0.733   1.460   7.801
  528    HA   ASP  71           HA       ASP  71   3.454   0.892   8.590
  529    HB2  ASP  71           HB2      ASP  71   1.368  -0.994   7.433
  530    HB3  ASP  71           HB1      ASP  71   2.887  -1.473   8.160
  531    H    ALA  72           HN       ALA  72   1.525   0.930   5.720
  532    HA   ALA  72           HA       ALA  72   3.303  -0.364   3.964
  533    HB1  ALA  72           HB1      ALA  72   0.910  -0.115   3.492
  534    HB2  ALA  72           HB2      ALA  72   1.897   0.521   2.178
  535    HB3  ALA  72           HB3      ALA  72   1.127   1.626   3.319
  536    H    THR  73           HN       THR  73   2.589   3.084   4.423
  537    HA   THR  73           HA       THR  73   4.376   4.160   2.654
  538    HB   THR  73           HB       THR  73   4.378   6.104   4.355
  539    HG1  THR  73           HG1      THR  73   2.171   4.794   5.451
  540   HG21  THR  73          HG21      THR  73   2.095   6.723   3.730
  541   HG22  THR  73          HG22      THR  73   1.784   5.055   3.243
  542   HG23  THR  73          HG23      THR  73   2.967   6.025   2.364
  543    H    LYS  74           HN       LYS  74   4.816   3.642   6.112
  544    HA   LYS  74           HA       LYS  74   7.433   4.476   6.415
  545    HB2  LYS  74           HB2      LYS  74   5.736   3.882   8.199
  546    HB3  LYS  74           HB1      LYS  74   6.154   2.201   7.924
  547    HG2  LYS  74           HG2      LYS  74   7.327   3.015   9.856
  548    HG3  LYS  74           HG1      LYS  74   8.484   2.713   8.561
  549    HD2  LYS  74           HD2      LYS  74   8.988   4.823   9.697
  550    HD3  LYS  74           HD1      LYS  74   8.508   5.109   8.024
  551    HE2  LYS  74           HE2      LYS  74   6.248   5.683   8.779
  552    HE3  LYS  74           HE1      LYS  74   6.734   5.404  10.451
  553    HZ1  LYS  74           HZ1      LYS  74   6.757   7.768   9.817
  554    HZ2  LYS  74           HZ2      LYS  74   7.954   7.463   8.667
  555    HZ3  LYS  74           HZ3      LYS  74   8.272   7.237  10.299
  556    H    TYR  75           HN       TYR  75   6.210   1.239   5.588
  557    HA   TYR  75           HA       TYR  75   8.698  -0.086   5.512
  558    HB2  TYR  75           HB2      TYR  75   6.473  -1.215   5.622
  559    HB3  TYR  75           HB1      TYR  75   6.162  -0.708   3.969
  560    HD1  TYR  75           HD2      TYR  75   7.539  -1.673   2.118
  561    HD2  TYR  75           HD1      TYR  75   7.776  -3.154   6.097
  562    HE1  TYR  75           HE2      TYR  75   8.605  -3.755   1.299
  563    HE2  TYR  75           HE1      TYR  75   8.809  -5.215   5.275
  564    HH   TYR  75           HH       TYR  75   9.834  -5.467   1.970
  565    H    ILE  76           HN       ILE  76   6.749   1.432   2.988
  566    HA   ILE  76           HA       ILE  76   8.361   0.846   0.774
  567    HB   ILE  76           HB       ILE  76   6.457   3.147   1.245
  568   HG12  ILE  76          HG12      ILE  76   6.204   0.625  -0.390
  569   HG13  ILE  76          HG11      ILE  76   5.522   0.865   1.218
  570   HG21  ILE  76          HG21      ILE  76   7.783   2.324  -1.346
  571   HG22  ILE  76          HG22      ILE  76   8.085   3.818  -0.457
  572   HG23  ILE  76          HG23      ILE  76   6.502   3.526  -1.180
  573   HD11  ILE  76          HD11      ILE  76   3.848   1.184  -0.495
  574   HD12  ILE  76          HD12      ILE  76   4.860   2.446  -1.227
  575   HD13  ILE  76          HD13      ILE  76   4.193   2.676   0.393
  576    H    LEU  77           HN       LEU  77   8.196   3.917   2.593
  577    HA   LEU  77           HA       LEU  77  10.288   5.071   1.164
  578    HB2  LEU  77           HB2      LEU  77  10.403   6.790   2.967
  579    HB3  LEU  77           HB1      LEU  77   8.837   6.561   2.240
  580    HG   LEU  77           HG       LEU  77   8.235   5.197   4.298
  581   HD11  LEU  77          HD11      LEU  77  10.704   6.525   5.387
  582   HD12  LEU  77          HD12      LEU  77  10.468   4.790   5.155
  583   HD13  LEU  77          HD13      LEU  77   9.486   5.665   6.330
  584   HD21  LEU  77          HD21      LEU  77   7.405   7.409   3.874
  585   HD22  LEU  77          HD22      LEU  77   8.867   8.116   4.557
  586   HD23  LEU  77          HD23      LEU  77   7.759   7.208   5.590
  587    H    ASP  78           HN       ASP  78  10.381   2.855   3.614
  588    HA   ASP  78           HA       ASP  78  13.055   3.300   4.567
  589    HB2  ASP  78           HB2      ASP  78  11.538   2.087   5.967
  590    HB3  ASP  78           HB1      ASP  78  11.212   0.915   4.700
  591    H    HIS  79           HN       HIS  79  11.625   1.431   1.998
  592    HA   HIS  79           HA       HIS  79  14.228   0.225   1.346
  593    HB2  HIS  79           HB2      HIS  79  12.311  -1.305   1.685
  594    HB3  HIS  79           HB1      HIS  79  11.457  -0.515   0.374
  595    HD1  HIS  79           HD1      HIS  79  13.898  -3.180   1.094
  596    HD2  HIS  79           HD2      HIS  79  12.538  -1.106  -2.239
  597    HE1  HIS  79           HE1      HIS  79  14.650  -4.512  -0.900
  598    HE2  HIS  79           HE2      HIS  79  13.948  -3.138  -2.900
  599    H    GLN  80           HN       GLN  80  12.105   2.681   0.272
  600    HA   GLN  80           HA       GLN  80  12.562   2.464  -2.530
  601    HB2  GLN  80           HB2      GLN  80  11.385   4.506  -2.777
  602    HB3  GLN  80           HB1      GLN  80  10.619   3.691  -1.421
  603    HG2  GLN  80           HG2      GLN  80  11.881   5.099   0.128
  604    HG3  GLN  80           HG1      GLN  80  12.646   5.911  -1.230
  605   HE21  GLN  80          HE21      GLN  80  11.205   7.183   0.757
  606   HE22  GLN  80          HE22      GLN  80   9.779   7.884   0.101
  607    H    ALA  81           HN       ALA  81  13.709   3.992  -3.855
  608    HA   ALA  81           HA       ALA  81  15.798   5.505  -2.556
  609    HB1  ALA  81           HB1      ALA  81  16.836   3.356  -3.152
  610    HB2  ALA  81           HB2      ALA  81  17.466   4.656  -4.161
  611    HB3  ALA  81           HB3      ALA  81  16.269   3.537  -4.813
  612    H28  SXO 101          H28B      SXO 101  -6.924 -10.076   4.685
  613   H28A  SXO 101          H28A      SXO 101  -6.938 -10.899   3.114
  614    H30  SXO 101          H30A      SXO 101  -6.513 -11.085   6.541
  615   H30A  SXO 101          H30C      SXO 101  -8.047 -11.935   6.368
  616   H30B  SXO 101          H30B      SXO 101  -6.575 -12.843   6.826
  617    H31  SXO 101          H31A      SXO 101  -6.861 -14.314   4.750
  618   H31A  SXO 101          H31B      SXO 101  -7.110 -13.491   3.203
  619   H31B  SXO 101          H31C      SXO 101  -8.351 -13.406   4.456
  620    H32  SXO 101          H32A      SXO 101  -4.642 -11.421   5.201
  621   HO33  SXO 101          H33A      SXO 101  -4.268 -13.934   4.538
  622   HN36  SXO 101          H36A      SXO 101  -4.641 -10.415   3.223
  623    H37  SXO 101          H37A      SXO 101  -3.193 -11.823   1.158
  624   H37A  SXO 101          H37B      SXO 101  -4.725 -11.101   0.645
  625    H38  SXO 101          H38B      SXO 101  -2.793  -9.626   0.235
  626   H38A  SXO 101          H38A      SXO 101  -2.436  -9.630   1.960
  627   HN41  SXO 101          H41A      SXO 101  -3.672  -8.476   3.361
  628    H42  SXO 101          H42A      SXO 101  -5.022  -6.139   2.420
  629   H42A  SXO 101          H42B      SXO 101  -6.095  -7.344   3.058
  630    H43  SXO 101          H43B      SXO 101  -5.763  -6.086   4.852
  631   H43A  SXO 101          H43A      SXO 101  -4.681  -7.425   5.174
  632    H2   SXO 101           H2A      SXO 101  -0.030  -6.227   4.124
  633    H2A  SXO 101           H2B      SXO 101  -0.689  -5.011   5.227
  634    H3   SXO 101           H3B      SXO 101  -1.270  -5.043   2.283
  635    H3A  SXO 101           H3A      SXO 101  -1.594  -3.762   3.444
  636    H4   SXO 101           H4A      SXO 101   1.150  -4.743   2.697
  637    H4A  SXO 101           H4B      SXO 101   0.762  -3.361   3.730
  638    H5   SXO 101           H5B      SXO 101  -0.053  -3.631   0.849
  639    H5A  SXO 101           H5A      SXO 101  -0.281  -2.222   1.883
  640    H6   SXO 101           H6A      SXO 101   2.374  -3.387   1.064
  641    H6A  SXO 101           H6B      SXO 101   2.119  -1.933   2.044
  642    H7   SXO 101           H7A      SXO 101   0.993  -0.849   0.180
  643    H7A  SXO 101           H7B      SXO 101   1.184  -2.318  -0.797
  644    H8   SXO 101           H8C      SXO 101   3.606  -2.104  -0.602
  645    H8A  SXO 101           H8A      SXO 101   3.402  -0.652   0.374
  646    H8B  SXO 101           H8B      SXO 101   2.896  -0.655  -1.315
  Start of MODEL   10
    1    H1   ALA   1           HT1      ALA   1  14.430   9.562  -4.281
    2    H2   ALA   1           HT2      ALA   1  13.558  10.980  -4.648
    3    H3   ALA   1           HT3      ALA   1  12.879   9.456  -4.940
    4    HA   ALA   1           HA       ALA   1  12.734   8.967  -2.674
    5    HB1  ALA   1           HB1      ALA   1  13.967  11.686  -2.228
    6    HB2  ALA   1           HB2      ALA   1  14.759  10.135  -1.944
    7    HB3  ALA   1           HB3      ALA   1  13.357  10.600  -0.978
    8    H    ALA   2           HN       ALA   2  11.034   9.847  -1.301
    9    HA   ALA   2           HA       ALA   2   9.328  11.858  -2.551
   10    HB1  ALA   2           HB1      ALA   2   7.397  10.317  -2.373
   11    HB2  ALA   2           HB2      ALA   2   8.494   9.023  -1.884
   12    HB3  ALA   2           HB3      ALA   2   8.610   9.711  -3.504
   13    H    THR   3           HN       THR   3   7.147  11.254  -0.745
   14    HA   THR   3           HA       THR   3   8.309  11.078   1.865
   15    HB   THR   3           HB       THR   3   6.550  13.472   1.111
   16    HG1  THR   3           HG1      THR   3   9.174  13.013   0.889
   17   HG21  THR   3          HG21      THR   3   7.224  14.357   3.333
   18   HG22  THR   3          HG22      THR   3   8.064  12.839   3.672
   19   HG23  THR   3          HG23      THR   3   6.311  12.862   3.473
   20    H    GLN   4           HN       GLN   4   6.344  11.042   3.518
   21    HA   GLN   4           HA       GLN   4   4.918   8.780   3.121
   22    HB2  GLN   4           HB2      GLN   4   3.452   9.536   4.996
   23    HB3  GLN   4           HB1      GLN   4   5.178   9.606   5.303
   24    HG2  GLN   4           HG2      GLN   4   5.189  11.998   4.955
   25    HG3  GLN   4           HG1      GLN   4   3.475  11.969   4.538
   26   HE21  GLN   4          HE21      GLN   4   1.982  11.810   6.138
   27   HE22  GLN   4          HE22      GLN   4   2.383  11.893   7.825
   28    H    GLU   5           HN       GLU   5   3.526  12.044   2.612
   29    HA   GLU   5           HA       GLU   5   0.936  11.114   2.041
   30    HB2  GLU   5           HB2      GLU   5   2.219  13.688   1.110
   31    HB3  GLU   5           HB1      GLU   5   0.496  13.363   1.233
   32    HG2  GLU   5           HG2      GLU   5   2.445  13.544   3.525
   33    HG3  GLU   5           HG1      GLU   5   1.269  14.765   3.058
   34    H    GLU   6           HN       GLU   6   3.625  12.034  -0.024
   35    HA   GLU   6           HA       GLU   6   2.492  11.571  -2.534
   36    HB2  GLU   6           HB2      GLU   6   5.317  11.421  -1.534
   37    HB3  GLU   6           HB1      GLU   6   4.919  11.121  -3.218
   38    HG2  GLU   6           HG2      GLU   6   4.136  13.638  -1.787
   39    HG3  GLU   6           HG1      GLU   6   5.668  13.452  -2.641
   40    H    ILE   7           HN       ILE   7   4.055   9.330  -0.327
   41    HA   ILE   7           HA       ILE   7   3.970   7.118  -2.108
   42    HB   ILE   7           HB       ILE   7   4.147   7.206   0.921
   43   HG12  ILE   7          HG12      ILE   7   6.105   8.188  -0.197
   44   HG13  ILE   7          HG11      ILE   7   6.538   6.686   0.602
   45   HG21  ILE   7          HG21      ILE   7   3.209   5.080   0.271
   46   HG22  ILE   7          HG22      ILE   7   4.865   4.864   0.836
   47   HG23  ILE   7          HG23      ILE   7   4.511   4.830  -0.892
   48   HD11  ILE   7          HD11      ILE   7   6.528   5.534  -1.589
   49   HD12  ILE   7          HD12      ILE   7   7.646   6.880  -1.585
   50   HD13  ILE   7          HD13      ILE   7   6.085   7.043  -2.374
   51    H    VAL   8           HN       VAL   8   1.864   8.118   0.586
   52    HA   VAL   8           HA       VAL   8  -0.070   6.104   0.297
   53    HB   VAL   8           HB       VAL   8  -0.442   8.944   1.332
   54   HG11  VAL   8          HG11      VAL   8  -2.395   8.071   2.522
   55   HG12  VAL   8          HG12      VAL   8  -2.168   6.505   1.743
   56   HG13  VAL   8          HG13      VAL   8  -2.589   7.920   0.777
   57   HG21  VAL   8          HG21      VAL   8  -0.193   7.937   3.546
   58   HG22  VAL   8          HG22      VAL   8   1.248   7.703   2.559
   59   HG23  VAL   8          HG23      VAL   8   0.116   6.371   2.794
   60    H    ALA   9           HN       ALA   9   0.195   9.257  -1.270
   61    HA   ALA   9           HA       ALA   9  -2.230   9.181  -2.712
   62    HB1  ALA   9           HB1      ALA   9  -0.959  11.231  -2.339
   63    HB2  ALA   9           HB2      ALA   9  -1.241  10.960  -4.062
   64    HB3  ALA   9           HB3      ALA   9   0.339  10.604  -3.353
   65    H    GLY  10           HN       GLY  10   0.881   7.743  -3.265
   66    HA2  GLY  10           HA2      GLY  10   0.349   7.047  -6.001
   67    HA3  GLY  10           HA1      GLY  10   1.651   6.389  -5.001
   68    H    LEU  11           HN       LEU  11   0.236   5.448  -2.873
   69    HA   LEU  11           HA       LEU  11  -0.506   2.861  -3.592
   70    HB2  LEU  11           HB2      LEU  11  -1.347   4.430  -1.154
   71    HB3  LEU  11           HB1      LEU  11  -1.521   2.700  -1.337
   72    HG   LEU  11           HG       LEU  11   1.118   4.163  -1.284
   73   HD11  LEU  11          HD11      LEU  11  -0.280   2.556   0.859
   74   HD12  LEU  11          HD12      LEU  11  -0.019   4.302   0.877
   75   HD13  LEU  11          HD13      LEU  11   1.355   3.202   0.965
   76   HD21  LEU  11          HD21      LEU  11   0.445   1.219  -1.172
   77   HD22  LEU  11          HD22      LEU  11   2.061   1.913  -1.001
   78   HD23  LEU  11          HD23      LEU  11   1.193   2.063  -2.528
   79    H    ALA  12           HN       ALA  12  -2.544   5.638  -2.872
   80    HA   ALA  12           HA       ALA  12  -4.979   4.269  -3.119
   81    HB1  ALA  12           HB1      ALA  12  -6.049   6.376  -3.114
   82    HB2  ALA  12           HB2      ALA  12  -4.518   7.213  -3.447
   83    HB3  ALA  12           HB3      ALA  12  -4.761   6.354  -1.907
   84    H    GLU  13           HN       GLU  13  -2.911   5.650  -5.547
   85    HA   GLU  13           HA       GLU  13  -4.824   5.840  -7.604
   86    HB2  GLU  13           HB2      GLU  13  -1.848   5.511  -7.562
   87    HB3  GLU  13           HB1      GLU  13  -2.722   5.359  -9.078
   88    HG2  GLU  13           HG2      GLU  13  -2.897   7.759  -7.276
   89    HG3  GLU  13           HG1      GLU  13  -1.784   7.614  -8.644
   90    H    ILE  14           HN       ILE  14  -2.709   3.191  -6.652
   91    HA   ILE  14           HA       ILE  14  -3.885   1.483  -8.605
   92    HB   ILE  14           HB       ILE  14  -2.232   0.581  -6.199
   93   HG12  ILE  14          HG12      ILE  14  -0.417   0.221  -7.994
   94   HG13  ILE  14          HG11      ILE  14  -1.366   1.281  -9.020
   95   HG21  ILE  14          HG21      ILE  14  -2.945  -0.802  -8.769
   96   HG22  ILE  14          HG22      ILE  14  -3.599  -1.158  -7.168
   97   HG23  ILE  14          HG23      ILE  14  -1.888  -1.459  -7.512
   98   HD11  ILE  14          HD11      ILE  14  -0.100   2.006  -6.389
   99   HD12  ILE  14          HD12      ILE  14  -1.065   3.085  -7.393
  100   HD13  ILE  14          HD13      ILE  14   0.471   2.461  -7.995
  101    H    VAL  15           HN       VAL  15  -4.356   2.026  -5.149
  102    HA   VAL  15           HA       VAL  15  -6.195  -0.070  -4.914
  103    HB   VAL  15           HB       VAL  15  -5.970   2.365  -3.096
  104   HG11  VAL  15          HG11      VAL  15  -7.407  -0.247  -2.664
  105   HG12  VAL  15          HG12      VAL  15  -8.178   1.317  -2.932
  106   HG13  VAL  15          HG13      VAL  15  -7.222   1.042  -1.476
  107   HG21  VAL  15          HG21      VAL  15  -4.895   0.823  -1.584
  108   HG22  VAL  15          HG22      VAL  15  -3.978   0.945  -3.098
  109   HG23  VAL  15          HG23      VAL  15  -4.998  -0.464  -2.773
  110    H    ASN  16           HN       ASN  16  -6.657   3.185  -6.068
  111    HA   ASN  16           HA       ASN  16  -9.482   3.069  -6.050
  112    HB2  ASN  16           HB2      ASN  16  -8.414   5.242  -6.286
  113    HB3  ASN  16           HB1      ASN  16  -7.632   4.737  -7.780
  114   HD21  ASN  16          HD21      ASN  16 -10.679   5.723  -6.314
  115   HD22  ASN  16          HD22      ASN  16 -11.510   5.959  -7.798
  116    H    GLU  17           HN       GLU  17  -7.057   2.151  -8.461
  117    HA   GLU  17           HA       GLU  17  -9.081   1.517 -10.373
  118    HB2  GLU  17           HB2      GLU  17  -7.320   0.584 -11.777
  119    HB3  GLU  17           HB1      GLU  17  -6.836   2.147 -11.141
  120    HG2  GLU  17           HG2      GLU  17  -5.374   1.113  -9.558
  121    HG3  GLU  17           HG1      GLU  17  -5.975  -0.484  -9.987
  122    H    ILE  18           HN       ILE  18  -7.625  -0.218  -7.793
  123    HA   ILE  18           HA       ILE  18  -8.549  -2.805  -8.803
  124    HB   ILE  18           HB       ILE  18  -7.207  -2.042  -6.197
  125   HG12  ILE  18          HG12      ILE  18  -5.725  -1.788  -8.137
  126   HG13  ILE  18          HG11      ILE  18  -5.199  -3.112  -7.109
  127   HG21  ILE  18          HG21      ILE  18  -6.833  -4.441  -5.830
  128   HG22  ILE  18          HG22      ILE  18  -7.835  -4.798  -7.238
  129   HG23  ILE  18          HG23      ILE  18  -8.542  -4.002  -5.829
  130   HD11  ILE  18          HD11      ILE  18  -6.183  -4.700  -8.667
  131   HD12  ILE  18          HD12      ILE  18  -4.988  -3.668  -9.458
  132   HD13  ILE  18          HD13      ILE  18  -6.714  -3.366  -9.690
  133    H    ALA  19           HN       ALA  19  -9.171  -0.755  -5.925
  134    HA   ALA  19           HA       ALA  19 -11.441  -2.487  -5.276
  135    HB1  ALA  19           HB1      ALA  19 -11.235  -1.674  -3.012
  136    HB2  ALA  19           HB2      ALA  19  -9.983  -0.536  -3.519
  137    HB3  ALA  19           HB3      ALA  19  -9.683  -2.272  -3.607
  138    H    GLY  20           HN       GLY  20 -10.680   0.792  -6.103
  139    HA2  GLY  20           HA2      GLY  20 -12.215   2.358  -6.932
  140    HA3  GLY  20           HA1      GLY  20 -13.523   1.330  -6.372
  141    H    ILE  21           HN       ILE  21 -10.810   2.715  -4.589
  142    HA   ILE  21           HA       ILE  21 -12.695   3.741  -2.638
  143    HB   ILE  21           HB       ILE  21 -10.613   4.392  -1.350
  144   HG12  ILE  21          HG12      ILE  21  -8.532   3.028  -1.984
  145   HG13  ILE  21          HG11      ILE  21  -9.265   2.820  -3.558
  146   HG21  ILE  21          HG21      ILE  21 -11.879   2.457  -0.765
  147   HG22  ILE  21          HG22      ILE  21 -10.159   2.125  -0.572
  148   HG23  ILE  21          HG23      ILE  21 -11.029   1.482  -1.967
  149   HD11  ILE  21          HD11      ILE  21  -9.181   5.258  -3.885
  150   HD12  ILE  21          HD12      ILE  21  -7.595   4.550  -3.616
  151   HD13  ILE  21          HD13      ILE  21  -8.403   5.426  -2.310
  152    HA   PRO  22           HA       PRO  22 -12.181   7.975  -3.914
  153    HB2  PRO  22           HB2      PRO  22 -12.621   8.883  -1.189
  154    HB3  PRO  22           HB1      PRO  22 -13.727   8.976  -2.561
  155    HG2  PRO  22           HG2      PRO  22 -14.157   7.375  -0.399
  156    HG3  PRO  22           HG1      PRO  22 -14.772   7.019  -2.021
  157    HD2  PRO  22           HD2      PRO  22 -12.374   5.917  -0.615
  158    HD3  PRO  22           HD1      PRO  22 -13.564   5.075  -1.631
  159    H    VAL  23           HN       VAL  23 -10.462   9.372  -3.922
  160    HA   VAL  23           HA       VAL  23  -8.192   8.452  -2.376
  161    HB   VAL  23           HB       VAL  23  -6.777   9.841  -3.838
  162   HG11  VAL  23          HG11      VAL  23  -8.778   8.081  -5.228
  163   HG12  VAL  23          HG12      VAL  23  -7.339   7.547  -4.378
  164   HG13  VAL  23          HG13      VAL  23  -7.180   8.504  -5.867
  165   HG21  VAL  23          HG21      VAL  23  -7.772  10.941  -5.805
  166   HG22  VAL  23          HG22      VAL  23  -8.370  11.658  -4.307
  167   HG23  VAL  23          HG23      VAL  23  -9.384  10.537  -5.214
  168    H    GLU  24           HN       GLU  24 -10.311  10.034  -1.242
  169    HA   GLU  24           HA       GLU  24  -8.750  12.217   0.002
  170    HB2  GLU  24           HB2      GLU  24 -11.674  11.569   0.317
  171    HB3  GLU  24           HB1      GLU  24 -10.848  13.046   0.772
  172    HG2  GLU  24           HG2      GLU  24 -10.598  13.666  -1.528
  173    HG3  GLU  24           HG1      GLU  24 -11.261  12.109  -2.051
  174    H    ASP  25           HN       ASP  25  -9.929   9.059   0.253
  175    HA   ASP  25           HA       ASP  25 -10.523   9.116   3.086
  176    HB2  ASP  25           HB2      ASP  25 -11.727   7.802   1.126
  177    HB3  ASP  25           HB1      ASP  25 -10.462   6.646   1.428
  178    H    VAL  26           HN       VAL  26  -8.321   7.531   0.858
  179    HA   VAL  26           HA       VAL  26  -6.937   6.023   2.817
  180    HB   VAL  26           HB       VAL  26  -6.026   6.770   0.021
  181   HG11  VAL  26          HG11      VAL  26  -5.161   4.506   1.826
  182   HG12  VAL  26          HG12      VAL  26  -4.202   5.927   1.411
  183   HG13  VAL  26          HG13      VAL  26  -4.628   4.757   0.163
  184   HG21  VAL  26          HG21      VAL  26  -8.197   5.671  -0.016
  185   HG22  VAL  26          HG22      VAL  26  -7.567   4.363   0.986
  186   HG23  VAL  26          HG23      VAL  26  -6.947   4.602  -0.651
  187    H    LYS  27           HN       LYS  27  -6.256   7.330   4.393
  188    HA   LYS  27           HA       LYS  27  -3.941   9.011   3.805
  189    HB2  LYS  27           HB2      LYS  27  -6.161   9.426   5.823
  190    HB3  LYS  27           HB1      LYS  27  -4.620  10.274   5.930
  191    HG2  LYS  27           HG2      LYS  27  -4.980  11.301   3.783
  192    HG3  LYS  27           HG1      LYS  27  -6.450  10.365   3.548
  193    HD2  LYS  27           HD2      LYS  27  -6.052  12.343   5.780
  194    HD3  LYS  27           HD1      LYS  27  -6.792  12.744   4.227
  195    HE2  LYS  27           HE2      LYS  27  -8.469  10.950   4.652
  196    HE3  LYS  27           HE1      LYS  27  -7.782  10.762   6.266
  197    HZ1  LYS  27           HZ1      LYS  27  -9.754  12.257   6.197
  198    HZ2  LYS  27           HZ2      LYS  27  -8.884  13.285   5.186
  199    HZ3  LYS  27           HZ3      LYS  27  -8.353  13.046   6.759
  200    H    LEU  28           HN       LEU  28  -2.755   9.216   6.209
  201    HA   LEU  28           HA       LEU  28  -1.497   6.767   6.415
  202    HB2  LEU  28           HB2      LEU  28  -1.427   9.177   8.159
  203    HB3  LEU  28           HB1      LEU  28  -0.655   7.711   8.717
  204    HG   LEU  28           HG       LEU  28   0.964   9.214   7.703
  205   HD11  LEU  28          HD11      LEU  28   1.376   6.846   7.529
  206   HD12  LEU  28          HD12      LEU  28   1.978   7.684   6.099
  207   HD13  LEU  28          HD13      LEU  28   0.468   6.776   6.020
  208   HD21  LEU  28          HD21      LEU  28  -0.650   8.916   5.178
  209   HD22  LEU  28          HD22      LEU  28   0.918   9.708   5.311
  210   HD23  LEU  28          HD23      LEU  28  -0.485  10.388   6.138
  211    H    ASP  29           HN       ASP  29  -4.112   7.888   8.525
  212    HA   ASP  29           HA       ASP  29  -3.820   5.355   9.919
  213    HB2  ASP  29           HB2      ASP  29  -4.239   7.376  11.300
  214    HB3  ASP  29           HB1      ASP  29  -5.823   7.531  10.540
  215    H    LYS  30           HN       LYS  30  -4.255   4.425   7.890
  216    HA   LYS  30           HA       LYS  30  -7.024   3.470   7.788
  217    HB2  LYS  30           HB2      LYS  30  -5.337   4.341   5.432
  218    HB3  LYS  30           HB1      LYS  30  -6.787   3.356   5.282
  219    HG2  LYS  30           HG2      LYS  30  -6.742   5.978   6.635
  220    HG3  LYS  30           HG1      LYS  30  -7.018   5.853   4.884
  221    HD2  LYS  30           HD2      LYS  30  -8.958   4.443   5.270
  222    HD3  LYS  30           HD1      LYS  30  -8.641   4.442   7.002
  223    HE2  LYS  30           HE2      LYS  30  -9.187   6.740   7.183
  224    HE3  LYS  30           HE1      LYS  30  -9.210   6.924   5.426
  225    HZ1  LYS  30           HZ1      LYS  30 -11.072   5.142   6.900
  226    HZ2  LYS  30           HZ2      LYS  30 -11.147   5.658   5.264
  227    HZ3  LYS  30           HZ3      LYS  30 -11.441   6.752   6.491
  228    H    SER  31           HN       SER  31  -7.144   1.328   7.048
  229    HA   SER  31           HA       SER  31  -4.667  -0.055   6.458
  230    HB2  SER  31           HB2      SER  31  -5.707  -1.960   7.810
  231    HB3  SER  31           HB1      SER  31  -5.007  -0.604   8.707
  232    HG   SER  31           HG       SER  31  -6.889  -0.236   9.506
  233    H    PHE  32           HN       PHE  32  -5.125  -1.958   5.103
  234    HA   PHE  32           HA       PHE  32  -6.918  -1.001   3.147
  235    HB2  PHE  32           HB2      PHE  32  -5.247  -3.487   3.182
  236    HB3  PHE  32           HB1      PHE  32  -6.194  -2.938   1.798
  237    HD1  PHE  32           HD2      PHE  32  -5.586  -0.885   0.609
  238    HD2  PHE  32           HD1      PHE  32  -3.220  -2.381   3.813
  239    HE1  PHE  32           HE2      PHE  32  -3.710   0.568  -0.084
  240    HE2  PHE  32           HE1      PHE  32  -1.366  -0.933   3.116
  241    HZ   PHE  32           HZ       PHE  32  -1.614   0.536   1.166
  242    H    THR  33           HN       THR  33  -7.148  -3.889   5.186
  243    HA   THR  33           HA       THR  33  -9.867  -3.921   4.149
  244    HB   THR  33           HB       THR  33  -8.679  -5.791   3.256
  245    HG1  THR  33           HG1      THR  33 -10.752  -6.192   5.033
  246   HG21  THR  33          HG21      THR  33  -8.168  -6.651   6.103
  247   HG22  THR  33          HG22      THR  33  -6.967  -6.096   4.938
  248   HG23  THR  33          HG23      THR  33  -7.803  -7.627   4.681
  249    H    ASP  34           HN       ASP  34  -8.954  -2.559   6.427
  250    HA   ASP  34           HA       ASP  34 -10.789  -3.792   8.352
  251    HB2  ASP  34           HB2      ASP  34  -8.479  -4.030   9.232
  252    HB3  ASP  34           HB1      ASP  34  -8.264  -2.287   9.109
  253    H    ASP  35           HN       ASP  35  -9.012  -0.746   7.870
  254    HA   ASP  35           HA       ASP  35 -11.388   0.735   8.550
  255    HB2  ASP  35           HB2      ASP  35  -8.904   1.486   8.932
  256    HB3  ASP  35           HB1      ASP  35  -8.948   1.932   7.237
  257    H    LEU  36           HN       LEU  36  -9.707  -0.291   5.631
  258    HA   LEU  36           HA       LEU  36 -11.581   1.220   3.980
  259    HB2  LEU  36           HB2      LEU  36  -9.061  -0.272   3.254
  260    HB3  LEU  36           HB1      LEU  36 -10.074   0.605   2.126
  261    HG   LEU  36           HG       LEU  36  -8.564   1.863   4.415
  262   HD11  LEU  36          HD11      LEU  36  -7.099   2.756   2.673
  263   HD12  LEU  36          HD12      LEU  36  -7.981   1.837   1.453
  264   HD13  LEU  36          HD13      LEU  36  -7.056   0.994   2.697
  265   HD21  LEU  36          HD21      LEU  36  -9.176   3.947   3.315
  266   HD22  LEU  36          HD22      LEU  36 -10.597   3.002   3.800
  267   HD23  LEU  36          HD23      LEU  36 -10.090   3.024   2.112
  268    H    ASP  37           HN       ASP  37 -12.025  -0.111   1.858
  269    HA   ASP  37           HA       ASP  37 -13.154  -2.693   2.729
  270    HB2  ASP  37           HB2      ASP  37 -14.903  -2.378   1.031
  271    HB3  ASP  37           HB1      ASP  37 -14.879  -1.020   2.141
  272    H    VAL  38           HN       VAL  38 -10.536  -2.034   1.675
  273    HA   VAL  38           HA       VAL  38 -10.401  -2.977  -1.046
  274    HB   VAL  38           HB       VAL  38  -8.169  -2.607   0.952
  275   HG11  VAL  38          HG11      VAL  38  -6.757  -2.331  -1.034
  276   HG12  VAL  38          HG12      VAL  38  -8.160  -2.628  -2.063
  277   HG13  VAL  38          HG13      VAL  38  -7.558  -3.905  -1.010
  278   HG21  VAL  38          HG21      VAL  38  -7.863  -0.372  -0.004
  279   HG22  VAL  38          HG22      VAL  38  -9.427  -0.544   0.790
  280   HG23  VAL  38          HG23      VAL  38  -9.323  -0.594  -0.968
  281    H    ASP  39           HN       ASP  39 -10.911  -5.062  -1.249
  282    HA   ASP  39           HA       ASP  39 -10.585  -7.077   0.640
  283    HB2  ASP  39           HB2      ASP  39 -10.687  -7.232  -2.375
  284    HB3  ASP  39           HB1      ASP  39 -10.613  -8.658  -1.356
  285    H    SER  40           HN       SER  40  -8.958  -8.185   1.317
  286    HA   SER  40           HA       SER  40  -6.376  -7.256   1.079
  287    HB2  SER  40           HB2      SER  40  -5.833  -9.239   2.416
  288    HB3  SER  40           HB1      SER  40  -7.266  -8.315   2.947
  289    H    LEU  41           HN       LEU  41  -7.770 -10.228  -0.287
  290    HA   LEU  41           HA       LEU  41  -5.396 -11.094  -1.427
  291    HB2  LEU  41           HB2      LEU  41  -8.247 -11.707  -2.195
  292    HB3  LEU  41           HB1      LEU  41  -6.922 -12.359  -3.125
  293    HG   LEU  41           HG       LEU  41  -6.121 -13.548  -1.081
  294   HD11  LEU  41          HD11      LEU  41  -7.601 -13.800   0.829
  295   HD12  LEU  41          HD12      LEU  41  -8.701 -12.602   0.146
  296   HD13  LEU  41          HD13      LEU  41  -7.077 -12.127   0.641
  297   HD21  LEU  41          HD21      LEU  41  -8.954 -14.123  -1.912
  298   HD22  LEU  41          HD22      LEU  41  -7.872 -15.249  -1.096
  299   HD23  LEU  41          HD23      LEU  41  -7.490 -14.679  -2.722
  300    H    SER  42           HN       SER  42  -7.674  -8.742  -2.410
  301    HA   SER  42           HA       SER  42  -6.721  -8.402  -5.099
  302    HB2  SER  42           HB2      SER  42  -8.578  -6.846  -3.361
  303    HB3  SER  42           HB1      SER  42  -8.333  -6.500  -5.085
  304    HG   SER  42           HG       SER  42  -9.384  -8.891  -3.907
  305    H    MET  43           HN       MET  43  -6.076  -7.053  -1.929
  306    HA   MET  43           HA       MET  43  -4.793  -4.660  -2.788
  307    HB2  MET  43           HB2      MET  43  -5.684  -5.337  -0.433
  308    HB3  MET  43           HB1      MET  43  -4.144  -6.151  -0.245
  309    HG2  MET  43           HG2      MET  43  -4.503  -3.199  -0.765
  310    HG3  MET  43           HG1      MET  43  -4.246  -3.933   0.807
  311    HE1  MET  43           HE1      MET  43  -0.558  -5.206   0.487
  312    HE2  MET  43           HE2      MET  43  -2.036  -6.110   0.161
  313    HE3  MET  43           HE3      MET  43  -1.946  -5.036   1.554
  314    H    VAL  44           HN       VAL  44  -3.957  -7.903  -2.509
  315    HA   VAL  44           HA       VAL  44  -1.145  -7.750  -2.664
  316    HB   VAL  44           HB       VAL  44  -2.843  -9.931  -3.931
  317   HG11  VAL  44          HG11      VAL  44  -0.021 -10.023  -2.876
  318   HG12  VAL  44          HG12      VAL  44  -0.504 -10.058  -4.571
  319   HG13  VAL  44          HG13      VAL  44  -0.929 -11.399  -3.505
  320   HG21  VAL  44          HG21      VAL  44  -3.554  -9.626  -1.646
  321   HG22  VAL  44          HG22      VAL  44  -1.899  -9.706  -1.067
  322   HG23  VAL  44          HG23      VAL  44  -2.655 -11.133  -1.777
  323    H    GLU  45           HN       GLU  45  -3.654  -7.280  -5.016
  324    HA   GLU  45           HA       GLU  45  -1.925  -7.354  -7.306
  325    HB2  GLU  45           HB2      GLU  45  -4.759  -6.340  -7.036
  326    HB3  GLU  45           HB1      GLU  45  -3.909  -6.623  -8.548
  327    HG2  GLU  45           HG2      GLU  45  -4.687  -8.696  -6.516
  328    HG3  GLU  45           HG1      GLU  45  -5.421  -8.437  -8.100
  329    H    VAL  46           HN       VAL  46  -2.868  -5.170  -4.935
  330    HA   VAL  46           HA       VAL  46  -2.259  -2.748  -6.357
  331    HB   VAL  46           HB       VAL  46  -2.547  -3.267  -3.376
  332   HG11  VAL  46          HG11      VAL  46  -2.793  -0.834  -3.159
  333   HG12  VAL  46          HG12      VAL  46  -2.458  -0.650  -4.880
  334   HG13  VAL  46          HG13      VAL  46  -1.211  -1.277  -3.803
  335   HG21  VAL  46          HG21      VAL  46  -4.505  -2.124  -5.364
  336   HG22  VAL  46          HG22      VAL  46  -4.759  -2.221  -3.620
  337   HG23  VAL  46          HG23      VAL  46  -4.615  -3.700  -4.576
  338    H    VAL  47           HN       VAL  47  -0.792  -4.585  -3.695
  339    HA   VAL  47           HA       VAL  47   1.528  -3.077  -3.587
  340    HB   VAL  47           HB       VAL  47   0.898  -4.573  -1.739
  341   HG11  VAL  47          HG11      VAL  47   0.163  -6.514  -2.966
  342   HG12  VAL  47          HG12      VAL  47   1.400  -6.959  -1.789
  343   HG13  VAL  47          HG13      VAL  47   1.813  -6.827  -3.501
  344   HG21  VAL  47          HG21      VAL  47   3.165  -3.740  -1.835
  345   HG22  VAL  47          HG22      VAL  47   3.654  -5.108  -2.828
  346   HG23  VAL  47          HG23      VAL  47   3.149  -5.369  -1.154
  347    H    VAL  48           HN       VAL  48   0.850  -5.779  -5.745
  348    HA   VAL  48           HA       VAL  48   3.548  -6.050  -6.565
  349    HB   VAL  48           HB       VAL  48   1.827  -7.809  -7.005
  350   HG11  VAL  48          HG11      VAL  48   0.830  -5.965  -9.152
  351   HG12  VAL  48          HG12      VAL  48  -0.033  -6.462  -7.695
  352   HG13  VAL  48          HG13      VAL  48   0.352  -7.650  -8.943
  353   HG21  VAL  48          HG21      VAL  48   2.610  -8.465  -9.243
  354   HG22  VAL  48          HG22      VAL  48   3.922  -7.915  -8.202
  355   HG23  VAL  48          HG23      VAL  48   3.290  -6.851  -9.459
  356    H    ALA  49           HN       ALA  49   1.058  -3.816  -7.442
  357    HA   ALA  49           HA       ALA  49   2.572  -2.723  -9.660
  358    HB1  ALA  49           HB1      ALA  49   0.738  -1.091  -9.807
  359    HB2  ALA  49           HB2      ALA  49   0.043  -1.740  -8.322
  360    HB3  ALA  49           HB3      ALA  49   0.119  -2.742  -9.770
  361    H    ALA  50           HN       ALA  50   2.174  -2.301  -6.302
  362    HA   ALA  50           HA       ALA  50   3.151   0.357  -6.119
  363    HB1  ALA  50           HB1      ALA  50   1.779  -0.654  -4.336
  364    HB2  ALA  50           HB2      ALA  50   3.319  -0.052  -3.720
  365    HB3  ALA  50           HB3      ALA  50   3.091  -1.782  -3.988
  366    H    GLU  51           HN       GLU  51   4.633  -2.813  -5.969
  367    HA   GLU  51           HA       GLU  51   7.211  -2.098  -5.192
  368    HB2  GLU  51           HB2      GLU  51   6.477  -4.193  -7.233
  369    HB3  GLU  51           HB1      GLU  51   7.974  -4.105  -6.326
  370    HG2  GLU  51           HG2      GLU  51   6.688  -4.458  -4.254
  371    HG3  GLU  51           HG1      GLU  51   5.234  -4.628  -5.229
  372    H    GLU  52           HN       GLU  52   5.825  -2.278  -8.438
  373    HA   GLU  52           HA       GLU  52   8.201  -1.334  -9.674
  374    HB2  GLU  52           HB2      GLU  52   6.742  -1.115 -11.726
  375    HB3  GLU  52           HB1      GLU  52   6.869  -2.721 -11.028
  376    HG2  GLU  52           HG2      GLU  52   4.720  -2.609 -10.116
  377    HG3  GLU  52           HG1      GLU  52   4.564  -0.885 -10.416
  378    H    ARG  53           HN       ARG  53   5.237   0.229  -8.585
  379    HA   ARG  53           HA       ARG  53   5.780   2.688  -9.886
  380    HB2  ARG  53           HB2      ARG  53   3.492   2.120  -9.187
  381    HB3  ARG  53           HB1      ARG  53   3.984   2.178  -7.497
  382    HG2  ARG  53           HG2      ARG  53   2.859   4.236  -8.121
  383    HG3  ARG  53           HG1      ARG  53   4.561   4.554  -7.753
  384    HD2  ARG  53           HD2      ARG  53   4.813   4.078 -10.338
  385    HD3  ARG  53           HD1      ARG  53   3.133   4.598 -10.351
  386    HE   ARG  53           HE       ARG  53   4.543   6.485  -8.904
  387   HH11  ARG  53          HH11      ARG  53   4.418   5.241 -12.224
  388   HH12  ARG  53          HH12      ARG  53   5.134   6.598 -12.932
  389   HH21  ARG  53          HH21      ARG  53   5.530   8.335  -9.819
  390   HH22  ARG  53          HH22      ARG  53   5.787   8.448 -11.512
  391    H    PHE  54           HN       PHE  54   6.201   1.636  -6.515
  392    HA   PHE  54           HA       PHE  54   7.340   4.182  -5.876
  393    HB2  PHE  54           HB2      PHE  54   6.795   1.780  -4.150
  394    HB3  PHE  54           HB1      PHE  54   7.434   3.314  -3.558
  395    HD1  PHE  54           HD2      PHE  54   6.069   5.410  -4.145
  396    HD2  PHE  54           HD1      PHE  54   4.544   1.457  -4.247
  397    HE1  PHE  54           HE2      PHE  54   3.800   6.287  -3.931
  398    HE2  PHE  54           HE1      PHE  54   2.266   2.327  -4.028
  399    HZ   PHE  54           HZ       PHE  54   1.898   4.766  -3.991
  400    H    ASP  55           HN       ASP  55   8.487   1.525  -7.277
  401    HA   ASP  55           HA       ASP  55  10.560   0.854  -7.916
  402    HB2  ASP  55           HB2      ASP  55  10.937   3.304  -8.031
  403    HB3  ASP  55           HB1      ASP  55  11.520   3.285  -6.376
  404    H    VAL  56           HN       VAL  56   9.397   0.359  -5.122
  405    HA   VAL  56           HA       VAL  56  11.800  -0.779  -3.905
  406    HB   VAL  56           HB       VAL  56  11.083   1.077  -2.512
  407   HG11  VAL  56          HG11      VAL  56   8.875   1.215  -1.462
  408   HG12  VAL  56          HG12      VAL  56   8.335  -0.162  -2.431
  409   HG13  VAL  56          HG13      VAL  56   8.795   1.348  -3.214
  410   HG21  VAL  56          HG21      VAL  56  11.882  -0.867  -1.304
  411   HG22  VAL  56          HG22      VAL  56  10.249  -1.533  -1.250
  412   HG23  VAL  56          HG23      VAL  56  10.624  -0.048  -0.373
  413    H    LYS  57           HN       LYS  57  11.774  -2.862  -3.793
  414    HA   LYS  57           HA       LYS  57   9.511  -4.394  -4.611
  415    HB2  LYS  57           HB2      LYS  57  11.732  -5.161  -5.186
  416    HB3  LYS  57           HB1      LYS  57  12.203  -5.192  -3.494
  417    HG2  LYS  57           HG2      LYS  57  10.659  -7.008  -3.073
  418    HG3  LYS  57           HG1      LYS  57  10.100  -6.946  -4.744
  419    HD2  LYS  57           HD2      LYS  57  12.308  -7.560  -5.528
  420    HD3  LYS  57           HD1      LYS  57  12.922  -7.543  -3.872
  421    HE2  LYS  57           HE2      LYS  57  11.399  -9.352  -3.283
  422    HE3  LYS  57           HE1      LYS  57  10.755  -9.351  -4.924
  423    HZ1  LYS  57           HZ1      LYS  57  13.582  -9.895  -4.221
  424    HZ2  LYS  57           HZ2      LYS  57  12.847 -10.056  -5.768
  425    HZ3  LYS  57           HZ3      LYS  57  12.401 -11.080  -4.486
  426    H    ILE  58           HN       ILE  58   8.008  -5.274  -3.384
  427    HA   ILE  58           HA       ILE  58   8.394  -5.297  -0.490
  428    HB   ILE  58           HB       ILE  58   5.762  -4.511  -1.797
  429   HG12  ILE  58          HG12      ILE  58   7.766  -2.624  -0.524
  430   HG13  ILE  58          HG11      ILE  58   7.549  -2.794  -2.259
  431   HG21  ILE  58          HG21      ILE  58   5.644  -5.459   0.463
  432   HG22  ILE  58          HG22      ILE  58   5.212  -3.752   0.482
  433   HG23  ILE  58          HG23      ILE  58   6.808  -4.265   1.033
  434   HD11  ILE  58          HD11      ILE  58   6.393  -0.836  -1.411
  435   HD12  ILE  58          HD12      ILE  58   5.471  -1.848  -0.299
  436   HD13  ILE  58          HD13      ILE  58   5.242  -2.014  -2.040
  437    HA   PRO  59           HA       PRO  59   7.240  -9.459  -1.967
  438    HB2  PRO  59           HB2      PRO  59   8.095 -10.117   0.794
  439    HB3  PRO  59           HB1      PRO  59   8.634 -10.815  -0.739
  440    HG2  PRO  59           HG2      PRO  59  10.224  -9.194   0.660
  441    HG3  PRO  59           HG1      PRO  59  10.186  -9.135  -1.112
  442    HD2  PRO  59           HD2      PRO  59   8.876  -7.313   0.873
  443    HD3  PRO  59           HD1      PRO  59   9.725  -6.908  -0.635
  444    H    ASP  60           HN       ASP  60   5.180 -10.079  -1.841
  445    HA   ASP  60           HA       ASP  60   3.341  -8.928  -0.077
  446    HB2  ASP  60           HB2      ASP  60   1.661 -10.449  -0.974
  447    HB3  ASP  60           HB1      ASP  60   2.673  -9.857  -2.283
  448    H    ASP  61           HN       ASP  61   5.275 -11.762   0.230
  449    HA   ASP  61           HA       ASP  61   3.950 -13.044   2.350
  450    HB2  ASP  61           HB2      ASP  61   5.780 -14.094   1.096
  451    HB3  ASP  61           HB1      ASP  61   6.914 -12.919   1.747
  452    H    ASP  62           HN       ASP  62   6.137 -10.280   2.310
  453    HA   ASP  62           HA       ASP  62   6.356 -10.191   5.215
  454    HB2  ASP  62           HB2      ASP  62   8.254  -9.464   3.660
  455    HB3  ASP  62           HB1      ASP  62   7.272  -8.064   3.245
  456    H    VAL  63           HN       VAL  63   4.643  -8.742   2.620
  457    HA   VAL  63           HA       VAL  63   3.415  -6.552   3.843
  458    HB   VAL  63           HB       VAL  63   2.344  -8.378   1.661
  459   HG11  VAL  63          HG11      VAL  63   0.866  -6.548   1.019
  460   HG12  VAL  63          HG12      VAL  63   1.398  -5.625   2.426
  461   HG13  VAL  63          HG13      VAL  63   0.505  -7.129   2.644
  462   HG21  VAL  63          HG21      VAL  63   3.100  -6.627   0.146
  463   HG22  VAL  63          HG22      VAL  63   4.424  -7.317   1.084
  464   HG23  VAL  63          HG23      VAL  63   3.765  -5.737   1.515
  465    H    LYS  64           HN       LYS  64   2.899  -9.894   4.253
  466    HA   LYS  64           HA       LYS  64   0.208  -9.787   5.227
  467    HB2  LYS  64           HB2      LYS  64   2.262 -11.996   5.435
  468    HB3  LYS  64           HB1      LYS  64   0.541 -12.158   5.780
  469    HG2  LYS  64           HG2      LYS  64   0.001 -11.656   3.480
  470    HG3  LYS  64           HG1      LYS  64   1.702 -11.388   3.118
  471    HD2  LYS  64           HD2      LYS  64   2.124 -13.769   3.724
  472    HD3  LYS  64           HD1      LYS  64   0.375 -13.986   3.882
  473    HE2  LYS  64           HE2      LYS  64   0.112 -13.196   1.548
  474    HE3  LYS  64           HE1      LYS  64   1.867 -13.129   1.403
  475    HZ1  LYS  64           HZ1      LYS  64   1.923 -15.544   1.804
  476    HZ2  LYS  64           HZ2      LYS  64   0.967 -15.134   0.454
  477    HZ3  LYS  64           HZ3      LYS  64   0.226 -15.552   1.896
  478    H    ASN  65           HN       ASN  65   3.067  -8.780   6.538
  479    HA   ASN  65           HA       ASN  65   2.357  -9.430   9.310
  480    HB2  ASN  65           HB2      ASN  65   4.702  -7.846   8.255
  481    HB3  ASN  65           HB1      ASN  65   4.458  -8.391   9.899
  482   HD21  ASN  65          HD21      ASN  65   6.637  -8.771   8.173
  483   HD22  ASN  65          HD22      ASN  65   6.909 -10.452   7.940
  484    H    LEU  66           HN       LEU  66   2.013  -6.958   6.934
  485    HA   LEU  66           HA       LEU  66   2.158  -4.832   8.880
  486    HB2  LEU  66           HB2      LEU  66   1.631  -4.720   5.927
  487    HB3  LEU  66           HB1      LEU  66   1.862  -3.340   6.979
  488    HG   LEU  66           HG       LEU  66   3.924  -5.391   6.181
  489   HD11  LEU  66          HD11      LEU  66   3.657  -2.459   5.779
  490   HD12  LEU  66          HD12      LEU  66   3.391  -3.692   4.545
  491   HD13  LEU  66          HD13      LEU  66   5.021  -3.426   5.209
  492   HD21  LEU  66          HD21      LEU  66   4.200  -3.078   8.104
  493   HD22  LEU  66          HD22      LEU  66   5.512  -4.106   7.523
  494   HD23  LEU  66          HD23      LEU  66   4.238  -4.787   8.534
  495    H    LYS  67           HN       LYS  67   0.438  -3.193   8.862
  496    HA   LYS  67           HA       LYS  67  -2.185  -4.471   8.518
  497    HB2  LYS  67           HB2      LYS  67  -1.364  -2.918  10.965
  498    HB3  LYS  67           HB1      LYS  67  -2.925  -3.680  10.687
  499    HG2  LYS  67           HG2      LYS  67  -1.862  -5.871  10.639
  500    HG3  LYS  67           HG1      LYS  67  -0.293  -5.086  10.872
  501    HD2  LYS  67           HD2      LYS  67  -1.170  -6.029  12.992
  502    HD3  LYS  67           HD1      LYS  67  -1.066  -4.270  13.076
  503    HE2  LYS  67           HE2      LYS  67  -3.446  -4.079  12.636
  504    HE3  LYS  67           HE1      LYS  67  -3.573  -5.825  12.440
  505    HZ1  LYS  67           HZ1      LYS  67  -2.997  -6.124  14.725
  506    HZ2  LYS  67           HZ2      LYS  67  -4.302  -5.053  14.646
  507    HZ3  LYS  67           HZ3      LYS  67  -2.750  -4.478  14.974
  508    H    THR  68           HN       THR  68  -0.912  -1.273   9.536
  509    HA   THR  68           HA       THR  68  -3.121  -0.127   8.051
  510    HB   THR  68           HB       THR  68  -2.400   2.028   9.063
  511    HG1  THR  68           HG1      THR  68  -0.669   0.477  10.663
  512   HG21  THR  68          HG21      THR  68  -2.768  -0.256  11.008
  513   HG22  THR  68          HG22      THR  68  -4.065   0.625  10.201
  514   HG23  THR  68          HG23      THR  68  -3.039   1.448  11.378
  515    H    VAL  69           HN       VAL  69  -2.487   2.055   6.945
  516    HA   VAL  69           HA       VAL  69  -0.483   1.374   5.008
  517    HB   VAL  69           HB       VAL  69  -1.154   3.372   3.765
  518   HG11  VAL  69          HG11      VAL  69  -3.498   2.795   3.338
  519   HG12  VAL  69          HG12      VAL  69  -3.498   1.817   4.812
  520   HG13  VAL  69          HG13      VAL  69  -2.463   1.370   3.454
  521   HG21  VAL  69          HG21      VAL  69  -2.958   4.810   4.549
  522   HG22  VAL  69          HG22      VAL  69  -1.569   4.864   5.636
  523   HG23  VAL  69          HG23      VAL  69  -2.997   3.926   6.068
  524    H    GLY  70           HN       GLY  70  -0.656   3.150   7.884
  525    HA2  GLY  70           HA2      GLY  70   1.639   4.803   7.381
  526    HA3  GLY  70           HA1      GLY  70   0.886   4.499   8.948
  527    H    ASP  71           HN       ASP  71   0.903   1.678   8.606
  528    HA   ASP  71           HA       ASP  71   3.551   1.021   9.477
  529    HB2  ASP  71           HB2      ASP  71   1.511  -0.021  10.382
  530    HB3  ASP  71           HB1      ASP  71   1.158  -0.687   8.801
  531    H    ALA  72           HN       ALA  72   1.697   0.883   6.576
  532    HA   ALA  72           HA       ALA  72   3.398  -0.833   5.060
  533    HB1  ALA  72           HB1      ALA  72   1.346   1.165   4.113
  534    HB2  ALA  72           HB2      ALA  72   1.039  -0.531   4.492
  535    HB3  ALA  72           HB3      ALA  72   2.085  -0.106   3.140
  536    H    THR  73           HN       THR  73   2.905   2.733   5.142
  537    HA   THR  73           HA       THR  73   4.791   3.360   3.273
  538    HB   THR  73           HB       THR  73   4.955   5.560   4.628
  539    HG1  THR  73           HG1      THR  73   4.153   5.290   6.547
  540   HG21  THR  73          HG21      THR  73   2.778   6.317   3.803
  541   HG22  THR  73          HG22      THR  73   2.283   4.642   3.543
  542   HG23  THR  73          HG23      THR  73   3.611   5.334   2.605
  543    H    LYS  74           HN       LYS  74   5.126   2.719   6.678
  544    HA   LYS  74           HA       LYS  74   7.685   3.582   7.190
  545    HB2  LYS  74           HB2      LYS  74   6.289   2.859   8.964
  546    HB3  LYS  74           HB1      LYS  74   6.122   1.255   8.281
  547    HG2  LYS  74           HG2      LYS  74   8.345   0.674   8.908
  548    HG3  LYS  74           HG1      LYS  74   8.722   2.344   9.333
  549    HD2  LYS  74           HD2      LYS  74   8.288   0.889  11.308
  550    HD3  LYS  74           HD1      LYS  74   7.212   2.277  11.201
  551    HE2  LYS  74           HE2      LYS  74   5.979   0.290  11.864
  552    HE3  LYS  74           HE1      LYS  74   5.456   0.838  10.278
  553    HZ1  LYS  74           HZ1      LYS  74   5.651  -1.517  10.369
  554    HZ2  LYS  74           HZ2      LYS  74   7.314  -1.445  10.782
  555    HZ3  LYS  74           HZ3      LYS  74   6.790  -0.952   9.275
  556    H    TYR  75           HN       TYR  75   6.767   0.611   5.550
  557    HA   TYR  75           HA       TYR  75   9.450  -0.443   5.418
  558    HB2  TYR  75           HB2      TYR  75   7.438  -1.905   5.304
  559    HB3  TYR  75           HB1      TYR  75   6.972  -1.132   3.799
  560    HD1  TYR  75           HD2      TYR  75   8.196  -1.622   1.729
  561    HD2  TYR  75           HD1      TYR  75   9.202  -3.575   5.368
  562    HE1  TYR  75           HE2      TYR  75   9.491  -3.288   0.472
  563    HE2  TYR  75           HE1      TYR  75  10.493  -5.248   4.116
  564    HH   TYR  75           HH       TYR  75  10.627  -6.172   1.917
  565    H    ILE  76           HN       ILE  76   7.211   0.958   3.148
  566    HA   ILE  76           HA       ILE  76   8.663   1.079   0.784
  567    HB   ILE  76           HB       ILE  76   6.573   2.932   1.896
  568   HG12  ILE  76          HG12      ILE  76   6.280   0.583   0.031
  569   HG13  ILE  76          HG11      ILE  76   5.976   0.526   1.767
  570   HG21  ILE  76          HG21      ILE  76   6.082   3.482  -0.433
  571   HG22  ILE  76          HG22      ILE  76   7.548   2.603  -0.929
  572   HG23  ILE  76          HG23      ILE  76   7.662   4.024   0.137
  573   HD11  ILE  76          HD11      ILE  76   3.911   0.782   0.533
  574   HD12  ILE  76          HD12      ILE  76   4.568   2.255  -0.219
  575   HD13  ILE  76          HD13      ILE  76   4.281   2.208   1.521
  576    H    LEU  77           HN       LEU  77   8.314   3.458   3.323
  577    HA   LEU  77           HA       LEU  77   9.426   5.779   2.387
  578    HB2  LEU  77           HB2      LEU  77   8.153   5.194   4.410
  579    HB3  LEU  77           HB1      LEU  77   9.687   4.676   5.099
  580    HG   LEU  77           HG       LEU  77  10.469   7.092   4.711
  581   HD11  LEU  77          HD11      LEU  77   8.698   8.770   4.633
  582   HD12  LEU  77          HD12      LEU  77   7.492   7.493   4.479
  583   HD13  LEU  77          HD13      LEU  77   8.677   7.747   3.196
  584   HD21  LEU  77          HD21      LEU  77   8.271   6.548   6.701
  585   HD22  LEU  77          HD22      LEU  77   9.447   7.858   6.799
  586   HD23  LEU  77          HD23      LEU  77   9.982   6.178   6.917
  587    H    ASP  78           HN       ASP  78  10.996   2.892   3.367
  588    HA   ASP  78           HA       ASP  78  13.533   3.989   4.108
  589    HB2  ASP  78           HB2      ASP  78  12.875   1.736   4.822
  590    HB3  ASP  78           HB1      ASP  78  12.887   1.193   3.149
  591    H    HIS  79           HN       HIS  79  12.230   2.735   1.120
  592    HA   HIS  79           HA       HIS  79  14.726   3.514  -0.207
  593    HB2  HIS  79           HB2      HIS  79  14.111   1.189  -0.599
  594    HB3  HIS  79           HB1      HIS  79  12.543   1.689  -1.223
  595    HD1  HIS  79           HD1      HIS  79  16.230   2.144  -2.092
  596    HD2  HIS  79           HD2      HIS  79  12.495   2.001  -3.883
  597    HE1  HIS  79           HE1      HIS  79  16.648   2.328  -4.566
  598    HE2  HIS  79           HE2      HIS  79  14.326   2.363  -5.603
  599    H    GLN  80           HN       GLN  80  11.214   3.656  -0.773
  600    HA   GLN  80           HA       GLN  80   9.868   5.021  -1.911
  601    HB2  GLN  80           HB2      GLN  80  12.019   7.057  -1.394
  602    HB3  GLN  80           HB1      GLN  80  10.394   7.421  -1.954
  603    HG2  GLN  80           HG2      GLN  80   9.489   6.495   0.103
  604    HG3  GLN  80           HG1      GLN  80  11.122   6.131   0.645
  605   HE21  GLN  80          HE21      GLN  80   9.087   7.926   1.732
  606   HE22  GLN  80          HE22      GLN  80   9.865   9.453   1.909
  607    H    ALA  81           HN       ALA  81   9.948   6.919  -3.740
  608    HA   ALA  81           HA       ALA  81  11.755   6.074  -5.841
  609    HB1  ALA  81           HB1      ALA  81   9.601   4.962  -6.232
  610    HB2  ALA  81           HB2      ALA  81   9.878   6.230  -7.426
  611    HB3  ALA  81           HB3      ALA  81   8.773   6.513  -6.083
  612    H28  SXO 101          H28B      SXO 101  -5.330 -11.062   4.344
  613   H28A  SXO 101          H28A      SXO 101  -5.135 -11.343   2.606
  614    H30  SXO 101          H30A      SXO 101  -5.049 -12.640   5.835
  615   H30A  SXO 101          H30C      SXO 101  -6.330 -13.591   5.080
  616   H30B  SXO 101          H30B      SXO 101  -4.768 -14.372   5.483
  617    H31  SXO 101          H31A      SXO 101  -6.091 -14.294   2.792
  618   H31A  SXO 101          H31B      SXO 101  -4.481 -14.996   3.024
  619   H31B  SXO 101          H31C      SXO 101  -4.730 -13.711   1.832
  620    H32  SXO 101          H32A      SXO 101  -3.011 -12.145   4.827
  621   HO33  SXO 101          H33A      SXO 101  -2.153 -14.206   3.322
  622   HN36  SXO 101          H36A      SXO 101  -3.031 -10.460   3.375
  623    H37  SXO 101          H37A      SXO 101  -1.076 -10.690   1.283
  624   H37A  SXO 101          H37B      SXO 101  -2.685 -10.213   0.729
  625    H38  SXO 101          H38B      SXO 101  -1.219  -8.290   1.156
  626   H38A  SXO 101          H38A      SXO 101  -1.048  -8.799   2.830
  627   HN41  SXO 101          H41A      SXO 101  -2.734  -8.490   4.269
  628    H42  SXO 101          H42A      SXO 101  -4.471  -6.350   3.714
  629   H42A  SXO 101          H42B      SXO 101  -5.347  -7.863   3.854
  630    H43  SXO 101          H43B      SXO 101  -5.193  -6.632   5.984
  631   H43A  SXO 101          H43A      SXO 101  -4.385  -8.225   6.017
  632    H2   SXO 101           H2A      SXO 101  -1.087  -4.552   6.062
  633    H2A  SXO 101           H2B      SXO 101  -1.950  -3.073   5.634
  634    H3   SXO 101           H3B      SXO 101  -0.725  -5.086   3.744
  635    H3A  SXO 101           H3A      SXO 101  -1.622  -3.642   3.250
  636    H4   SXO 101           H4A      SXO 101   0.850  -3.612   4.984
  637    H4A  SXO 101           H4B      SXO 101  -0.008  -2.213   4.353
  638    H5   SXO 101           H5B      SXO 101   2.081  -2.723   3.122
  639    H5A  SXO 101           H5A      SXO 101   1.381  -4.263   2.635
  640    H6   SXO 101           H6A      SXO 101   0.258  -1.535   1.985
  641    H6A  SXO 101           H6B      SXO 101  -0.407  -3.081   1.464
  642    H7   SXO 101           H7A      SXO 101   0.890  -2.057  -0.343
  643    H7A  SXO 101           H7B      SXO 101   1.675  -3.545   0.216
  644    H8   SXO 101           H8C      SXO 101   2.409  -0.732   1.025
  645    H8A  SXO 101           H8A      SXO 101   3.298  -1.744  -0.113
  646    H8B  SXO 101           H8B      SXO 101   3.199  -2.205   1.588
  Start of MODEL   11
    1    H1   ALA   1           HT1      ALA   1  12.932   8.582  -5.862
    2    H2   ALA   1           HT2      ALA   1  13.359   6.948  -5.972
    3    H3   ALA   1           HT3      ALA   1  13.578   7.760  -4.511
    4    HA   ALA   1           HA       ALA   1  11.047   7.065  -5.873
    5    HB1  ALA   1           HB1      ALA   1  12.194   6.199  -3.228
    6    HB2  ALA   1           HB2      ALA   1  12.149   5.231  -4.702
    7    HB3  ALA   1           HB3      ALA   1  10.646   5.696  -3.905
    8    H    ALA   2           HN       ALA   2   9.136   7.639  -4.720
    9    HA   ALA   2           HA       ALA   2   9.166  10.367  -3.712
   10    HB1  ALA   2           HB1      ALA   2   6.875   8.437  -4.071
   11    HB2  ALA   2           HB2      ALA   2   7.468   9.548  -5.305
   12    HB3  ALA   2           HB3      ALA   2   6.759  10.181  -3.824
   13    H    THR   3           HN       THR   3   7.834  10.928  -1.712
   14    HA   THR   3           HA       THR   3   8.804   9.048   0.272
   15    HB   THR   3           HB       THR   3   8.071  11.700   1.258
   16    HG1  THR   3           HG1      THR   3   8.728  12.387  -0.685
   17   HG21  THR   3          HG21      THR   3   9.410  10.054   2.516
   18   HG22  THR   3          HG22      THR   3  10.337  11.530   2.226
   19   HG23  THR   3          HG23      THR   3  10.629  10.091   1.242
   20    H    GLN   4           HN       GLN   4   7.427   9.854   2.538
   21    HA   GLN   4           HA       GLN   4   5.506   7.934   2.612
   22    HB2  GLN   4           HB2      GLN   4   6.491   8.920   4.609
   23    HB3  GLN   4           HB1      GLN   4   5.554  10.388   4.353
   24    HG2  GLN   4           HG2      GLN   4   3.484   9.111   4.621
   25    HG3  GLN   4           HG1      GLN   4   4.428   7.649   4.892
   26   HE21  GLN   4          HE21      GLN   4   3.369  10.660   6.189
   27   HE22  GLN   4          HE22      GLN   4   3.854  10.373   7.817
   28    H    GLU   5           HN       GLU   5   4.742  11.405   2.259
   29    HA   GLU   5           HA       GLU   5   1.941  10.940   2.260
   30    HB2  GLU   5           HB2      GLU   5   3.422  13.303   1.112
   31    HB3  GLU   5           HB1      GLU   5   1.721  13.247   1.549
   32    HG2  GLU   5           HG2      GLU   5   4.081  13.099   3.401
   33    HG3  GLU   5           HG1      GLU   5   2.936  14.425   3.229
   34    H    GLU   6           HN       GLU   6   4.314  11.379  -0.254
   35    HA   GLU   6           HA       GLU   6   2.570  11.240  -2.453
   36    HB2  GLU   6           HB2      GLU   6   5.470  10.405  -2.342
   37    HB3  GLU   6           HB1      GLU   6   4.555  10.715  -3.804
   38    HG2  GLU   6           HG2      GLU   6   5.873  12.606  -3.533
   39    HG3  GLU   6           HG1      GLU   6   4.309  13.103  -2.903
   40    H    ILE   7           HN       ILE   7   4.228   8.816  -0.551
   41    HA   ILE   7           HA       ILE   7   3.728   6.594  -2.129
   42    HB   ILE   7           HB       ILE   7   3.882   6.694   0.906
   43   HG12  ILE   7          HG12      ILE   7   5.931   7.481  -0.125
   44   HG13  ILE   7          HG11      ILE   7   6.200   5.885   0.568
   45   HG21  ILE   7          HG21      ILE   7   2.774   4.654   0.181
   46   HG22  ILE   7          HG22      ILE   7   4.384   4.290   0.802
   47   HG23  ILE   7          HG23      ILE   7   4.095   4.314  -0.939
   48   HD11  ILE   7          HD11      ILE   7   5.729   6.494  -2.339
   49   HD12  ILE   7          HD12      ILE   7   6.025   4.897  -1.648
   50   HD13  ILE   7          HD13      ILE   7   7.283   6.130  -1.590
   51    H    VAL   8           HN       VAL   8   1.958   7.780   0.721
   52    HA   VAL   8           HA       VAL   8  -0.268   6.127   0.714
   53    HB   VAL   8           HB       VAL   8  -0.032   9.053   1.530
   54   HG11  VAL   8          HG11      VAL   8  -2.383   8.494   1.139
   55   HG12  VAL   8          HG12      VAL   8  -2.057   8.698   2.860
   56   HG13  VAL   8          HG13      VAL   8  -2.223   7.078   2.178
   57   HG21  VAL   8          HG21      VAL   8  -0.014   6.510   3.129
   58   HG22  VAL   8          HG22      VAL   8   0.104   8.139   3.787
   59   HG23  VAL   8          HG23      VAL   8   1.401   7.502   2.763
   60    H    ALA   9           HN       ALA   9   0.077   9.281  -0.885
   61    HA   ALA   9           HA       ALA   9  -2.431   9.373  -2.120
   62    HB1  ALA   9           HB1      ALA   9   0.155  10.586  -3.051
   63    HB2  ALA   9           HB2      ALA   9  -0.956  11.302  -1.882
   64    HB3  ALA   9           HB3      ALA   9  -1.460  11.076  -3.562
   65    H    GLY  10           HN       GLY  10   0.544   7.825  -3.102
   66    HA2  GLY  10           HA2      GLY  10  -0.338   7.227  -5.769
   67    HA3  GLY  10           HA1      GLY  10   1.096   6.578  -4.977
   68    H    LEU  11           HN       LEU  11  -0.133   5.490  -2.708
   69    HA   LEU  11           HA       LEU  11  -0.762   2.900  -3.501
   70    HB2  LEU  11           HB2      LEU  11  -1.557   4.331  -0.963
   71    HB3  LEU  11           HB1      LEU  11  -1.711   2.607  -1.207
   72    HG   LEU  11           HG       LEU  11   0.902   4.103  -1.249
   73   HD11  LEU  11          HD11      LEU  11  -0.110   4.205   0.963
   74   HD12  LEU  11          HD12      LEU  11   1.270   3.106   0.973
   75   HD13  LEU  11          HD13      LEU  11  -0.372   2.464   0.945
   76   HD21  LEU  11          HD21      LEU  11   0.935   2.022  -2.529
   77   HD22  LEU  11          HD22      LEU  11   0.277   1.149  -1.146
   78   HD23  LEU  11          HD23      LEU  11   1.886   1.863  -1.053
   79    H    ALA  12           HN       ALA  12  -2.903   5.524  -2.591
   80    HA   ALA  12           HA       ALA  12  -5.298   4.087  -2.889
   81    HB1  ALA  12           HB1      ALA  12  -5.116   6.148  -1.614
   82    HB2  ALA  12           HB2      ALA  12  -6.413   6.144  -2.810
   83    HB3  ALA  12           HB3      ALA  12  -4.924   7.052  -3.131
   84    H    GLU  13           HN       GLU  13  -3.233   5.557  -5.252
   85    HA   GLU  13           HA       GLU  13  -5.195   5.838  -7.295
   86    HB2  GLU  13           HB2      GLU  13  -2.203   5.512  -7.455
   87    HB3  GLU  13           HB1      GLU  13  -3.228   5.786  -8.855
   88    HG2  GLU  13           HG2      GLU  13  -2.930   7.641  -6.513
   89    HG3  GLU  13           HG1      GLU  13  -2.147   7.824  -8.083
   90    H    ILE  14           HN       ILE  14  -2.980   3.256  -6.412
   91    HA   ILE  14           HA       ILE  14  -3.994   1.613  -8.511
   92    HB   ILE  14           HB       ILE  14  -2.380   0.702  -6.077
   93   HG12  ILE  14          HG12      ILE  14  -0.559   0.373  -7.906
   94   HG13  ILE  14          HG11      ILE  14  -1.522   1.475  -8.871
   95   HG21  ILE  14          HG21      ILE  14  -3.683  -1.089  -7.027
   96   HG22  ILE  14          HG22      ILE  14  -1.965  -1.342  -7.374
   97   HG23  ILE  14          HG23      ILE  14  -3.048  -0.728  -8.631
   98   HD11  ILE  14          HD11      ILE  14  -1.222   3.198  -7.132
   99   HD12  ILE  14          HD12      ILE  14   0.304   2.627  -7.814
  100   HD13  ILE  14          HD13      ILE  14  -0.210   2.064  -6.230
  101    H    VAL  15           HN       VAL  15  -4.630   1.987  -5.059
  102    HA   VAL  15           HA       VAL  15  -6.441  -0.159  -5.001
  103    HB   VAL  15           HB       VAL  15  -6.413   2.202  -3.064
  104   HG11  VAL  15          HG11      VAL  15  -8.493   0.924  -2.983
  105   HG12  VAL  15          HG12      VAL  15  -7.535   0.695  -1.522
  106   HG13  VAL  15          HG13      VAL  15  -7.569  -0.561  -2.762
  107   HG21  VAL  15          HG21      VAL  15  -4.265   1.024  -3.064
  108   HG22  VAL  15          HG22      VAL  15  -5.124  -0.507  -2.838
  109   HG23  VAL  15          HG23      VAL  15  -5.182   0.720  -1.581
  110    H    ASN  16           HN       ASN  16  -6.791   3.059  -6.127
  111    HA   ASN  16           HA       ASN  16  -9.626   3.142  -6.202
  112    HB2  ASN  16           HB2      ASN  16  -8.414   5.224  -6.340
  113    HB3  ASN  16           HB1      ASN  16  -7.551   4.686  -7.773
  114   HD21  ASN  16          HD21      ASN  16 -10.608   5.845  -6.521
  115   HD22  ASN  16          HD22      ASN  16 -11.298   6.227  -8.051
  116    H    GLU  17           HN       GLU  17  -7.174   2.281  -8.622
  117    HA   GLU  17           HA       GLU  17  -9.130   1.735 -10.607
  118    HB2  GLU  17           HB2      GLU  17  -7.302   0.682 -11.911
  119    HB3  GLU  17           HB1      GLU  17  -6.902   2.288 -11.340
  120    HG2  GLU  17           HG2      GLU  17  -5.521   1.323  -9.574
  121    HG3  GLU  17           HG1      GLU  17  -5.955  -0.295 -10.122
  122    H    ILE  18           HN       ILE  18  -7.879  -0.076  -8.033
  123    HA   ILE  18           HA       ILE  18  -8.814  -2.607  -9.085
  124    HB   ILE  18           HB       ILE  18  -7.515  -1.838  -6.466
  125   HG12  ILE  18          HG12      ILE  18  -6.009  -1.738  -8.370
  126   HG13  ILE  18          HG11      ILE  18  -5.582  -3.094  -7.337
  127   HG21  ILE  18          HG21      ILE  18  -8.966  -3.724  -6.033
  128   HG22  ILE  18          HG22      ILE  18  -7.273  -4.222  -5.987
  129   HG23  ILE  18          HG23      ILE  18  -8.263  -4.600  -7.395
  130   HD11  ILE  18          HD11      ILE  18  -7.106  -3.250  -9.931
  131   HD12  ILE  18          HD12      ILE  18  -6.691  -4.617  -8.896
  132   HD13  ILE  18          HD13      ILE  18  -5.413  -3.689  -9.686
  133    H    ALA  19           HN       ALA  19  -9.657  -0.523  -6.242
  134    HA   ALA  19           HA       ALA  19 -12.067  -2.190  -5.951
  135    HB1  ALA  19           HB1      ALA  19 -10.486  -2.312  -4.110
  136    HB2  ALA  19           HB2      ALA  19 -12.051  -1.661  -3.614
  137    HB3  ALA  19           HB3      ALA  19 -10.675  -0.581  -3.841
  138    H    GLY  20           HN       GLY  20 -11.236   0.866  -6.992
  139    HA2  GLY  20           HA2      GLY  20 -12.495   2.699  -7.446
  140    HA3  GLY  20           HA1      GLY  20 -13.909   1.742  -7.034
  141    H    ILE  21           HN       ILE  21 -11.179   2.711  -5.004
  142    HA   ILE  21           HA       ILE  21 -13.129   3.874  -3.180
  143    HB   ILE  21           HB       ILE  21 -11.175   4.097  -1.573
  144   HG12  ILE  21          HG12      ILE  21  -9.301   2.413  -1.958
  145   HG13  ILE  21          HG11      ILE  21  -9.803   2.369  -3.639
  146   HG21  ILE  21          HG21      ILE  21 -11.232   1.781  -0.869
  147   HG22  ILE  21          HG22      ILE  21 -12.009   1.342  -2.397
  148   HG23  ILE  21          HG23      ILE  21 -12.822   2.428  -1.265
  149   HD11  ILE  21          HD11      ILE  21  -8.738   4.763  -2.143
  150   HD12  ILE  21          HD12      ILE  21  -9.270   4.760  -3.826
  151   HD13  ILE  21          HD13      ILE  21  -7.880   3.793  -3.345
  152    HA   PRO  22           HA       PRO  22 -11.974   8.056  -4.040
  153    HB2  PRO  22           HB2      PRO  22 -12.085   8.598  -1.131
  154    HB3  PRO  22           HB1      PRO  22 -13.074   9.285  -2.423
  155    HG2  PRO  22           HG2      PRO  22 -14.089   7.544  -0.656
  156    HG3  PRO  22           HG1      PRO  22 -14.604   7.554  -2.352
  157    HD2  PRO  22           HD2      PRO  22 -12.690   5.724  -0.961
  158    HD3  PRO  22           HD1      PRO  22 -13.942   5.344  -2.163
  159    H    VAL  23           HN       VAL  23  -9.989   9.105  -4.097
  160    HA   VAL  23           HA       VAL  23  -7.860   7.621  -2.810
  161    HB   VAL  23           HB       VAL  23  -6.291   8.884  -4.237
  162   HG11  VAL  23          HG11      VAL  23  -8.642   7.624  -5.619
  163   HG12  VAL  23          HG12      VAL  23  -7.260   6.782  -4.934
  164   HG13  VAL  23          HG13      VAL  23  -7.041   7.841  -6.338
  165   HG21  VAL  23          HG21      VAL  23  -7.565  10.982  -4.445
  166   HG22  VAL  23          HG22      VAL  23  -8.806  10.138  -5.370
  167   HG23  VAL  23          HG23      VAL  23  -7.181  10.313  -6.032
  168    H    GLU  24           HN       GLU  24  -9.651   9.719  -1.696
  169    HA   GLU  24           HA       GLU  24  -7.590  11.187  -0.218
  170    HB2  GLU  24           HB2      GLU  24  -9.398  12.769   0.295
  171    HB3  GLU  24           HB1      GLU  24  -9.128  12.608  -1.437
  172    HG2  GLU  24           HG2      GLU  24 -11.046  10.965  -1.448
  173    HG3  GLU  24           HG1      GLU  24 -11.381  11.494   0.202
  174    H    ASP  25           HN       ASP  25  -9.509   8.530  -0.156
  175    HA   ASP  25           HA       ASP  25 -10.546   8.654   2.531
  176    HB2  ASP  25           HB2      ASP  25 -11.617   7.363   0.613
  177    HB3  ASP  25           HB1      ASP  25 -10.241   6.299   0.663
  178    H    VAL  26           HN       VAL  26  -7.983   7.133   0.746
  179    HA   VAL  26           HA       VAL  26  -6.849   5.660   2.938
  180    HB   VAL  26           HB       VAL  26  -5.620   6.359   0.257
  181   HG11  VAL  26          HG11      VAL  26  -4.249   4.357   0.616
  182   HG12  VAL  26          HG12      VAL  26  -4.987   4.145   2.204
  183   HG13  VAL  26          HG13      VAL  26  -3.993   5.563   1.877
  184   HG21  VAL  26          HG21      VAL  26  -6.413   4.164  -0.515
  185   HG22  VAL  26          HG22      VAL  26  -7.750   5.235  -0.089
  186   HG23  VAL  26          HG23      VAL  26  -7.271   3.946   1.011
  187    H    LYS  27           HN       LYS  27  -6.586   7.272   4.472
  188    HA   LYS  27           HA       LYS  27  -4.163   8.845   4.024
  189    HB2  LYS  27           HB2      LYS  27  -6.437   9.407   5.956
  190    HB3  LYS  27           HB1      LYS  27  -4.915  10.293   5.952
  191    HG2  LYS  27           HG2      LYS  27  -6.906  10.170   3.689
  192    HG3  LYS  27           HG1      LYS  27  -6.598  11.552   4.749
  193    HD2  LYS  27           HD2      LYS  27  -4.353  11.770   3.914
  194    HD3  LYS  27           HD1      LYS  27  -4.503  10.276   2.994
  195    HE2  LYS  27           HE2      LYS  27  -4.694  12.165   1.516
  196    HE3  LYS  27           HE1      LYS  27  -6.242  11.331   1.618
  197    HZ1  LYS  27           HZ1      LYS  27  -6.413  13.757   1.683
  198    HZ2  LYS  27           HZ2      LYS  27  -5.570  13.803   3.144
  199    HZ3  LYS  27           HZ3      LYS  27  -7.078  13.070   3.056
  200    H    LEU  28           HN       LEU  28  -3.174   9.261   6.478
  201    HA   LEU  28           HA       LEU  28  -1.707   6.970   6.777
  202    HB2  LEU  28           HB2      LEU  28  -2.018   9.289   8.642
  203    HB3  LEU  28           HB1      LEU  28  -0.963   7.952   9.019
  204    HG   LEU  28           HG       LEU  28   0.374   9.690   8.157
  205   HD11  LEU  28          HD11      LEU  28   0.011   7.623   6.019
  206   HD12  LEU  28          HD12      LEU  28   1.048   7.516   7.442
  207   HD13  LEU  28          HD13      LEU  28   1.398   8.701   6.182
  208   HD21  LEU  28          HD21      LEU  28  -1.313  11.020   7.017
  209   HD22  LEU  28          HD22      LEU  28  -1.440   9.800   5.748
  210   HD23  LEU  28          HD23      LEU  28   0.056  10.712   5.947
  211    H    ASP  29           HN       ASP  29  -4.641   7.648   8.548
  212    HA   ASP  29           HA       ASP  29  -4.066   5.484  10.410
  213    HB2  ASP  29           HB2      ASP  29  -6.302   7.472  10.260
  214    HB3  ASP  29           HB1      ASP  29  -6.391   6.070  11.319
  215    H    LYS  30           HN       LYS  30  -4.911   5.259   7.424
  216    HA   LYS  30           HA       LYS  30  -7.140   3.411   7.728
  217    HB2  LYS  30           HB2      LYS  30  -5.698   4.563   5.351
  218    HB3  LYS  30           HB1      LYS  30  -6.906   3.296   5.205
  219    HG2  LYS  30           HG2      LYS  30  -7.598   5.804   6.659
  220    HG3  LYS  30           HG1      LYS  30  -7.558   5.802   4.894
  221    HD2  LYS  30           HD2      LYS  30  -9.138   3.956   4.843
  222    HD3  LYS  30           HD1      LYS  30  -9.141   3.892   6.604
  223    HE2  LYS  30           HE2      LYS  30 -10.291   5.919   6.785
  224    HE3  LYS  30           HE1      LYS  30  -9.906   6.377   5.122
  225    HZ1  LYS  30           HZ1      LYS  30 -12.246   5.605   5.502
  226    HZ2  LYS  30           HZ2      LYS  30 -11.661   4.018   5.690
  227    HZ3  LYS  30           HZ3      LYS  30 -11.390   4.886   4.276
  228    H    SER  31           HN       SER  31  -6.916   1.250   7.695
  229    HA   SER  31           HA       SER  31  -4.397   0.071   6.849
  230    HB2  SER  31           HB2      SER  31  -4.822  -0.471   9.115
  231    HB3  SER  31           HB1      SER  31  -6.522  -0.902   8.821
  232    HG   SER  31           HG       SER  31  -5.775  -2.870   8.457
  233    H    PHE  32           HN       PHE  32  -4.705  -1.983   5.580
  234    HA   PHE  32           HA       PHE  32  -6.339  -1.088   3.436
  235    HB2  PHE  32           HB2      PHE  32  -4.485  -3.413   3.698
  236    HB3  PHE  32           HB1      PHE  32  -5.452  -3.138   2.255
  237    HD1  PHE  32           HD1      PHE  32  -2.827  -1.647   4.402
  238    HD2  PHE  32           HD2      PHE  32  -4.793  -1.582   0.632
  239    HE1  PHE  32           HE1      PHE  32  -1.086  -0.153   3.525
  240    HE2  PHE  32           HE2      PHE  32  -3.056  -0.082  -0.253
  241    HZ   PHE  32           HZ       PHE  32  -1.197   0.628   1.193
  242    H    THR  33           HN       THR  33  -6.759  -3.691   5.697
  243    HA   THR  33           HA       THR  33  -9.211  -4.152   4.213
  244    HB   THR  33           HB       THR  33  -7.702  -5.918   3.709
  245    HG1  THR  33           HG1      THR  33  -8.764  -7.759   4.857
  246   HG21  THR  33          HG21      THR  33  -7.366  -6.364   6.672
  247   HG22  THR  33          HG22      THR  33  -6.155  -5.746   5.547
  248   HG23  THR  33          HG23      THR  33  -6.713  -7.415   5.412
  249    H    ASP  34           HN       ASP  34  -8.797  -2.474   6.294
  250    HA   ASP  34           HA       ASP  34 -10.547  -3.605   8.370
  251    HB2  ASP  34           HB2      ASP  34  -8.167  -1.810   8.930
  252    HB3  ASP  34           HB1      ASP  34  -9.291  -2.432  10.120
  253    H    ASP  35           HN       ASP  35  -8.863  -0.620   7.538
  254    HA   ASP  35           HA       ASP  35 -11.262   0.948   8.057
  255    HB2  ASP  35           HB2      ASP  35  -8.535   1.813   7.167
  256    HB3  ASP  35           HB1      ASP  35  -9.828   2.872   7.578
  257    H    LEU  36           HN       LEU  36  -9.560  -0.412   5.413
  258    HA   LEU  36           HA       LEU  36 -10.769   1.461   3.613
  259    HB2  LEU  36           HB2      LEU  36  -8.753  -0.720   3.159
  260    HB3  LEU  36           HB1      LEU  36  -9.476   0.204   1.864
  261    HG   LEU  36           HG       LEU  36  -7.758   1.309   4.073
  262   HD11  LEU  36          HD11      LEU  36  -6.543   0.056   2.251
  263   HD12  LEU  36          HD12      LEU  36  -6.183   1.778   2.256
  264   HD13  LEU  36          HD13      LEU  36  -7.314   1.121   1.079
  265   HD21  LEU  36          HD21      LEU  36  -7.942   3.413   2.842
  266   HD22  LEU  36          HD22      LEU  36  -9.499   2.830   3.455
  267   HD23  LEU  36          HD23      LEU  36  -9.098   2.634   1.749
  268    H    ASP  37           HN       ASP  37 -11.842   0.781   1.833
  269    HA   ASP  37           HA       ASP  37 -13.955  -1.157   2.584
  270    HB2  ASP  37           HB2      ASP  37 -13.971   1.126   0.593
  271    HB3  ASP  37           HB1      ASP  37 -15.327   0.052   0.884
  272    H    VAL  38           HN       VAL  38 -11.551  -2.158   1.490
  273    HA   VAL  38           HA       VAL  38 -12.260  -2.672  -1.260
  274    HB   VAL  38           HB       VAL  38  -9.963  -3.211  -1.592
  275   HG11  VAL  38          HG11      VAL  38 -10.231  -0.674   0.004
  276   HG12  VAL  38          HG12      VAL  38 -10.546  -0.868  -1.722
  277   HG13  VAL  38          HG13      VAL  38  -8.907  -1.054  -1.097
  278   HG21  VAL  38          HG21      VAL  38  -9.443  -4.289   0.525
  279   HG22  VAL  38          HG22      VAL  38  -9.547  -2.737   1.358
  280   HG23  VAL  38          HG23      VAL  38  -8.265  -3.022   0.178
  281    H    ASP  39           HN       ASP  39 -11.012  -4.881  -1.776
  282    HA   ASP  39           HA       ASP  39 -11.769  -6.923   0.180
  283    HB2  ASP  39           HB2      ASP  39 -11.485  -7.051  -2.846
  284    HB3  ASP  39           HB1      ASP  39 -11.608  -8.475  -1.827
  285    H    SER  40           HN       SER  40 -10.028  -7.673   1.152
  286    HA   SER  40           HA       SER  40  -7.483  -6.743   0.622
  287    HB2  SER  40           HB2      SER  40  -6.769  -8.537   2.204
  288    HB3  SER  40           HB1      SER  40  -8.099  -7.458   2.701
  289    H    LEU  41           HN       LEU  41  -9.048  -9.583  -0.555
  290    HA   LEU  41           HA       LEU  41  -6.790 -10.953  -1.527
  291    HB2  LEU  41           HB2      LEU  41  -9.640 -11.006  -2.548
  292    HB3  LEU  41           HB1      LEU  41  -8.385 -12.057  -3.154
  293    HG   LEU  41           HG       LEU  41  -8.198 -13.064  -0.866
  294   HD11  LEU  41          HD11      LEU  41 -10.067 -12.759   0.693
  295   HD12  LEU  41          HD12      LEU  41 -10.634 -11.394  -0.268
  296   HD13  LEU  41          HD13      LEU  41  -9.059 -11.331   0.539
  297   HD21  LEU  41          HD21      LEU  41  -9.485 -14.138  -2.600
  298   HD22  LEU  41          HD22      LEU  41 -10.904 -13.186  -2.160
  299   HD23  LEU  41          HD23      LEU  41 -10.248 -14.367  -1.026
  300    H    SER  42           HN       SER  42  -8.389  -8.155  -2.647
  301    HA   SER  42           HA       SER  42  -7.422  -8.172  -5.359
  302    HB2  SER  42           HB2      SER  42  -8.673  -6.114  -3.622
  303    HB3  SER  42           HB1      SER  42  -8.482  -5.957  -5.385
  304    HG   SER  42           HG       SER  42  -9.775  -8.257  -4.500
  305    H    MET  43           HN       MET  43  -6.208  -7.235  -2.232
  306    HA   MET  43           HA       MET  43  -4.761  -4.933  -3.059
  307    HB2  MET  43           HB2      MET  43  -5.404  -5.418  -0.657
  308    HB3  MET  43           HB1      MET  43  -4.102  -6.607  -0.632
  309    HG2  MET  43           HG2      MET  43  -2.573  -4.724  -1.386
  310    HG3  MET  43           HG1      MET  43  -3.892  -3.632  -0.988
  311    HE1  MET  43           HE1      MET  43  -1.533  -6.209   1.987
  312    HE2  MET  43           HE2      MET  43  -1.154  -6.042   0.271
  313    HE3  MET  43           HE3      MET  43  -2.599  -6.922   0.778
  314    H    VAL  44           HN       VAL  44  -4.210  -8.224  -3.289
  315    HA   VAL  44           HA       VAL  44  -1.423  -8.428  -3.357
  316    HB   VAL  44           HB       VAL  44  -3.404  -9.952  -5.090
  317   HG11  VAL  44          HG11      VAL  44  -1.677 -11.698  -5.186
  318   HG12  VAL  44          HG12      VAL  44  -0.578 -10.655  -4.285
  319   HG13  VAL  44          HG13      VAL  44  -1.112 -10.190  -5.902
  320   HG21  VAL  44          HG21      VAL  44  -3.939 -10.139  -2.716
  321   HG22  VAL  44          HG22      VAL  44  -2.285 -10.588  -2.352
  322   HG23  VAL  44          HG23      VAL  44  -3.298 -11.670  -3.312
  323    H    GLU  45           HN       GLU  45  -3.657  -7.692  -6.081
  324    HA   GLU  45           HA       GLU  45  -1.635  -7.129  -7.951
  325    HB2  GLU  45           HB2      GLU  45  -4.466  -6.124  -7.772
  326    HB3  GLU  45           HB1      GLU  45  -3.400  -5.732  -9.107
  327    HG2  GLU  45           HG2      GLU  45  -3.182  -8.141  -9.584
  328    HG3  GLU  45           HG1      GLU  45  -4.353  -8.464  -8.302
  329    H    VAL  46           HN       VAL  46  -2.978  -5.266  -5.410
  330    HA   VAL  46           HA       VAL  46  -2.095  -2.715  -6.290
  331    HB   VAL  46           HB       VAL  46  -2.808  -3.634  -3.485
  332   HG11  VAL  46          HG11      VAL  46  -3.099  -1.245  -2.967
  333   HG12  VAL  46          HG12      VAL  46  -2.503  -0.829  -4.572
  334   HG13  VAL  46          HG13      VAL  46  -1.434  -1.616  -3.412
  335   HG21  VAL  46          HG21      VAL  46  -4.965  -2.531  -3.912
  336   HG22  VAL  46          HG22      VAL  46  -4.667  -3.856  -5.040
  337   HG23  VAL  46          HG23      VAL  46  -4.449  -2.187  -5.563
  338    H    VAL  47           HN       VAL  47  -0.863  -4.985  -3.829
  339    HA   VAL  47           HA       VAL  47   1.364  -3.397  -3.224
  340    HB   VAL  47           HB       VAL  47   0.582  -5.095  -1.635
  341   HG11  VAL  47          HG11      VAL  47  -0.005  -6.900  -3.119
  342   HG12  VAL  47          HG12      VAL  47   1.134  -7.464  -1.893
  343   HG13  VAL  47          HG13      VAL  47   1.691  -7.142  -3.534
  344   HG21  VAL  47          HG21      VAL  47   3.446  -5.494  -2.479
  345   HG22  VAL  47          HG22      VAL  47   2.767  -5.963  -0.919
  346   HG23  VAL  47          HG23      VAL  47   2.832  -4.260  -1.376
  347    H    VAL  48           HN       VAL  48   1.032  -5.973  -5.637
  348    HA   VAL  48           HA       VAL  48   3.806  -5.915  -6.242
  349    HB   VAL  48           HB       VAL  48   2.398  -7.882  -6.830
  350   HG11  VAL  48          HG11      VAL  48   0.989  -7.881  -8.820
  351   HG12  VAL  48          HG12      VAL  48   1.217  -6.137  -8.964
  352   HG13  VAL  48          HG13      VAL  48   0.385  -6.804  -7.560
  353   HG21  VAL  48          HG21      VAL  48   3.781  -6.631  -9.197
  354   HG22  VAL  48          HG22      VAL  48   3.352  -8.336  -9.048
  355   HG23  VAL  48          HG23      VAL  48   4.530  -7.623  -7.946
  356    H    ALA  49           HN       ALA  49   1.089  -4.037  -7.294
  357    HA   ALA  49           HA       ALA  49   2.486  -2.725  -9.410
  358    HB1  ALA  49           HB1      ALA  49  -0.004  -1.881  -7.920
  359    HB2  ALA  49           HB2      ALA  49   0.034  -2.838  -9.399
  360    HB3  ALA  49           HB3      ALA  49   0.595  -1.166  -9.417
  361    H    ALA  50           HN       ALA  50   2.013  -2.263  -6.011
  362    HA   ALA  50           HA       ALA  50   2.960   0.354  -5.813
  363    HB1  ALA  50           HB1      ALA  50   1.794  -0.790  -3.969
  364    HB2  ALA  50           HB2      ALA  50   3.343  -0.137  -3.433
  365    HB3  ALA  50           HB3      ALA  50   3.176  -1.862  -3.761
  366    H    GLU  51           HN       GLU  51   4.640  -2.759  -5.753
  367    HA   GLU  51           HA       GLU  51   7.208  -1.923  -5.219
  368    HB2  GLU  51           HB2      GLU  51   6.420  -4.072  -7.184
  369    HB3  GLU  51           HB1      GLU  51   7.967  -3.911  -6.363
  370    HG2  GLU  51           HG2      GLU  51   6.720  -4.164  -4.207
  371    HG3  GLU  51           HG1      GLU  51   5.308  -4.558  -5.169
  372    H    GLU  52           HN       GLU  52   5.706  -2.277  -8.414
  373    HA   GLU  52           HA       GLU  52   7.948  -1.265  -9.817
  374    HB2  GLU  52           HB2      GLU  52   6.379  -1.129 -11.779
  375    HB3  GLU  52           HB1      GLU  52   6.486  -2.710 -11.021
  376    HG2  GLU  52           HG2      GLU  52   4.389  -2.482 -10.008
  377    HG3  GLU  52           HG1      GLU  52   4.311  -0.760 -10.331
  378    H    ARG  53           HN       ARG  53   4.937   0.264  -8.764
  379    HA   ARG  53           HA       ARG  53   5.468   2.683 -10.202
  380    HB2  ARG  53           HB2      ARG  53   3.446   2.208  -8.006
  381    HB3  ARG  53           HB1      ARG  53   3.451   3.574  -9.100
  382    HG2  ARG  53           HG2      ARG  53   3.035   0.687  -9.888
  383    HG3  ARG  53           HG1      ARG  53   1.761   1.879  -9.682
  384    HD2  ARG  53           HD2      ARG  53   2.523   3.113 -11.585
  385    HD3  ARG  53           HD1      ARG  53   3.999   2.150 -11.688
  386    HE   ARG  53           HE       ARG  53   2.678   0.265 -12.361
  387   HH11  ARG  53          HH11      ARG  53   1.017   3.402 -12.634
  388   HH12  ARG  53          HH12      ARG  53  -0.266   2.770 -13.572
  389   HH21  ARG  53          HH21      ARG  53   0.980  -0.534 -13.751
  390   HH22  ARG  53          HH22      ARG  53  -0.191   0.543 -14.345
  391    H    PHE  54           HN       PHE  54   5.980   1.649  -6.830
  392    HA   PHE  54           HA       PHE  54   6.753   4.359  -6.177
  393    HB2  PHE  54           HB2      PHE  54   6.338   1.979  -4.399
  394    HB3  PHE  54           HB1      PHE  54   6.899   3.552  -3.830
  395    HD1  PHE  54           HD2      PHE  54   5.448   5.561  -4.482
  396    HD2  PHE  54           HD1      PHE  54   4.114   1.541  -4.501
  397    HE1  PHE  54           HE2      PHE  54   3.137   6.334  -4.316
  398    HE2  PHE  54           HE1      PHE  54   1.799   2.305  -4.334
  399    HZ   PHE  54           HZ       PHE  54   1.315   4.713  -4.318
  400    H    ASP  55           HN       ASP  55   8.305   1.723  -7.353
  401    HA   ASP  55           HA       ASP  55  10.524   1.281  -7.743
  402    HB2  ASP  55           HB2      ASP  55  11.146   3.823  -6.190
  403    HB3  ASP  55           HB1      ASP  55  12.244   2.956  -7.251
  404    H    VAL  56           HN       VAL  56   9.169   0.214  -5.490
  405    HA   VAL  56           HA       VAL  56  11.470  -0.472  -3.881
  406    HB   VAL  56           HB       VAL  56  10.552   1.321  -2.597
  407   HG11  VAL  56          HG11      VAL  56   8.231   1.367  -3.435
  408   HG12  VAL  56          HG12      VAL  56   8.266   1.295  -1.668
  409   HG13  VAL  56          HG13      VAL  56   7.914  -0.157  -2.593
  410   HG21  VAL  56          HG21      VAL  56  10.031   0.174  -0.478
  411   HG22  VAL  56          HG22      VAL  56  11.405  -0.539  -1.331
  412   HG23  VAL  56          HG23      VAL  56   9.824  -1.324  -1.386
  413    H    LYS  57           HN       LYS  57  11.556  -2.559  -4.064
  414    HA   LYS  57           HA       LYS  57   9.111  -3.995  -4.428
  415    HB2  LYS  57           HB2      LYS  57  11.960  -4.920  -4.463
  416    HB3  LYS  57           HB1      LYS  57  10.625  -6.071  -4.429
  417    HG2  LYS  57           HG2      LYS  57   9.696  -4.929  -6.448
  418    HG3  LYS  57           HG1      LYS  57  11.184  -3.991  -6.527
  419    HD2  LYS  57           HD2      LYS  57  11.220  -5.917  -8.038
  420    HD3  LYS  57           HD1      LYS  57  12.477  -6.016  -6.810
  421    HE2  LYS  57           HE2      LYS  57  11.354  -8.183  -7.206
  422    HE3  LYS  57           HE1      LYS  57  11.184  -7.619  -5.550
  423    HZ1  LYS  57           HZ1      LYS  57   9.039  -7.249  -7.608
  424    HZ2  LYS  57           HZ2      LYS  57   8.901  -7.057  -5.942
  425    HZ3  LYS  57           HZ3      LYS  57   9.169  -8.582  -6.597
  426    H    ILE  58           HN       ILE  58   8.115  -5.286  -3.175
  427    HA   ILE  58           HA       ILE  58   8.855  -5.226  -0.332
  428    HB   ILE  58           HB       ILE  58   6.071  -4.696  -1.443
  429   HG12  ILE  58          HG12      ILE  58   7.950  -2.689  -0.172
  430   HG13  ILE  58          HG11      ILE  58   7.725  -2.844  -1.906
  431   HG21  ILE  58          HG21      ILE  58   6.097  -5.729   0.768
  432   HG22  ILE  58          HG22      ILE  58   5.545  -4.056   0.867
  433   HG23  ILE  58          HG23      ILE  58   7.188  -4.471   1.355
  434   HD11  ILE  58          HD11      ILE  58   6.434  -1.003  -0.995
  435   HD12  ILE  58          HD12      ILE  58   5.595  -2.115   0.092
  436   HD13  ILE  58          HD13      ILE  58   5.379  -2.251  -1.652
  437    HA   PRO  59           HA       PRO  59   8.105  -9.593  -1.411
  438    HB2  PRO  59           HB2      PRO  59   8.809  -9.826   1.467
  439    HB3  PRO  59           HB1      PRO  59   9.455 -10.707   0.079
  440    HG2  PRO  59           HG2      PRO  59  10.899  -8.820   1.241
  441    HG3  PRO  59           HG1      PRO  59  10.870  -8.969  -0.530
  442    HD2  PRO  59           HD2      PRO  59   9.422  -7.030   1.230
  443    HD3  PRO  59           HD1      PRO  59  10.256  -6.744  -0.315
  444    H    ASP  60           HN       ASP  60   6.186 -10.417  -1.426
  445    HA   ASP  60           HA       ASP  60   3.977  -9.385  -0.117
  446    HB2  ASP  60           HB2      ASP  60   2.700 -11.353  -1.003
  447    HB3  ASP  60           HB1      ASP  60   3.638 -10.478  -2.201
  448    H    ASP  61           HN       ASP  61   6.036 -11.940   0.999
  449    HA   ASP  61           HA       ASP  61   4.249 -12.955   2.964
  450    HB2  ASP  61           HB2      ASP  61   6.126 -14.320   2.382
  451    HB3  ASP  61           HB1      ASP  61   7.263 -13.043   2.799
  452    H    ASP  62           HN       ASP  62   6.563 -10.328   2.984
  453    HA   ASP  62           HA       ASP  62   6.389  -9.900   5.836
  454    HB2  ASP  62           HB2      ASP  62   8.420  -9.287   4.527
  455    HB3  ASP  62           HB1      ASP  62   7.485  -8.050   3.698
  456    H    VAL  63           HN       VAL  63   4.991  -8.656   2.970
  457    HA   VAL  63           HA       VAL  63   3.674  -6.340   3.637
  458    HB   VAL  63           HB       VAL  63   2.694  -8.611   1.880
  459   HG11  VAL  63          HG11      VAL  63   1.283  -6.960   0.766
  460   HG12  VAL  63          HG12      VAL  63   1.768  -5.744   1.950
  461   HG13  VAL  63          HG13      VAL  63   0.831  -7.148   2.461
  462   HG21  VAL  63          HG21      VAL  63   4.830  -7.705   1.202
  463   HG22  VAL  63          HG22      VAL  63   4.160  -6.074   1.229
  464   HG23  VAL  63          HG23      VAL  63   3.570  -7.254   0.055
  465    H    LYS  64           HN       LYS  64   2.512  -9.655   4.037
  466    HA   LYS  64           HA       LYS  64  -0.099  -8.990   4.884
  467    HB2  LYS  64           HB2      LYS  64   1.424 -11.552   5.300
  468    HB3  LYS  64           HB1      LYS  64  -0.311 -11.351   5.462
  469    HG2  LYS  64           HG2      LYS  64  -0.472 -10.826   3.083
  470    HG3  LYS  64           HG1      LYS  64   1.278 -11.027   2.927
  471    HD2  LYS  64           HD2      LYS  64   1.069 -13.338   3.706
  472    HD3  LYS  64           HD1      LYS  64  -0.679 -13.133   3.822
  473    HE2  LYS  64           HE2      LYS  64  -0.747 -12.685   1.394
  474    HE3  LYS  64           HE1      LYS  64   0.993 -12.983   1.315
  475    HZ1  LYS  64           HZ1      LYS  64  -1.081 -14.918   2.166
  476    HZ2  LYS  64           HZ2      LYS  64   0.572 -15.218   2.185
  477    HZ3  LYS  64           HZ3      LYS  64  -0.229 -14.998   0.712
  478    H    ASN  65           HN       ASN  65   2.798  -8.834   6.499
  479    HA   ASN  65           HA       ASN  65   1.630  -9.381   9.092
  480    HB2  ASN  65           HB2      ASN  65   4.454  -8.969   8.173
  481    HB3  ASN  65           HB1      ASN  65   4.016  -9.021   9.877
  482   HD21  ASN  65          HD21      ASN  65   3.394 -10.957  10.772
  483   HD22  ASN  65          HD22      ASN  65   3.561 -12.483   9.967
  484    H    LEU  66           HN       LEU  66   2.020  -6.808   7.051
  485    HA   LEU  66           HA       LEU  66   2.235  -4.819   9.179
  486    HB2  LEU  66           HB2      LEU  66   1.945  -4.522   6.177
  487    HB3  LEU  66           HB1      LEU  66   2.096  -3.189   7.299
  488    HG   LEU  66           HG       LEU  66   4.229  -5.271   6.814
  489   HD11  LEU  66          HD11      LEU  66   3.859  -3.875   4.849
  490   HD12  LEU  66          HD12      LEU  66   5.393  -3.477   5.629
  491   HD13  LEU  66          HD13      LEU  66   3.992  -2.426   5.846
  492   HD21  LEU  66          HD21      LEU  66   5.661  -3.718   8.054
  493   HD22  LEU  66          HD22      LEU  66   4.314  -4.276   9.049
  494   HD23  LEU  66          HD23      LEU  66   4.276  -2.664   8.336
  495    H    LYS  67           HN       LYS  67   0.486  -2.892   8.512
  496    HA   LYS  67           HA       LYS  67  -2.039  -4.051   7.897
  497    HB2  LYS  67           HB2      LYS  67  -3.106  -3.199  10.065
  498    HB3  LYS  67           HB1      LYS  67  -2.226  -4.715  10.097
  499    HG2  LYS  67           HG2      LYS  67  -0.270  -3.440  10.990
  500    HG3  LYS  67           HG1      LYS  67  -1.340  -2.045  11.134
  501    HD2  LYS  67           HD2      LYS  67  -2.824  -3.302  12.588
  502    HD3  LYS  67           HD1      LYS  67  -1.797  -4.727  12.427
  503    HE2  LYS  67           HE2      LYS  67   0.060  -3.466  13.447
  504    HE3  LYS  67           HE1      LYS  67  -1.021  -2.089  13.662
  505    HZ1  LYS  67           HZ1      LYS  67  -0.924  -3.321  15.702
  506    HZ2  LYS  67           HZ2      LYS  67  -1.268  -4.765  14.881
  507    HZ3  LYS  67           HZ3      LYS  67  -2.455  -3.575  14.999
  508    H    THR  68           HN       THR  68  -1.063  -1.002   9.508
  509    HA   THR  68           HA       THR  68  -3.055   0.257   7.854
  510    HB   THR  68           HB       THR  68  -2.471   2.352   8.996
  511    HG1  THR  68           HG1      THR  68  -0.484   0.751  10.243
  512   HG21  THR  68          HG21      THR  68  -2.923   1.623  11.344
  513   HG22  THR  68          HG22      THR  68  -2.689  -0.050  10.802
  514   HG23  THR  68          HG23      THR  68  -4.014   0.915  10.153
  515    H    VAL  69           HN       VAL  69  -2.455   2.322   6.701
  516    HA   VAL  69           HA       VAL  69  -0.337   1.768   4.898
  517    HB   VAL  69           HB       VAL  69  -0.830   3.936   3.830
  518   HG11  VAL  69          HG11      VAL  69  -3.315   2.391   4.520
  519   HG12  VAL  69          HG12      VAL  69  -2.188   2.032   3.210
  520   HG13  VAL  69          HG13      VAL  69  -3.144   3.513   3.173
  521   HG21  VAL  69          HG21      VAL  69  -1.307   5.243   5.827
  522   HG22  VAL  69          HG22      VAL  69  -2.796   4.323   6.068
  523   HG23  VAL  69          HG23      VAL  69  -2.624   5.362   4.658
  524    H    GLY  70           HN       GLY  70  -0.489   3.178   7.914
  525    HA2  GLY  70           HA2      GLY  70   1.838   4.848   7.686
  526    HA3  GLY  70           HA1      GLY  70   1.041   4.352   9.181
  527    H    ASP  71           HN       ASP  71   1.050   1.585   8.727
  528    HA   ASP  71           HA       ASP  71   3.715   0.923   9.576
  529    HB2  ASP  71           HB2      ASP  71   1.542  -0.996   8.662
  530    HB3  ASP  71           HB1      ASP  71   2.994  -1.428   9.550
  531    H    ALA  72           HN       ALA  72   1.926   0.855   6.650
  532    HA   ALA  72           HA       ALA  72   3.655  -0.786   5.133
  533    HB1  ALA  72           HB1      ALA  72   1.640   1.269   4.219
  534    HB2  ALA  72           HB2      ALA  72   1.316  -0.440   4.514
  535    HB3  ALA  72           HB3      ALA  72   2.395   0.038   3.204
  536    H    THR  73           HN       THR  73   3.114   2.747   5.226
  537    HA   THR  73           HA       THR  73   5.076   3.397   3.426
  538    HB   THR  73           HB       THR  73   5.079   5.655   4.654
  539    HG1  THR  73           HG1      THR  73   2.719   4.720   5.837
  540   HG21  THR  73          HG21      THR  73   2.890   6.257   3.713
  541   HG22  THR  73          HG22      THR  73   2.503   4.543   3.545
  542   HG23  THR  73          HG23      THR  73   3.817   5.246   2.605
  543    H    LYS  74           HN       LYS  74   5.278   2.977   6.905
  544    HA   LYS  74           HA       LYS  74   7.834   3.872   7.411
  545    HB2  LYS  74           HB2      LYS  74   6.223   3.164   9.139
  546    HB3  LYS  74           HB1      LYS  74   6.433   1.492   8.649
  547    HG2  LYS  74           HG2      LYS  74   7.665   2.025  10.701
  548    HG3  LYS  74           HG1      LYS  74   8.745   1.538   9.391
  549    HD2  LYS  74           HD2      LYS  74   9.639   3.459  10.613
  550    HD3  LYS  74           HD1      LYS  74   9.265   3.886   8.943
  551    HE2  LYS  74           HE2      LYS  74   7.100   4.830   9.744
  552    HE3  LYS  74           HE1      LYS  74   7.631   4.517  11.398
  553    HZ1  LYS  74           HZ1      LYS  74   9.524   5.992  11.012
  554    HZ2  LYS  74           HZ2      LYS  74   8.051   6.786  10.760
  555    HZ3  LYS  74           HZ3      LYS  74   8.960   6.303   9.436
  556    H    TYR  75           HN       TYR  75   6.825   0.672   6.270
  557    HA   TYR  75           HA       TYR  75   9.494  -0.362   6.126
  558    HB2  TYR  75           HB2      TYR  75   7.605  -1.903   6.369
  559    HB3  TYR  75           HB1      TYR  75   6.912  -1.332   4.856
  560    HD1  TYR  75           HD2      TYR  75   7.894  -2.009   2.703
  561    HD2  TYR  75           HD1      TYR  75   9.461  -3.467   6.380
  562    HE1  TYR  75           HE2      TYR  75   9.116  -3.726   1.474
  563    HE2  TYR  75           HE1      TYR  75  10.692  -5.214   5.161
  564    HH   TYR  75           HH       TYR  75  11.077  -5.180   1.773
  565    H    ILE  76           HN       ILE  76   7.171   0.872   3.815
  566    HA   ILE  76           HA       ILE  76   8.477   0.460   1.415
  567    HB   ILE  76           HB       ILE  76   6.589   2.663   2.255
  568   HG12  ILE  76          HG12      ILE  76   6.142   0.175   0.609
  569   HG13  ILE  76          HG11      ILE  76   5.783   0.321   2.325
  570   HG21  ILE  76          HG21      ILE  76   7.484   1.960  -0.545
  571   HG22  ILE  76          HG22      ILE  76   7.846   3.453   0.326
  572   HG23  ILE  76          HG23      ILE  76   6.186   3.082  -0.131
  573   HD11  ILE  76          HD11      ILE  76   3.786   0.588   0.987
  574   HD12  ILE  76          HD12      ILE  76   4.559   1.935   0.126
  575   HD13  ILE  76          HD13      ILE  76   4.210   2.073   1.851
  576    H    LEU  77           HN       LEU  77   8.446   3.601   3.160
  577    HA   LEU  77           HA       LEU  77  10.372   4.648   1.391
  578    HB2  LEU  77           HB2      LEU  77  10.481   6.626   2.910
  579    HB3  LEU  77           HB1      LEU  77   8.892   6.229   2.314
  580    HG   LEU  77           HG       LEU  77   8.428   5.173   4.565
  581   HD11  LEU  77          HD11      LEU  77   9.767   5.886   6.466
  582   HD12  LEU  77          HD12      LEU  77  10.935   6.627   5.369
  583   HD13  LEU  77          HD13      LEU  77  10.700   4.878   5.358
  584   HD21  LEU  77          HD21      LEU  77   7.987   7.319   5.630
  585   HD22  LEU  77          HD22      LEU  77   7.557   7.313   3.916
  586   HD23  LEU  77          HD23      LEU  77   9.036   8.108   4.451
  587    H    ASP  78           HN       ASP  78  10.699   2.793   4.160
  588    HA   ASP  78           HA       ASP  78  13.390   3.658   4.751
  589    HB2  ASP  78           HB2      ASP  78  12.029   2.651   6.534
  590    HB3  ASP  78           HB1      ASP  78  11.972   1.134   5.642
  591    H    HIS  79           HN       HIS  79  11.906   1.369   2.697
  592    HA   HIS  79           HA       HIS  79  14.448   0.067   2.088
  593    HB2  HIS  79           HB2      HIS  79  12.268  -1.208   2.450
  594    HB3  HIS  79           HB1      HIS  79  11.705  -0.520   0.939
  595    HD1  HIS  79           HD1      HIS  79  13.759  -3.220   2.367
  596    HD2  HIS  79           HD2      HIS  79  13.072  -1.578  -1.388
  597    HE1  HIS  79           HE1      HIS  79  14.594  -4.912   0.716
  598    HE2  HIS  79           HE2      HIS  79  13.792  -4.043  -1.484
  599    H    GLN  80           HN       GLN  80  12.755   2.758   1.129
  600    HA   GLN  80           HA       GLN  80  13.392   2.590  -1.707
  601    HB2  GLN  80           HB2      GLN  80  12.004   4.715  -0.108
  602    HB3  GLN  80           HB1      GLN  80  12.336   4.825  -1.824
  603    HG2  GLN  80           HG2      GLN  80  10.945   2.828  -2.172
  604    HG3  GLN  80           HG1      GLN  80  10.559   2.844  -0.448
  605   HE21  GLN  80          HE21      GLN  80  10.585   5.816  -0.387
  606   HE22  GLN  80          HE22      GLN  80   9.140   6.285  -1.166
  607    H    ALA  81           HN       ALA  81  14.385   4.396  -2.735
  608    HA   ALA  81           HA       ALA  81  16.493   5.633  -1.125
  609    HB1  ALA  81           HB1      ALA  81  17.708   5.883  -3.259
  610    HB2  ALA  81           HB2      ALA  81  16.373   5.105  -4.105
  611    HB3  ALA  81           HB3      ALA  81  17.329   4.192  -2.934
  612    H28  SXO 101          H28B      SXO 101  -6.582 -11.353   3.976
  613   H28A  SXO 101          H28A      SXO 101  -7.076 -11.404   2.282
  614    H30  SXO 101          H30A      SXO 101  -6.758 -14.744   4.815
  615   H30A  SXO 101          H30C      SXO 101  -6.063 -13.147   5.119
  616   H30B  SXO 101          H30B      SXO 101  -7.803 -13.388   5.275
  617    H31  SXO 101          H31A      SXO 101  -8.417 -13.680   1.667
  618   H31A  SXO 101          H31B      SXO 101  -9.165 -13.734   3.263
  619   H31B  SXO 101          H31C      SXO 101  -8.142 -15.076   2.722
  620    H32  SXO 101          H32A      SXO 101  -4.914 -13.512   3.155
  621   HO33  SXO 101          H33A      SXO 101  -6.321 -15.128   1.340
  622   HN36  SXO 101          H36A      SXO 101  -4.573 -11.622   2.202
  623    H37  SXO 101          H37A      SXO 101  -4.289 -11.527  -0.611
  624   H37A  SXO 101          H37B      SXO 101  -5.539 -10.406  -0.051
  625    H38  SXO 101          H38B      SXO 101  -3.260  -9.441  -0.298
  626   H38A  SXO 101          H38A      SXO 101  -2.686 -10.500   0.962
  627   HN41  SXO 101          H41A      SXO 101  -3.021  -9.948   3.039
  628    H42  SXO 101          H42A      SXO 101  -3.277  -7.343   3.681
  629   H42A  SXO 101          H42B      SXO 101  -4.809  -7.971   4.179
  630    H43  SXO 101          H43B      SXO 101  -3.521  -9.425   5.775
  631   H43A  SXO 101          H43A      SXO 101  -2.059  -9.099   4.798
  632    H2   SXO 101           H2A      SXO 101  -1.730  -4.587   6.040
  633    H2A  SXO 101           H2B      SXO 101  -2.920  -4.738   4.790
  634    H3   SXO 101           H3B      SXO 101  -1.330  -4.334   3.044
  635    H3A  SXO 101           H3A      SXO 101  -1.373  -3.009   4.194
  636    H4   SXO 101           H4A      SXO 101   0.732  -5.146   3.934
  637    H4A  SXO 101           H4B      SXO 101   0.680  -3.961   5.243
  638    H5   SXO 101           H5B      SXO 101   0.867  -2.141   3.634
  639    H5A  SXO 101           H5A      SXO 101   2.206  -3.271   3.434
  640    H6   SXO 101           H6A      SXO 101  -0.299  -3.221   1.740
  641    H6A  SXO 101           H6B      SXO 101   1.089  -4.282   1.511
  642    H7   SXO 101           H7A      SXO 101   1.175  -1.264   1.310
  643    H7A  SXO 101           H7B      SXO 101   1.116  -2.382  -0.065
  644    H8   SXO 101           H8C      SXO 101   3.282  -2.243   2.030
  645    H8A  SXO 101           H8A      SXO 101   3.397  -1.639   0.376
  646    H8B  SXO 101           H8B      SXO 101   3.232  -3.372   0.675
  Start of MODEL   12
    1    H1   ALA   1           HT1      ALA   1  10.462   7.191  -5.364
    2    H2   ALA   1           HT2      ALA   1  12.087   6.726  -5.530
    3    H3   ALA   1           HT3      ALA   1  11.636   8.350  -5.712
    4    HA   ALA   1           HA       ALA   1  11.377   6.797  -3.245
    5    HB1  ALA   1           HB1      ALA   1  13.698   7.288  -3.756
    6    HB2  ALA   1           HB2      ALA   1  13.126   8.238  -2.383
    7    HB3  ALA   1           HB3      ALA   1  13.304   9.000  -3.968
    8    H    ALA   2           HN       ALA   2   9.544   7.557  -2.382
    9    HA   ALA   2           HA       ALA   2   9.036  10.445  -2.317
   10    HB1  ALA   2           HB1      ALA   2   7.531   9.412  -3.974
   11    HB2  ALA   2           HB2      ALA   2   6.636   9.998  -2.576
   12    HB3  ALA   2           HB3      ALA   2   6.967   8.274  -2.749
   13    H    THR   3           HN       THR   3   7.356  10.897  -0.451
   14    HA   THR   3           HA       THR   3   8.280   9.220   1.721
   15    HB   THR   3           HB       THR   3   7.247  12.065   1.948
   16    HG1  THR   3           HG1      THR   3   9.000  12.024   0.518
   17   HG21  THR   3          HG21      THR   3   9.040  10.342   3.665
   18   HG22  THR   3          HG22      THR   3   7.411  10.962   4.068
   19   HG23  THR   3          HG23      THR   3   8.768  12.068   3.921
   20    H    GLN   4           HN       GLN   4   6.655   9.393   3.682
   21    HA   GLN   4           HA       GLN   4   4.730   7.597   3.281
   22    HB2  GLN   4           HB2      GLN   4   3.689   8.354   5.419
   23    HB3  GLN   4           HB1      GLN   4   5.419   8.049   5.470
   24    HG2  GLN   4           HG2      GLN   4   5.875  10.421   5.423
   25    HG3  GLN   4           HG1      GLN   4   4.158  10.774   5.231
   26   HE21  GLN   4          HE21      GLN   4   2.833  10.660   6.978
   27   HE22  GLN   4          HE22      GLN   4   3.383  10.433   8.594
   28    H    GLU   5           HN       GLU   5   4.037  11.086   3.106
   29    HA   GLU   5           HA       GLU   5   1.232  10.765   2.895
   30    HB2  GLU   5           HB2      GLU   5   2.458  12.862   3.511
   31    HB3  GLU   5           HB1      GLU   5   2.962  12.999   1.835
   32    HG2  GLU   5           HG2      GLU   5   1.124  14.456   2.230
   33    HG3  GLU   5           HG1      GLU   5   0.617  13.123   1.184
   34    H    GLU   6           HN       GLU   6   3.720  11.454   0.487
   35    HA   GLU   6           HA       GLU   6   2.148  11.191  -1.808
   36    HB2  GLU   6           HB2      GLU   6   5.077  10.527  -1.601
   37    HB3  GLU   6           HB1      GLU   6   4.230  10.991  -3.058
   38    HG2  GLU   6           HG2      GLU   6   5.343  12.922  -2.528
   39    HG3  GLU   6           HG1      GLU   6   3.801  13.207  -1.720
   40    H    ILE   7           HN       ILE   7   3.884   8.847   0.104
   41    HA   ILE   7           HA       ILE   7   3.723   6.686  -1.601
   42    HB   ILE   7           HB       ILE   7   3.730   6.666   1.431
   43   HG12  ILE   7          HG12      ILE   7   5.759   7.586   0.493
   44   HG13  ILE   7          HG11      ILE   7   6.101   5.979   1.123
   45   HG21  ILE   7          HG21      ILE   7   4.370   4.298   1.299
   46   HG22  ILE   7          HG22      ILE   7   4.116   4.332  -0.446
   47   HG23  ILE   7          HG23      ILE   7   2.757   4.579   0.646
   48   HD11  ILE   7          HD11      ILE   7   7.224   6.358  -1.007
   49   HD12  ILE   7          HD12      ILE   7   5.679   6.693  -1.774
   50   HD13  ILE   7          HD13      ILE   7   6.025   5.086  -1.157
   51    H    VAL   8           HN       VAL   8   1.569   7.549   1.123
   52    HA   VAL   8           HA       VAL   8  -0.354   5.566   0.667
   53    HB   VAL   8           HB       VAL   8  -0.686   8.267   2.026
   54   HG11  VAL   8          HG11      VAL   8  -2.860   7.356   1.344
   55   HG12  VAL   8          HG12      VAL   8  -2.655   7.305   3.095
   56   HG13  VAL   8          HG13      VAL   8  -2.463   5.835   2.141
   57   HG21  VAL   8          HG21      VAL   8  -0.213   5.510   3.122
   58   HG22  VAL   8          HG22      VAL   8  -0.459   6.976   4.073
   59   HG23  VAL   8          HG23      VAL   8   0.966   6.818   3.047
   60    H    ALA   9           HN       ALA   9  -0.107   8.830  -0.628
   61    HA   ALA   9           HA       ALA   9  -2.554   8.837  -2.025
   62    HB1  ALA   9           HB1      ALA   9   0.025  10.244  -2.725
   63    HB2  ALA   9           HB2      ALA   9  -1.225  10.866  -1.648
   64    HB3  ALA   9           HB3      ALA   9  -1.572  10.637  -3.362
   65    H    GLY  10           HN       GLY  10   0.642   7.629  -2.838
   66    HA2  GLY  10           HA2      GLY  10   0.051   6.955  -5.544
   67    HA3  GLY  10           HA1      GLY  10   1.428   6.387  -4.603
   68    H    LEU  11           HN       LEU  11  -0.324   5.379  -2.491
   69    HA   LEU  11           HA       LEU  11  -0.798   2.767  -3.455
   70    HB2  LEU  11           HB2      LEU  11  -1.868   4.162  -0.995
   71    HB3  LEU  11           HB1      LEU  11  -2.059   2.454  -1.318
   72    HG   LEU  11           HG       LEU  11   0.596   3.835  -0.926
   73   HD11  LEU  11          HD11      LEU  11  -0.728   3.855   1.125
   74   HD12  LEU  11          HD12      LEU  11   0.613   2.715   1.255
   75   HD13  LEU  11          HD13      LEU  11  -1.021   2.125   0.961
   76   HD21  LEU  11          HD21      LEU  11   1.456   1.556  -0.742
   77   HD22  LEU  11          HD22      LEU  11   0.711   1.835  -2.317
   78   HD23  LEU  11          HD23      LEU  11  -0.153   0.917  -1.083
   79    H    ALA  12           HN       ALA  12  -2.860   5.520  -2.829
   80    HA   ALA  12           HA       ALA  12  -5.319   4.275  -3.323
   81    HB1  ALA  12           HB1      ALA  12  -4.680   7.193  -3.580
   82    HB2  ALA  12           HB2      ALA  12  -5.090   6.337  -2.080
   83    HB3  ALA  12           HB3      ALA  12  -6.270   6.444  -3.389
   84    H    GLU  13           HN       GLU  13  -3.010   5.635  -5.615
   85    HA   GLU  13           HA       GLU  13  -4.955   5.838  -7.679
   86    HB2  GLU  13           HB2      GLU  13  -3.042   6.026  -9.291
   87    HB3  GLU  13           HB1      GLU  13  -2.960   7.173  -7.968
   88    HG2  GLU  13           HG2      GLU  13  -1.293   5.797  -6.870
   89    HG3  GLU  13           HG1      GLU  13  -1.415   4.609  -8.163
   90    H    ILE  14           HN       ILE  14  -2.980   3.223  -6.578
   91    HA   ILE  14           HA       ILE  14  -3.991   1.556  -8.723
   92    HB   ILE  14           HB       ILE  14  -2.368   0.703  -6.277
   93   HG12  ILE  14          HG12      ILE  14  -0.598   0.169  -8.075
   94   HG13  ILE  14          HG11      ILE  14  -1.549   1.180  -9.148
   95   HG21  ILE  14          HG21      ILE  14  -2.085  -1.453  -7.421
   96   HG22  ILE  14          HG22      ILE  14  -3.182  -0.893  -8.691
   97   HG23  ILE  14          HG23      ILE  14  -3.773  -1.098  -7.043
   98   HD11  ILE  14          HD11      ILE  14  -1.192   3.073  -7.654
   99   HD12  ILE  14          HD12      ILE  14   0.325   2.384  -8.226
  100   HD13  ILE  14          HD13      ILE  14  -0.236   2.045  -6.587
  101    H    VAL  15           HN       VAL  15  -4.504   2.037  -5.262
  102    HA   VAL  15           HA       VAL  15  -6.301  -0.065  -4.968
  103    HB   VAL  15           HB       VAL  15  -6.052   2.420  -3.223
  104   HG11  VAL  15          HG11      VAL  15  -7.241   1.138  -1.536
  105   HG12  VAL  15          HG12      VAL  15  -7.466  -0.180  -2.688
  106   HG13  VAL  15          HG13      VAL  15  -8.245   1.379  -2.964
  107   HG21  VAL  15          HG21      VAL  15  -4.054   1.017  -3.237
  108   HG22  VAL  15          HG22      VAL  15  -5.060  -0.392  -2.869
  109   HG23  VAL  15          HG23      VAL  15  -4.918   0.907  -1.693
  110    H    ASN  16           HN       ASN  16  -6.948   3.202  -6.114
  111    HA   ASN  16           HA       ASN  16  -9.784   2.869  -6.026
  112    HB2  ASN  16           HB2      ASN  16  -8.836   5.142  -6.183
  113    HB3  ASN  16           HB1      ASN  16  -8.138   4.752  -7.747
  114   HD21  ASN  16          HD21      ASN  16 -11.132   5.501  -6.045
  115   HD22  ASN  16          HD22      ASN  16 -12.077   5.757  -7.456
  116    H    GLU  17           HN       GLU  17  -7.318   1.994  -8.269
  117    HA   GLU  17           HA       GLU  17  -8.984   1.437 -10.505
  118    HB2  GLU  17           HB2      GLU  17  -6.441   1.777 -10.425
  119    HB3  GLU  17           HB1      GLU  17  -6.348   0.132  -9.824
  120    HG2  GLU  17           HG2      GLU  17  -5.890   0.129 -12.161
  121    HG3  GLU  17           HG1      GLU  17  -7.466  -0.626 -11.906
  122    H    ILE  18           HN       ILE  18  -7.693  -0.423  -7.830
  123    HA   ILE  18           HA       ILE  18  -8.759  -2.969  -8.676
  124    HB   ILE  18           HB       ILE  18  -7.473  -2.091  -6.084
  125   HG12  ILE  18          HG12      ILE  18  -6.005  -1.914  -7.986
  126   HG13  ILE  18          HG11      ILE  18  -5.484  -3.242  -6.953
  127   HG21  ILE  18          HG21      ILE  18  -7.135  -4.472  -5.591
  128   HG22  ILE  18          HG22      ILE  18  -8.092  -4.897  -7.010
  129   HG23  ILE  18          HG23      ILE  18  -8.848  -4.051  -5.660
  130   HD11  ILE  18          HD11      ILE  18  -6.536  -4.829  -8.487
  131   HD12  ILE  18          HD12      ILE  18  -5.310  -3.844  -9.304
  132   HD13  ILE  18          HD13      ILE  18  -7.032  -3.491  -9.523
  133    H    ALA  19           HN       ALA  19  -9.453  -0.807  -5.925
  134    HA   ALA  19           HA       ALA  19 -11.871  -2.384  -5.409
  135    HB1  ALA  19           HB1      ALA  19 -11.801  -1.458  -3.157
  136    HB2  ALA  19           HB2      ALA  19 -10.411  -0.465  -3.611
  137    HB3  ALA  19           HB3      ALA  19 -10.267  -2.223  -3.587
  138    H    GLY  20           HN       GLY  20 -10.733   0.936  -5.555
  139    HA2  GLY  20           HA2      GLY  20 -11.956   2.629  -6.742
  140    HA3  GLY  20           HA1      GLY  20 -13.417   1.686  -6.500
  141    H    ILE  21           HN       ILE  21 -11.013   2.662  -4.138
  142    HA   ILE  21           HA       ILE  21 -13.053   3.841  -2.472
  143    HB   ILE  21           HB       ILE  21 -10.920   4.554  -1.129
  144   HG12  ILE  21          HG12      ILE  21  -9.060   2.893  -1.361
  145   HG13  ILE  21          HG11      ILE  21  -9.798   2.332  -2.846
  146   HG21  ILE  21          HG21      ILE  21 -10.892   2.425   0.045
  147   HG22  ILE  21          HG22      ILE  21 -11.898   1.726  -1.238
  148   HG23  ILE  21          HG23      ILE  21 -12.498   3.076  -0.258
  149   HD11  ILE  21          HD11      ILE  21  -9.421   4.545  -3.846
  150   HD12  ILE  21          HD12      ILE  21  -7.920   3.800  -3.291
  151   HD13  ILE  21          HD13      ILE  21  -8.670   5.087  -2.344
  152    HA   PRO  22           HA       PRO  22 -12.315   8.060  -3.682
  153    HB2  PRO  22           HB2      PRO  22 -12.360   8.909  -0.859
  154    HB3  PRO  22           HB1      PRO  22 -13.512   9.291  -2.142
  155    HG2  PRO  22           HG2      PRO  22 -14.161   7.665  -0.103
  156    HG3  PRO  22           HG1      PRO  22 -14.785   7.402  -1.746
  157    HD2  PRO  22           HD2      PRO  22 -12.502   6.061  -0.350
  158    HD3  PRO  22           HD1      PRO  22 -13.781   5.308  -1.316
  159    H    VAL  23           HN       VAL  23 -10.378   8.951  -4.126
  160    HA   VAL  23           HA       VAL  23  -8.104   7.925  -2.706
  161    HB   VAL  23           HB       VAL  23  -6.684   9.113  -4.336
  162   HG11  VAL  23          HG11      VAL  23  -8.997   7.608  -5.564
  163   HG12  VAL  23          HG12      VAL  23  -7.543   6.894  -4.869
  164   HG13  VAL  23          HG13      VAL  23  -7.430   7.884  -6.325
  165   HG21  VAL  23          HG21      VAL  23  -9.309  10.099  -5.403
  166   HG22  VAL  23          HG22      VAL  23  -7.734  10.350  -6.185
  167   HG23  VAL  23          HG23      VAL  23  -8.090  11.075  -4.604
  168    H    GLU  24           HN       GLU  24 -10.018  10.522  -2.191
  169    HA   GLU  24           HA       GLU  24  -8.007  12.166  -0.894
  170    HB2  GLU  24           HB2      GLU  24 -11.003  12.364  -0.496
  171    HB3  GLU  24           HB1      GLU  24  -9.806  13.604  -0.206
  172    HG2  GLU  24           HG2      GLU  24 -10.904  14.305  -2.119
  173    HG3  GLU  24           HG1      GLU  24  -9.439  13.553  -2.747
  174    H    ASP  25           HN       ASP  25  -9.959   9.481  -0.263
  175    HA   ASP  25           HA       ASP  25 -10.380   9.967   2.539
  176    HB2  ASP  25           HB2      ASP  25 -11.964   8.840   0.930
  177    HB3  ASP  25           HB1      ASP  25 -10.882   7.475   0.951
  178    H    VAL  26           HN       VAL  26  -8.258   8.202   0.492
  179    HA   VAL  26           HA       VAL  26  -7.199   6.481   2.514
  180    HB   VAL  26           HB       VAL  26  -5.984   7.140  -0.186
  181   HG11  VAL  26          HG11      VAL  26  -4.938   4.929   0.008
  182   HG12  VAL  26          HG12      VAL  26  -5.662   4.731   1.606
  183   HG13  VAL  26          HG13      VAL  26  -4.459   5.991   1.334
  184   HG21  VAL  26          HG21      VAL  26  -8.274   6.403  -0.464
  185   HG22  VAL  26          HG22      VAL  26  -7.956   4.988   0.539
  186   HG23  VAL  26          HG23      VAL  26  -7.152   5.163  -1.020
  187    H    LYS  27           HN       LYS  27  -6.718   7.995   4.040
  188    HA   LYS  27           HA       LYS  27  -4.387   9.730   3.660
  189    HB2  LYS  27           HB2      LYS  27  -6.344   9.423   5.950
  190    HB3  LYS  27           HB1      LYS  27  -5.025  10.580   5.906
  191    HG2  LYS  27           HG2      LYS  27  -6.056  11.741   4.051
  192    HG3  LYS  27           HG1      LYS  27  -7.329  10.522   3.963
  193    HD2  LYS  27           HD2      LYS  27  -8.122  11.143   6.165
  194    HD3  LYS  27           HD1      LYS  27  -6.794  12.284   6.356
  195    HE2  LYS  27           HE2      LYS  27  -8.874  13.430   5.767
  196    HE3  LYS  27           HE1      LYS  27  -7.656  13.618   4.508
  197    HZ1  LYS  27           HZ1      LYS  27  -9.812  13.157   3.558
  198    HZ2  LYS  27           HZ2      LYS  27  -9.973  11.709   4.390
  199    HZ3  LYS  27           HZ3      LYS  27  -8.777  11.907   3.217
  200    H    LEU  28           HN       LEU  28  -2.978   9.694   5.804
  201    HA   LEU  28           HA       LEU  28  -1.667   7.214   6.002
  202    HB2  LEU  28           HB2      LEU  28  -1.486   9.766   7.503
  203    HB3  LEU  28           HB1      LEU  28  -0.807   8.355   8.279
  204    HG   LEU  28           HG       LEU  28   0.882   9.679   7.090
  205   HD11  LEU  28          HD11      LEU  28   0.405   6.965   5.895
  206   HD12  LEU  28          HD12      LEU  28   1.254   7.315   7.400
  207   HD13  LEU  28          HD13      LEU  28   1.930   7.850   5.859
  208   HD21  LEU  28          HD21      LEU  28  -0.630   8.913   4.593
  209   HD22  LEU  28          HD22      LEU  28   0.940   9.715   4.645
  210   HD23  LEU  28          HD23      LEU  28  -0.492  10.540   5.261
  211    H    ASP  29           HN       ASP  29  -4.406   8.286   7.647
  212    HA   ASP  29           HA       ASP  29  -4.178   6.345   9.817
  213    HB2  ASP  29           HB2      ASP  29  -6.244   8.435   9.158
  214    HB3  ASP  29           HB1      ASP  29  -6.444   7.278  10.465
  215    H    LYS  30           HN       LYS  30  -4.391   5.372   7.117
  216    HA   LYS  30           HA       LYS  30  -6.973   4.002   7.306
  217    HB2  LYS  30           HB2      LYS  30  -5.402   4.809   4.882
  218    HB3  LYS  30           HB1      LYS  30  -6.658   3.578   4.808
  219    HG2  LYS  30           HG2      LYS  30  -7.070   6.361   5.832
  220    HG3  LYS  30           HG1      LYS  30  -7.423   5.853   4.168
  221    HD2  LYS  30           HD2      LYS  30  -8.983   4.178   5.009
  222    HD3  LYS  30           HD1      LYS  30  -8.613   4.650   6.664
  223    HE2  LYS  30           HE2      LYS  30  -9.563   6.837   6.276
  224    HE3  LYS  30           HE1      LYS  30  -9.847   6.427   4.580
  225    HZ1  LYS  30           HZ1      LYS  30 -11.053   4.960   6.870
  226    HZ2  LYS  30           HZ2      LYS  30 -11.437   4.781   5.218
  227    HZ3  LYS  30           HZ3      LYS  30 -11.838   6.197   6.014
  228    H    SER  31           HN       SER  31  -6.971   1.911   6.096
  229    HA   SER  31           HA       SER  31  -4.584   0.327   6.192
  230    HB2  SER  31           HB2      SER  31  -5.323  -0.001   8.420
  231    HB3  SER  31           HB1      SER  31  -7.026  -0.148   7.945
  232    HG   SER  31           HG       SER  31  -5.455  -2.075   8.389
  233    H    PHE  32           HN       PHE  32  -5.117  -1.750   4.993
  234    HA   PHE  32           HA       PHE  32  -6.526  -0.822   2.714
  235    HB2  PHE  32           HB2      PHE  32  -5.140  -3.432   3.253
  236    HB3  PHE  32           HB1      PHE  32  -5.896  -3.025   1.710
  237    HD1  PHE  32           HD1      PHE  32  -3.122  -2.287   3.982
  238    HD2  PHE  32           HD2      PHE  32  -4.974  -1.326   0.274
  239    HE1  PHE  32           HE1      PHE  32  -1.114  -1.050   3.303
  240    HE2  PHE  32           HE2      PHE  32  -2.960  -0.093  -0.416
  241    HZ   PHE  32           HZ       PHE  32  -1.030   0.046   1.104
  242    H    THR  33           HN       THR  33  -7.213  -3.549   4.876
  243    HA   THR  33           HA       THR  33  -9.897  -3.243   3.796
  244    HB   THR  33           HB       THR  33  -8.887  -5.264   2.946
  245    HG1  THR  33           HG1      THR  33 -10.549  -6.577   3.304
  246   HG21  THR  33          HG21      THR  33  -8.312  -7.153   4.422
  247   HG22  THR  33          HG22      THR  33  -8.610  -6.121   5.821
  248   HG23  THR  33          HG23      THR  33  -7.300  -5.736   4.704
  249    H    ASP  34           HN       ASP  34  -8.477  -2.245   6.207
  250    HA   ASP  34           HA       ASP  34 -10.456  -3.263   8.115
  251    HB2  ASP  34           HB2      ASP  34  -8.107  -3.773   8.751
  252    HB3  ASP  34           HB1      ASP  34  -7.803  -2.039   8.857
  253    H    ASP  35           HN       ASP  35  -8.807  -0.379   6.982
  254    HA   ASP  35           HA       ASP  35 -10.942   1.187   8.287
  255    HB2  ASP  35           HB2      ASP  35  -8.268   1.702   8.437
  256    HB3  ASP  35           HB1      ASP  35  -8.672   2.577   6.976
  257    H    LEU  36           HN       LEU  36  -9.465   0.309   5.225
  258    HA   LEU  36           HA       LEU  36 -11.291   2.024   3.712
  259    HB2  LEU  36           HB2      LEU  36  -8.941   0.315   2.841
  260    HB3  LEU  36           HB1      LEU  36  -9.988   1.213   1.759
  261    HG   LEU  36           HG       LEU  36  -8.289   2.536   3.868
  262   HD11  LEU  36          HD11      LEU  36  -7.754   2.120   0.919
  263   HD12  LEU  36          HD12      LEU  36  -6.884   1.336   2.239
  264   HD13  LEU  36          HD13      LEU  36  -6.775   3.083   2.024
  265   HD21  LEU  36          HD21      LEU  36  -9.716   3.521   1.421
  266   HD22  LEU  36          HD22      LEU  36  -8.751   4.511   2.533
  267   HD23  LEU  36          HD23      LEU  36 -10.249   3.736   3.084
  268    H    ASP  37           HN       ASP  37 -11.591   0.527   1.464
  269    HA   ASP  37           HA       ASP  37 -12.858  -1.939   2.341
  270    HB2  ASP  37           HB2      ASP  37 -14.621  -0.187   2.132
  271    HB3  ASP  37           HB1      ASP  37 -14.106   0.105   0.474
  272    H    VAL  38           HN       VAL  38 -10.943  -2.752   1.583
  273    HA   VAL  38           HA       VAL  38 -10.773  -3.076  -1.347
  274    HB   VAL  38           HB       VAL  38  -8.401  -2.828   0.509
  275   HG11  VAL  38          HG11      VAL  38  -7.099  -2.550  -1.547
  276   HG12  VAL  38          HG12      VAL  38  -8.567  -2.799  -2.492
  277   HG13  VAL  38          HG13      VAL  38  -7.942  -4.098  -1.476
  278   HG21  VAL  38          HG21      VAL  38  -9.522  -0.676  -1.278
  279   HG22  VAL  38          HG22      VAL  38  -7.986  -0.590  -0.415
  280   HG23  VAL  38          HG23      VAL  38  -9.501  -0.666   0.485
  281    H    ASP  39           HN       ASP  39 -11.215  -5.244  -1.528
  282    HA   ASP  39           HA       ASP  39 -10.800  -7.187   0.458
  283    HB2  ASP  39           HB2      ASP  39 -10.906  -7.497  -2.551
  284    HB3  ASP  39           HB1      ASP  39 -10.689  -8.872  -1.479
  285    H    SER  40           HN       SER  40  -9.081  -8.038   1.280
  286    HA   SER  40           HA       SER  40  -6.535  -7.065   0.611
  287    HB2  SER  40           HB2      SER  40  -5.779  -8.585   2.382
  288    HB3  SER  40           HB1      SER  40  -7.230  -7.619   2.771
  289    H    LEU  41           HN       LEU  41  -8.172 -10.045  -0.143
  290    HA   LEU  41           HA       LEU  41  -5.986 -11.438  -1.107
  291    HB2  LEU  41           HB2      LEU  41  -8.899 -11.575  -1.875
  292    HB3  LEU  41           HB1      LEU  41  -7.720 -12.595  -2.668
  293    HG   LEU  41           HG       LEU  41  -8.844 -13.862  -0.985
  294   HD11  LEU  41          HD11      LEU  41  -6.968 -14.619   0.384
  295   HD12  LEU  41          HD12      LEU  41  -6.052 -13.195  -0.107
  296   HD13  LEU  41          HD13      LEU  41  -6.531 -14.393  -1.310
  297   HD21  LEU  41          HD21      LEU  41  -7.947 -11.781   1.016
  298   HD22  LEU  41          HD22      LEU  41  -8.747 -13.303   1.407
  299   HD23  LEU  41          HD23      LEU  41  -9.605 -12.067   0.486
  300    H    SER  42           HN       SER  42  -8.012  -8.983  -2.491
  301    HA   SER  42           HA       SER  42  -6.893  -8.980  -5.123
  302    HB2  SER  42           HB2      SER  42  -8.703  -7.154  -3.635
  303    HB3  SER  42           HB1      SER  42  -8.456  -7.103  -5.401
  304    HG   SER  42           HG       SER  42 -10.117  -8.481  -5.357
  305    H    MET  43           HN       MET  43  -6.142  -7.567  -2.081
  306    HA   MET  43           HA       MET  43  -4.903  -5.153  -2.969
  307    HB2  MET  43           HB2      MET  43  -5.704  -5.799  -0.582
  308    HB3  MET  43           HB1      MET  43  -4.184  -6.653  -0.438
  309    HG2  MET  43           HG2      MET  43  -4.471  -3.687  -0.940
  310    HG3  MET  43           HG1      MET  43  -4.220  -4.427   0.628
  311    HE1  MET  43           HE1      MET  43  -1.929  -5.558   1.385
  312    HE2  MET  43           HE2      MET  43  -0.542  -5.747   0.328
  313    HE3  MET  43           HE3      MET  43  -2.016  -6.662   0.013
  314    H    VAL  44           HN       VAL  44  -4.050  -8.412  -2.854
  315    HA   VAL  44           HA       VAL  44  -1.256  -8.213  -2.998
  316    HB   VAL  44           HB       VAL  44  -3.011 -10.389  -4.196
  317   HG11  VAL  44          HG11      VAL  44  -0.711 -10.514  -4.995
  318   HG12  VAL  44          HG12      VAL  44  -1.072 -11.853  -3.905
  319   HG13  VAL  44          HG13      VAL  44  -0.122 -10.480  -3.332
  320   HG21  VAL  44          HG21      VAL  44  -2.676 -11.571  -2.053
  321   HG22  VAL  44          HG22      VAL  44  -3.527 -10.044  -1.839
  322   HG23  VAL  44          HG23      VAL  44  -1.838 -10.161  -1.418
  323    H    GLU  45           HN       GLU  45  -3.754  -7.625  -5.343
  324    HA   GLU  45           HA       GLU  45  -2.005  -7.596  -7.625
  325    HB2  GLU  45           HB2      GLU  45  -4.835  -6.562  -7.289
  326    HB3  GLU  45           HB1      GLU  45  -3.991  -6.737  -8.821
  327    HG2  GLU  45           HG2      GLU  45  -3.877  -9.157  -8.479
  328    HG3  GLU  45           HG1      GLU  45  -4.724  -8.972  -6.947
  329    H    VAL  46           HN       VAL  46  -3.000  -5.510  -5.138
  330    HA   VAL  46           HA       VAL  46  -2.390  -2.998  -6.398
  331    HB   VAL  46           HB       VAL  46  -2.701  -3.698  -3.455
  332   HG11  VAL  46          HG11      VAL  46  -1.419  -1.656  -3.741
  333   HG12  VAL  46          HG12      VAL  46  -3.019  -1.291  -3.098
  334   HG13  VAL  46          HG13      VAL  46  -2.665  -0.997  -4.803
  335   HG21  VAL  46          HG21      VAL  46  -4.678  -2.481  -5.379
  336   HG22  VAL  46          HG22      VAL  46  -4.933  -2.703  -3.647
  337   HG23  VAL  46          HG23      VAL  46  -4.748  -4.108  -4.700
  338    H    VAL  47           HN       VAL  47  -0.922  -4.928  -3.797
  339    HA   VAL  47           HA       VAL  47   1.354  -3.423  -3.478
  340    HB   VAL  47           HB       VAL  47   0.752  -5.137  -1.849
  341   HG11  VAL  47          HG11      VAL  47   1.654  -7.164  -3.873
  342   HG12  VAL  47          HG12      VAL  47   0.006  -6.911  -3.297
  343   HG13  VAL  47          HG13      VAL  47   1.249  -7.500  -2.190
  344   HG21  VAL  47          HG21      VAL  47   3.514  -5.572  -2.975
  345   HG22  VAL  47          HG22      VAL  47   2.985  -6.035  -1.357
  346   HG23  VAL  47          HG23      VAL  47   3.034  -4.333  -1.815
  347    H    VAL  48           HN       VAL  48   0.935  -6.035  -5.860
  348    HA   VAL  48           HA       VAL  48   3.639  -6.033  -6.648
  349    HB   VAL  48           HB       VAL  48   2.141  -7.896  -7.261
  350   HG11  VAL  48          HG11      VAL  48   0.107  -6.702  -7.759
  351   HG12  VAL  48          HG12      VAL  48   0.564  -7.726  -9.121
  352   HG13  VAL  48          HG13      VAL  48   0.849  -5.986  -9.191
  353   HG21  VAL  48          HG21      VAL  48   2.880  -8.241  -9.578
  354   HG22  VAL  48          HG22      VAL  48   4.174  -7.636  -8.543
  355   HG23  VAL  48          HG23      VAL  48   3.358  -6.546  -9.664
  356    H    ALA  49           HN       ALA  49   0.971  -3.991  -7.537
  357    HA   ALA  49           HA       ALA  49   2.433  -2.687  -9.664
  358    HB1  ALA  49           HB1      ALA  49  -0.256  -2.040  -8.442
  359    HB2  ALA  49           HB2      ALA  49   0.010  -3.021  -9.883
  360    HB3  ALA  49           HB3      ALA  49   0.423  -1.307  -9.894
  361    H    ALA  50           HN       ALA  50   2.036  -2.427  -6.325
  362    HA   ALA  50           HA       ALA  50   2.705   0.357  -6.127
  363    HB1  ALA  50           HB1      ALA  50   2.792  -0.057  -3.722
  364    HB2  ALA  50           HB2      ALA  50   2.667  -1.795  -4.022
  365    HB3  ALA  50           HB3      ALA  50   1.320  -0.732  -4.430
  366    H    GLU  51           HN       GLU  51   4.357  -2.735  -5.829
  367    HA   GLU  51           HA       GLU  51   6.839  -1.919  -4.890
  368    HB2  GLU  51           HB2      GLU  51   6.233  -4.076  -6.903
  369    HB3  GLU  51           HB1      GLU  51   7.761  -3.898  -6.057
  370    HG2  GLU  51           HG2      GLU  51   6.600  -4.297  -3.933
  371    HG3  GLU  51           HG1      GLU  51   5.086  -4.497  -4.819
  372    H    GLU  52           HN       GLU  52   5.663  -2.024  -8.189
  373    HA   GLU  52           HA       GLU  52   8.071  -1.023  -9.365
  374    HB2  GLU  52           HB2      GLU  52   6.611  -0.824 -11.427
  375    HB3  GLU  52           HB1      GLU  52   6.725  -2.430 -10.728
  376    HG2  GLU  52           HG2      GLU  52   4.494  -2.520 -10.708
  377    HG3  GLU  52           HG1      GLU  52   4.524  -1.259  -9.497
  378    H    ARG  53           HN       ARG  53   5.168   0.343  -8.137
  379    HA   ARG  53           HA       ARG  53   5.204   2.864  -9.442
  380    HB2  ARG  53           HB2      ARG  53   3.287   1.603  -8.306
  381    HB3  ARG  53           HB1      ARG  53   3.928   2.223  -6.800
  382    HG2  ARG  53           HG2      ARG  53   2.084   3.572  -7.532
  383    HG3  ARG  53           HG1      ARG  53   3.573   4.514  -7.638
  384    HD2  ARG  53           HD2      ARG  53   1.997   4.699  -9.608
  385    HD3  ARG  53           HD1      ARG  53   3.668   4.283  -9.986
  386    HE   ARG  53           HE       ARG  53   2.920   1.952 -10.218
  387   HH11  ARG  53          HH11      ARG  53   0.302   4.389 -10.330
  388   HH12  ARG  53          HH12      ARG  53  -0.615   3.447 -11.419
  389   HH21  ARG  53          HH21      ARG  53   1.635   0.767 -11.640
  390   HH22  ARG  53          HH22      ARG  53   0.115   1.381 -12.167
  391    H    PHE  54           HN       PHE  54   6.159   1.748  -6.224
  392    HA   PHE  54           HA       PHE  54   7.141   4.410  -5.584
  393    HB2  PHE  54           HB2      PHE  54   6.774   1.992  -3.857
  394    HB3  PHE  54           HB1      PHE  54   7.287   3.583  -3.276
  395    HD1  PHE  54           HD2      PHE  54   5.630   5.491  -3.983
  396    HD2  PHE  54           HD1      PHE  54   4.644   1.383  -3.683
  397    HE1  PHE  54           HE2      PHE  54   3.285   6.090  -3.697
  398    HE2  PHE  54           HE1      PHE  54   2.284   1.974  -3.398
  399    HZ   PHE  54           HZ       PHE  54   1.589   4.250  -3.405
  400    H    ASP  55           HN       ASP  55   8.418   1.516  -6.743
  401    HA   ASP  55           HA       ASP  55  10.536   0.726  -7.062
  402    HB2  ASP  55           HB2      ASP  55  11.282   3.421  -5.980
  403    HB3  ASP  55           HB1      ASP  55  12.527   2.226  -6.341
  404    H    VAL  56           HN       VAL  56   9.257  -0.298  -5.112
  405    HA   VAL  56           HA       VAL  56  11.324  -0.933  -3.223
  406    HB   VAL  56           HB       VAL  56  10.258   0.793  -1.985
  407   HG11  VAL  56          HG11      VAL  56   7.845   0.842  -1.496
  408   HG12  VAL  56          HG12      VAL  56   7.623  -0.569  -2.538
  409   HG13  VAL  56          HG13      VAL  56   8.204   0.956  -3.223
  410   HG21  VAL  56          HG21      VAL  56   9.357  -0.405  -0.034
  411   HG22  VAL  56          HG22      VAL  56  10.812  -1.164  -0.677
  412   HG23  VAL  56          HG23      VAL  56   9.228  -1.866  -1.011
  413    H    LYS  57           HN       LYS  57  11.487  -2.929  -3.628
  414    HA   LYS  57           HA       LYS  57   9.227  -4.520  -4.359
  415    HB2  LYS  57           HB2      LYS  57  10.767  -6.473  -4.294
  416    HB3  LYS  57           HB1      LYS  57  11.313  -5.180  -5.346
  417    HG2  LYS  57           HG2      LYS  57  12.952  -4.500  -3.712
  418    HG3  LYS  57           HG1      LYS  57  12.341  -5.701  -2.567
  419    HD2  LYS  57           HD2      LYS  57  12.963  -7.492  -4.055
  420    HD3  LYS  57           HD1      LYS  57  13.481  -6.333  -5.280
  421    HE2  LYS  57           HE2      LYS  57  15.243  -5.544  -3.848
  422    HE3  LYS  57           HE1      LYS  57  14.679  -6.576  -2.533
  423    HZ1  LYS  57           HZ1      LYS  57  15.584  -7.603  -5.150
  424    HZ2  LYS  57           HZ2      LYS  57  15.292  -8.499  -3.735
  425    HZ3  LYS  57           HZ3      LYS  57  16.610  -7.413  -3.833
  426    H    ILE  58           HN       ILE  58   8.043  -5.787  -3.212
  427    HA   ILE  58           HA       ILE  58   8.473  -5.821  -0.318
  428    HB   ILE  58           HB       ILE  58   5.815  -5.450  -1.746
  429   HG12  ILE  58          HG12      ILE  58   7.390  -3.401  -0.145
  430   HG13  ILE  58          HG11      ILE  58   7.309  -3.451  -1.895
  431   HG21  ILE  58          HG21      ILE  58   4.920  -5.039   0.503
  432   HG22  ILE  58          HG22      ILE  58   6.506  -5.375   1.199
  433   HG23  ILE  58          HG23      ILE  58   5.619  -6.651   0.366
  434   HD11  ILE  58          HD11      ILE  58   4.988  -3.009  -0.034
  435   HD12  ILE  58          HD12      ILE  58   4.922  -3.028  -1.801
  436   HD13  ILE  58          HD13      ILE  58   5.831  -1.771  -0.966
  437    HA   PRO  59           HA       PRO  59   8.095 -10.166  -1.688
  438    HB2  PRO  59           HB2      PRO  59   9.085 -10.519   1.090
  439    HB3  PRO  59           HB1      PRO  59   9.697 -11.221  -0.413
  440    HG2  PRO  59           HG2      PRO  59  11.034  -9.290   0.829
  441    HG3  PRO  59           HG1      PRO  59  10.930  -9.331  -0.942
  442    HD2  PRO  59           HD2      PRO  59   9.410  -7.645   1.006
  443    HD3  PRO  59           HD1      PRO  59  10.127  -7.193  -0.555
  444    H    ASP  60           HN       ASP  60   6.734 -11.803  -0.932
  445    HA   ASP  60           HA       ASP  60   4.283 -10.967   0.093
  446    HB2  ASP  60           HB2      ASP  60   4.596 -12.966  -1.307
  447    HB3  ASP  60           HB1      ASP  60   5.391 -13.774   0.044
  448    H    ASP  61           HN       ASP  61   6.978 -12.523   1.679
  449    HA   ASP  61           HA       ASP  61   5.831 -12.915   4.208
  450    HB2  ASP  61           HB2      ASP  61   7.891 -13.997   3.652
  451    HB3  ASP  61           HB1      ASP  61   8.686 -12.456   3.364
  452    H    ASP  62           HN       ASP  62   7.340 -10.107   2.782
  453    HA   ASP  62           HA       ASP  62   7.300  -8.616   5.244
  454    HB2  ASP  62           HB2      ASP  62   8.269  -8.025   2.500
  455    HB3  ASP  62           HB1      ASP  62   7.820  -6.660   3.512
  456    H    VAL  63           HN       VAL  63   5.286  -8.834   2.403
  457    HA   VAL  63           HA       VAL  63   3.778  -6.505   3.028
  458    HB   VAL  63           HB       VAL  63   3.868  -7.631   0.794
  459   HG11  VAL  63          HG11      VAL  63   2.207  -9.264   0.143
  460   HG12  VAL  63          HG12      VAL  63   1.851  -9.526   1.856
  461   HG13  VAL  63          HG13      VAL  63   3.467  -9.867   1.222
  462   HG21  VAL  63          HG21      VAL  63   1.583  -6.989   0.115
  463   HG22  VAL  63          HG22      VAL  63   2.379  -5.796   1.142
  464   HG23  VAL  63          HG23      VAL  63   1.156  -6.872   1.821
  465    H    LYS  64           HN       LYS  64   3.277  -9.830   3.585
  466    HA   LYS  64           HA       LYS  64   0.838  -9.629   5.069
  467    HB2  LYS  64           HB2      LYS  64   2.930 -11.787   5.113
  468    HB3  LYS  64           HB1      LYS  64   1.513 -11.851   6.141
  469    HG2  LYS  64           HG2      LYS  64   0.094 -11.812   4.116
  470    HG3  LYS  64           HG1      LYS  64   1.564 -11.862   3.130
  471    HD2  LYS  64           HD2      LYS  64   2.210 -13.968   4.096
  472    HD3  LYS  64           HD1      LYS  64   0.873 -13.901   5.237
  473    HE2  LYS  64           HE2      LYS  64   0.412 -15.454   3.416
  474    HE3  LYS  64           HE1      LYS  64  -0.715 -14.101   3.397
  475    HZ1  LYS  64           HZ1      LYS  64   0.211 -14.772   1.186
  476    HZ2  LYS  64           HZ2      LYS  64   1.708 -14.215   1.668
  477    HZ3  LYS  64           HZ3      LYS  64   0.417 -13.155   1.543
  478    H    ASN  65           HN       ASN  65   3.926  -8.686   5.963
  479    HA   ASN  65           HA       ASN  65   3.614  -9.131   8.807
  480    HB2  ASN  65           HB2      ASN  65   5.843  -9.171   7.642
  481    HB3  ASN  65           HB1      ASN  65   5.686  -7.436   7.395
  482   HD21  ASN  65          HD21      ASN  65   6.247  -9.960   9.649
  483   HD22  ASN  65          HD22      ASN  65   6.785  -8.978  10.977
  484    H    LEU  66           HN       LEU  66   2.666  -6.761   6.539
  485    HA   LEU  66           HA       LEU  66   2.673  -4.608   8.508
  486    HB2  LEU  66           HB2      LEU  66   2.112  -4.599   5.549
  487    HB3  LEU  66           HB1      LEU  66   2.208  -3.187   6.585
  488    HG   LEU  66           HG       LEU  66   4.506  -5.062   6.029
  489   HD11  LEU  66          HD11      LEU  66   5.387  -3.175   4.703
  490   HD12  LEU  66          HD12      LEU  66   3.806  -2.387   4.904
  491   HD13  LEU  66          HD13      LEU  66   3.925  -3.912   4.037
  492   HD21  LEU  66          HD21      LEU  66   5.870  -3.305   7.059
  493   HD22  LEU  66          HD22      LEU  66   4.680  -3.946   8.194
  494   HD23  LEU  66          HD23      LEU  66   4.409  -2.384   7.423
  495    H    LYS  67           HN       LYS  67   0.664  -3.151   8.216
  496    HA   LYS  67           HA       LYS  67  -1.750  -4.747   7.824
  497    HB2  LYS  67           HB2      LYS  67  -2.688  -3.978  10.022
  498    HB3  LYS  67           HB1      LYS  67  -1.376  -5.140  10.120
  499    HG2  LYS  67           HG2      LYS  67   0.186  -3.308  10.589
  500    HG3  LYS  67           HG1      LYS  67  -1.147  -2.172  10.522
  501    HD2  LYS  67           HD2      LYS  67  -0.729  -2.613  12.838
  502    HD3  LYS  67           HD1      LYS  67  -2.245  -3.386  12.404
  503    HE2  LYS  67           HE2      LYS  67   0.402  -4.834  12.553
  504    HE3  LYS  67           HE1      LYS  67  -0.716  -4.719  13.900
  505    HZ1  LYS  67           HZ1      LYS  67  -1.190  -6.109  11.299
  506    HZ2  LYS  67           HZ2      LYS  67  -2.379  -5.879  12.466
  507    HZ3  LYS  67           HZ3      LYS  67  -1.002  -6.792  12.819
  508    H    THR  68           HN       THR  68  -0.818  -1.420   8.916
  509    HA   THR  68           HA       THR  68  -3.197  -0.494   7.517
  510    HB   THR  68           HB       THR  68  -2.883   1.625   8.729
  511    HG1  THR  68           HG1      THR  68  -1.182   1.599  10.398
  512   HG21  THR  68          HG21      THR  68  -4.144  -0.152   9.892
  513   HG22  THR  68          HG22      THR  68  -3.244   0.846  11.032
  514   HG23  THR  68          HG23      THR  68  -2.640  -0.748  10.590
  515    H    VAL  69           HN       VAL  69  -2.619   1.982   6.742
  516    HA   VAL  69           HA       VAL  69  -0.571   1.500   4.779
  517    HB   VAL  69           HB       VAL  69  -1.213   3.628   3.722
  518   HG11  VAL  69          HG11      VAL  69  -3.584   1.902   4.397
  519   HG12  VAL  69          HG12      VAL  69  -2.433   1.641   3.087
  520   HG13  VAL  69          HG13      VAL  69  -3.498   3.047   3.059
  521   HG21  VAL  69          HG21      VAL  69  -1.797   4.914   5.720
  522   HG22  VAL  69          HG22      VAL  69  -3.219   3.894   5.961
  523   HG23  VAL  69          HG23      VAL  69  -3.117   4.933   4.552
  524    H    GLY  70           HN       GLY  70  -0.942   3.132   7.766
  525    HA2  GLY  70           HA2      GLY  70   1.388   4.834   7.433
  526    HA3  GLY  70           HA1      GLY  70   0.448   4.622   8.907
  527    H    ASP  71           HN       ASP  71   0.630   1.702   8.557
  528    HA   ASP  71           HA       ASP  71   3.095   1.212   9.926
  529    HB2  ASP  71           HB2      ASP  71   1.091  -0.029  10.515
  530    HB3  ASP  71           HB1      ASP  71   0.914  -0.590   8.866
  531    H    ALA  72           HN       ALA  72   1.801   0.818   6.737
  532    HA   ALA  72           HA       ALA  72   3.900  -0.814   5.731
  533    HB1  ALA  72           HB1      ALA  72   2.810  -0.588   3.592
  534    HB2  ALA  72           HB2      ALA  72   1.799   0.714   4.221
  535    HB3  ALA  72           HB3      ALA  72   1.623  -0.924   4.853
  536    H    THR  73           HN       THR  73   3.133   2.671   5.497
  537    HA   THR  73           HA       THR  73   4.756   3.456   3.470
  538    HB   THR  73           HB       THR  73   4.926   5.607   4.951
  539    HG1  THR  73           HG1      THR  73   4.098   5.307   6.873
  540   HG21  THR  73          HG21      THR  73   2.295   4.492   3.978
  541   HG22  THR  73          HG22      THR  73   3.484   5.338   2.987
  542   HG23  THR  73          HG23      THR  73   2.644   6.193   4.281
  543    H    LYS  74           HN       LYS  74   5.648   3.005   6.827
  544    HA   LYS  74           HA       LYS  74   8.212   4.114   6.676
  545    HB2  LYS  74           HB2      LYS  74   7.017   3.652   8.789
  546    HB3  LYS  74           HB1      LYS  74   7.278   1.933   8.545
  547    HG2  LYS  74           HG2      LYS  74   9.677   2.239   8.737
  548    HG3  LYS  74           HG1      LYS  74   9.467   3.985   8.876
  549    HD2  LYS  74           HD2      LYS  74   8.383   1.928  10.804
  550    HD3  LYS  74           HD1      LYS  74   9.819   2.918  11.069
  551    HE2  LYS  74           HE2      LYS  74   8.481   4.938  11.045
  552    HE3  LYS  74           HE1      LYS  74   7.041   4.017  10.618
  553    HZ1  LYS  74           HZ1      LYS  74   8.558   3.779  13.169
  554    HZ2  LYS  74           HZ2      LYS  74   7.202   2.872  12.740
  555    HZ3  LYS  74           HZ3      LYS  74   7.063   4.548  12.964
  556    H    TYR  75           HN       TYR  75   7.169   0.727   6.183
  557    HA   TYR  75           HA       TYR  75   9.790  -0.272   5.733
  558    HB2  TYR  75           HB2      TYR  75   8.117  -1.932   6.201
  559    HB3  TYR  75           HB1      TYR  75   7.070  -1.345   4.914
  560    HD1  TYR  75           HD1      TYR  75  10.441  -2.889   5.444
  561    HD2  TYR  75           HD2      TYR  75   7.120  -2.438   2.821
  562    HE1  TYR  75           HE1      TYR  75  11.389  -4.597   3.950
  563    HE2  TYR  75           HE2      TYR  75   8.070  -4.146   1.327
  564    HH   TYR  75           HH       TYR  75  10.698  -6.174   2.249
  565    H    ILE  76           HN       ILE  76   7.293   0.959   3.664
  566    HA   ILE  76           HA       ILE  76   8.382   0.442   1.157
  567    HB   ILE  76           HB       ILE  76   6.554   2.658   2.099
  568   HG12  ILE  76          HG12      ILE  76   5.961   0.056   0.681
  569   HG13  ILE  76          HG11      ILE  76   5.781   0.327   2.410
  570   HG21  ILE  76          HG21      ILE  76   7.139   1.784  -0.738
  571   HG22  ILE  76          HG22      ILE  76   7.603   3.321  -0.012
  572   HG23  ILE  76          HG23      ILE  76   5.896   2.939  -0.248
  573   HD11  ILE  76          HD11      ILE  76   4.300   1.748   0.230
  574   HD12  ILE  76          HD12      ILE  76   4.158   2.051   1.961
  575   HD13  ILE  76          HD13      ILE  76   3.647   0.489   1.296
  576    H    LEU  77           HN       LEU  77   8.396   3.622   2.839
  577    HA   LEU  77           HA       LEU  77  10.165   4.730   0.968
  578    HB2  LEU  77           HB2      LEU  77  10.353   6.683   2.499
  579    HB3  LEU  77           HB1      LEU  77   8.723   6.240   2.075
  580    HG   LEU  77           HG       LEU  77   8.575   5.120   4.361
  581   HD11  LEU  77          HD11      LEU  77  10.075   5.922   6.103
  582   HD12  LEU  77          HD12      LEU  77  11.060   6.736   4.889
  583   HD13  LEU  77          HD13      LEU  77  10.942   4.976   4.891
  584   HD21  LEU  77          HD21      LEU  77   8.971   8.092   4.200
  585   HD22  LEU  77          HD22      LEU  77   8.120   7.239   5.491
  586   HD23  LEU  77          HD23      LEU  77   7.491   7.208   3.839
  587    H    ASP  78           HN       ASP  78  10.788   2.863   3.666
  588    HA   ASP  78           HA       ASP  78  13.531   3.705   4.031
  589    HB2  ASP  78           HB2      ASP  78  12.397   2.765   5.926
  590    HB3  ASP  78           HB1      ASP  78  12.002   1.304   5.036
  591    H    HIS  79           HN       HIS  79  11.858   1.320   2.138
  592    HA   HIS  79           HA       HIS  79  14.377  -0.067   1.527
  593    HB2  HIS  79           HB2      HIS  79  12.105  -1.165   2.233
  594    HB3  HIS  79           HB1      HIS  79  11.680  -0.925   0.546
  595    HD1  HIS  79           HD1      HIS  79  12.978  -2.461  -1.228
  596    HD2  HIS  79           HD2      HIS  79  13.901  -3.164   2.774
  597    HE1  HIS  79           HE1      HIS  79  14.085  -4.695  -1.165
  598    HE2  HIS  79           HE2      HIS  79  14.547  -5.142   1.287
  599    H    GLN  80           HN       GLN  80  12.542   2.403   0.343
  600    HA   GLN  80           HA       GLN  80  12.411   1.870  -2.423
  601    HB2  GLN  80           HB2      GLN  80  12.248   4.411  -0.864
  602    HB3  GLN  80           HB1      GLN  80  12.207   4.392  -2.622
  603    HG2  GLN  80           HG2      GLN  80  10.256   3.011  -2.592
  604    HG3  GLN  80           HG1      GLN  80  10.338   2.903  -0.837
  605   HE21  GLN  80          HE21      GLN  80  11.106   5.764  -0.561
  606   HE22  GLN  80          HE22      GLN  80   9.626   6.590  -0.759
  607    H    ALA  81           HN       ALA  81  13.599   2.331  -4.066
  608    HA   ALA  81           HA       ALA  81  15.660   4.171  -4.231
  609    HB1  ALA  81           HB1      ALA  81  16.901   2.581  -2.873
  610    HB2  ALA  81           HB2      ALA  81  17.567   2.659  -4.512
  611    HB3  ALA  81           HB3      ALA  81  16.548   1.288  -4.026
  612    H28  SXO 101          H28B      SXO 101  -5.438 -10.977   4.700
  613   H28A  SXO 101          H28A      SXO 101  -5.635 -11.321   2.984
  614    H30  SXO 101          H30A      SXO 101  -5.683 -14.312   5.917
  615   H30A  SXO 101          H30C      SXO 101  -5.458 -12.575   6.248
  616   H30B  SXO 101          H30B      SXO 101  -7.030 -13.165   5.678
  617    H31  SXO 101          H31A      SXO 101  -7.326 -13.857   3.431
  618   H31A  SXO 101          H31B      SXO 101  -5.961 -14.985   3.471
  619   H31B  SXO 101          H31C      SXO 101  -6.007 -13.679   2.275
  620    H32  SXO 101          H32A      SXO 101  -3.490 -12.656   4.896
  621   HO33  SXO 101          H33A      SXO 101  -3.246 -14.842   3.466
  622   HN36  SXO 101          H36A      SXO 101  -3.915 -10.996   3.068
  623    H37  SXO 101          H37A      SXO 101  -2.283 -11.755   0.762
  624   H37A  SXO 101          H37B      SXO 101  -3.801 -10.886   0.541
  625    H38  SXO 101          H38B      SXO 101  -1.860  -9.395   0.470
  626   H38A  SXO 101          H38A      SXO 101  -1.404  -9.901   2.089
  627   HN41  SXO 101          H41A      SXO 101  -2.632  -9.264   3.834
  628    H42  SXO 101          H42A      SXO 101  -3.736  -6.660   3.664
  629   H42A  SXO 101          H42B      SXO 101  -4.951  -7.800   4.127
  630    H43  SXO 101          H43B      SXO 101  -3.860  -6.846   6.057
  631   H43A  SXO 101          H43A      SXO 101  -3.463  -8.582   5.897
  632    H2   SXO 101           H2A      SXO 101   0.400  -5.724   4.548
  633    H2A  SXO 101           H2B      SXO 101  -0.155  -4.286   5.381
  634    H3   SXO 101           H3B      SXO 101  -0.470  -4.791   2.436
  635    H3A  SXO 101           H3A      SXO 101  -1.011  -3.354   3.313
  636    H4   SXO 101           H4A      SXO 101   1.830  -4.313   2.958
  637    H4A  SXO 101           H4B      SXO 101   1.359  -2.984   4.014
  638    H5   SXO 101           H5B      SXO 101   0.413  -1.801   2.058
  639    H5A  SXO 101           H5A      SXO 101   2.148  -2.079   1.933
  640    H6   SXO 101           H6A      SXO 101   0.026  -3.780   0.628
  641    H6A  SXO 101           H6B      SXO 101   1.771  -3.938   0.426
  642    H7   SXO 101           H7A      SXO 101   0.131  -1.530  -0.397
  643    H7A  SXO 101           H7B      SXO 101   0.754  -2.781  -1.486
  644    H8   SXO 101           H8C      SXO 101   3.036  -2.199  -0.826
  645    H8A  SXO 101           H8A      SXO 101   2.409  -0.958   0.259
  646    H8B  SXO 101           H8B      SXO 101   2.185  -0.802  -1.484
  Start of MODEL   13
    1    H1   ALA   1           HT1      ALA   1  12.845   4.948  -5.363
    2    H2   ALA   1           HT2      ALA   1  12.605   6.594  -5.685
    3    H3   ALA   1           HT3      ALA   1  11.293   5.548  -5.739
    4    HA   ALA   1           HA       ALA   1  11.483   5.150  -3.393
    5    HB1  ALA   1           HB1      ALA   1  13.885   5.560  -3.193
    6    HB2  ALA   1           HB2      ALA   1  12.963   6.567  -2.076
    7    HB3  ALA   1           HB3      ALA   1  13.625   7.269  -3.552
    8    H    ALA   2           HN       ALA   2   9.537   5.950  -2.969
    9    HA   ALA   2           HA       ALA   2   8.964   8.723  -3.683
   10    HB1  ALA   2           HB1      ALA   2   7.513   7.077  -4.750
   11    HB2  ALA   2           HB2      ALA   2   6.604   8.028  -3.574
   12    HB3  ALA   2           HB3      ALA   2   7.119   6.389  -3.177
   13    H    THR   3           HN       THR   3   8.041  10.023  -2.061
   14    HA   THR   3           HA       THR   3   8.730   8.943   0.536
   15    HB   THR   3           HB       THR   3   8.078  11.870   0.010
   16    HG1  THR   3           HG1      THR   3   9.778  11.105  -1.445
   17   HG21  THR   3          HG21      THR   3   9.849  10.432   1.996
   18   HG22  THR   3          HG22      THR   3   8.301  11.201   2.375
   19   HG23  THR   3          HG23      THR   3   9.684  12.183   1.884
   20    H    GLN   4           HN       GLN   4   7.196   9.787   2.452
   21    HA   GLN   4           HA       GLN   4   5.074   8.107   2.330
   22    HB2  GLN   4           HB2      GLN   4   5.929   8.911   4.435
   23    HB3  GLN   4           HB1      GLN   4   5.319  10.526   4.107
   24    HG2  GLN   4           HG2      GLN   4   3.033   9.702   4.192
   25    HG3  GLN   4           HG1      GLN   4   3.625   8.064   4.459
   26   HE21  GLN   4          HE21      GLN   4   4.374   7.483   6.488
   27   HE22  GLN   4          HE22      GLN   4   4.188   8.511   7.859
   28    H    GLU   5           HN       GLU   5   4.711  11.636   1.825
   29    HA   GLU   5           HA       GLU   5   1.908  11.542   1.456
   30    HB2  GLU   5           HB2      GLU   5   2.142  13.767   0.440
   31    HB3  GLU   5           HB1      GLU   5   3.084  13.637   1.920
   32    HG2  GLU   5           HG2      GLU   5   5.116  13.345   0.635
   33    HG3  GLU   5           HG1      GLU   5   4.197  13.365  -0.864
   34    H    GLU   6           HN       GLU   6   4.514  10.889  -0.650
   35    HA   GLU   6           HA       GLU   6   2.964  10.972  -3.077
   36    HB2  GLU   6           HB2      GLU   6   5.251  11.802  -3.054
   37    HB3  GLU   6           HB1      GLU   6   5.832  10.261  -2.457
   38    HG2  GLU   6           HG2      GLU   6   5.395   9.214  -4.527
   39    HG3  GLU   6           HG1      GLU   6   4.515  10.624  -5.121
   40    H    ILE   7           HN       ILE   7   4.261   8.718  -0.781
   41    HA   ILE   7           HA       ILE   7   3.833   6.323  -2.112
   42    HB   ILE   7           HB       ILE   7   3.702   6.915   0.867
   43   HG12  ILE   7          HG12      ILE   7   5.897   7.265  -0.195
   44   HG13  ILE   7          HG11      ILE   7   5.925   5.921   0.941
   45   HG21  ILE   7          HG21      ILE   7   3.763   4.227  -0.503
   46   HG22  ILE   7          HG22      ILE   7   2.423   4.894   0.430
   47   HG23  ILE   7          HG23      ILE   7   3.941   4.488   1.231
   48   HD11  ILE   7          HD11      ILE   7   5.784   4.349  -0.907
   49   HD12  ILE   7          HD12      ILE   7   7.172   5.421  -1.094
   50   HD13  ILE   7          HD13      ILE   7   5.717   5.686  -2.048
   51    H    VAL   8           HN       VAL   8   1.875   7.946   0.377
   52    HA   VAL   8           HA       VAL   8  -0.381   6.356   0.381
   53    HB   VAL   8           HB       VAL   8  -0.138   9.332   0.929
   54   HG11  VAL   8          HG11      VAL   8  -2.186   9.078   2.229
   55   HG12  VAL   8          HG12      VAL   8  -2.313   7.401   1.695
   56   HG13  VAL   8          HG13      VAL   8  -2.458   8.715   0.527
   57   HG21  VAL   8          HG21      VAL   8  -0.034   8.640   3.267
   58   HG22  VAL   8          HG22      VAL   8   1.291   7.941   2.335
   59   HG23  VAL   8          HG23      VAL   8  -0.102   6.950   2.776
   60    H    ALA   9           HN       ALA   9   0.160   9.335  -1.506
   61    HA   ALA   9           HA       ALA   9  -2.284   9.444  -2.835
   62    HB1  ALA   9           HB1      ALA   9  -1.159  10.856  -4.466
   63    HB2  ALA   9           HB2      ALA   9   0.408  10.311  -3.862
   64    HB3  ALA   9           HB3      ALA   9  -0.651  11.270  -2.828
   65    H    GLY  10           HN       GLY  10   0.700   7.750  -3.681
   66    HA2  GLY  10           HA2      GLY  10  -0.196   6.884  -6.233
   67    HA3  GLY  10           HA1      GLY  10   1.202   6.281  -5.348
   68    H    LEU  11           HN       LEU  11  -0.052   5.433  -3.026
   69    HA   LEU  11           HA       LEU  11  -0.832   2.829  -3.584
   70    HB2  LEU  11           HB2      LEU  11  -1.506   4.541  -1.196
   71    HB3  LEU  11           HB1      LEU  11  -1.833   2.829  -1.281
   72    HG   LEU  11           HG       LEU  11   0.906   4.080  -1.366
   73   HD11  LEU  11          HD11      LEU  11  -0.539   2.595   0.834
   74   HD12  LEU  11          HD12      LEU  11  -0.170   4.318   0.815
   75   HD13  LEU  11          HD13      LEU  11   1.138   3.138   0.883
   76   HD21  LEU  11          HD21      LEU  11   0.033   1.195  -1.195
   77   HD22  LEU  11          HD22      LEU  11   1.694   1.777  -1.095
   78   HD23  LEU  11          HD23      LEU  11   0.779   1.968  -2.593
   79    H    ALA  12           HN       ALA  12  -2.812   5.642  -2.893
   80    HA   ALA  12           HA       ALA  12  -5.273   4.310  -3.015
   81    HB1  ALA  12           HB1      ALA  12  -4.964   6.455  -1.925
   82    HB2  ALA  12           HB2      ALA  12  -6.299   6.418  -3.078
   83    HB3  ALA  12           HB3      ALA  12  -4.781   7.227  -3.515
   84    H    GLU  13           HN       GLU  13  -3.218   5.459  -5.552
   85    HA   GLU  13           HA       GLU  13  -5.176   5.700  -7.578
   86    HB2  GLU  13           HB2      GLU  13  -2.242   5.024  -7.748
   87    HB3  GLU  13           HB1      GLU  13  -3.263   5.337  -9.145
   88    HG2  GLU  13           HG2      GLU  13  -2.680   7.266  -6.919
   89    HG3  GLU  13           HG1      GLU  13  -1.961   7.288  -8.532
   90    H    ILE  14           HN       ILE  14  -3.105   3.001  -6.627
   91    HA   ILE  14           HA       ILE  14  -4.374   1.286  -8.520
   92    HB   ILE  14           HB       ILE  14  -2.794   0.323  -6.093
   93   HG12  ILE  14          HG12      ILE  14  -0.942  -0.057  -7.882
   94   HG13  ILE  14          HG11      ILE  14  -1.797   1.156  -8.818
   95   HG21  ILE  14          HG21      ILE  14  -4.097  -1.394  -7.092
   96   HG22  ILE  14          HG22      ILE  14  -2.401  -1.659  -7.565
   97   HG23  ILE  14          HG23      ILE  14  -3.543  -0.939  -8.697
   98   HD11  ILE  14          HD11      ILE  14  -1.451   2.764  -7.008
   99   HD12  ILE  14          HD12      ILE  14   0.066   2.117  -7.630
  100   HD13  ILE  14          HD13      ILE  14  -0.578   1.533  -6.097
  101    H    VAL  15           HN       VAL  15  -4.691   1.899  -5.068
  102    HA   VAL  15           HA       VAL  15  -6.539  -0.121  -4.539
  103    HB   VAL  15           HB       VAL  15  -6.138   2.496  -3.042
  104   HG11  VAL  15          HG11      VAL  15  -7.634   0.016  -2.199
  105   HG12  VAL  15          HG12      VAL  15  -8.369   1.570  -2.598
  106   HG13  VAL  15          HG13      VAL  15  -7.311   1.427  -1.193
  107   HG21  VAL  15          HG21      VAL  15  -4.198   1.009  -3.030
  108   HG22  VAL  15          HG22      VAL  15  -5.229  -0.314  -2.474
  109   HG23  VAL  15          HG23      VAL  15  -4.967   1.086  -1.440
  110    H    ASN  16           HN       ASN  16  -7.145   3.168  -5.657
  111    HA   ASN  16           HA       ASN  16  -9.974   3.054  -5.512
  112    HB2  ASN  16           HB2      ASN  16  -8.565   5.134  -5.831
  113    HB3  ASN  16           HB1      ASN  16  -8.304   4.633  -7.491
  114   HD21  ASN  16          HD21      ASN  16  -9.487   7.013  -6.478
  115   HD22  ASN  16          HD22      ASN  16 -11.097   7.127  -7.094
  116    H    GLU  17           HN       GLU  17  -7.661   2.204  -8.015
  117    HA   GLU  17           HA       GLU  17  -9.541   1.614 -10.044
  118    HB2  GLU  17           HB2      GLU  17  -7.135   2.060 -10.422
  119    HB3  GLU  17           HB1      GLU  17  -6.745   0.544  -9.631
  120    HG2  GLU  17           HG2      GLU  17  -6.610   0.242 -11.985
  121    HG3  GLU  17           HG1      GLU  17  -8.009  -0.647 -11.387
  122    H    ILE  18           HN       ILE  18  -7.844  -0.365  -7.685
  123    HA   ILE  18           HA       ILE  18  -8.856  -2.869  -8.551
  124    HB   ILE  18           HB       ILE  18  -7.477  -1.955  -6.046
  125   HG12  ILE  18          HG12      ILE  18  -6.135  -1.904  -8.008
  126   HG13  ILE  18          HG11      ILE  18  -5.567  -3.205  -6.967
  127   HG21  ILE  18          HG21      ILE  18  -8.229  -4.792  -6.696
  128   HG22  ILE  18          HG22      ILE  18  -8.811  -3.791  -5.356
  129   HG23  ILE  18          HG23      ILE  18  -7.122  -4.280  -5.411
  130   HD11  ILE  18          HD11      ILE  18  -7.250  -3.506  -9.458
  131   HD12  ILE  18          HD12      ILE  18  -6.739  -4.829  -8.409
  132   HD13  ILE  18          HD13      ILE  18  -5.536  -3.895  -9.298
  133    H    ALA  19           HN       ALA  19  -9.671  -0.870  -5.708
  134    HA   ALA  19           HA       ALA  19 -12.021  -2.604  -5.371
  135    HB1  ALA  19           HB1      ALA  19 -10.493  -1.160  -3.231
  136    HB2  ALA  19           HB2      ALA  19 -10.371  -2.879  -3.619
  137    HB3  ALA  19           HB3      ALA  19 -11.891  -2.215  -3.003
  138    H    GLY  20           HN       GLY  20 -10.855   0.692  -5.272
  139    HA2  GLY  20           HA2      GLY  20 -12.251   2.478  -5.987
  140    HA3  GLY  20           HA1      GLY  20 -13.653   1.525  -5.515
  141    H    ILE  21           HN       ILE  21 -11.214   3.686  -4.497
  142    HA   ILE  21           HA       ILE  21 -12.723   4.159  -2.052
  143    HB   ILE  21           HB       ILE  21 -10.505   4.793  -0.944
  144   HG12  ILE  21          HG12      ILE  21  -8.521   3.383  -1.746
  145   HG13  ILE  21          HG11      ILE  21  -9.389   3.180  -3.247
  146   HG21  ILE  21          HG21      ILE  21 -10.006   2.531  -0.191
  147   HG22  ILE  21          HG22      ILE  21 -11.044   1.893  -1.472
  148   HG23  ILE  21          HG23      ILE  21 -11.727   2.909  -0.198
  149   HD11  ILE  21          HD11      ILE  21  -8.438   5.795  -2.084
  150   HD12  ILE  21          HD12      ILE  21  -9.311   5.607  -3.603
  151   HD13  ILE  21          HD13      ILE  21  -7.700   4.910  -3.419
  152    HA   PRO  22           HA       PRO  22 -12.303   8.395  -3.366
  153    HB2  PRO  22           HB2      PRO  22 -12.047   9.236  -0.551
  154    HB3  PRO  22           HB1      PRO  22 -13.349   9.574  -1.695
  155    HG2  PRO  22           HG2      PRO  22 -13.715   7.914   0.379
  156    HG3  PRO  22           HG1      PRO  22 -14.485   7.622  -1.195
  157    HD2  PRO  22           HD2      PRO  22 -12.012   6.380  -0.039
  158    HD3  PRO  22           HD1      PRO  22 -13.376   5.597  -0.873
  159    H    VAL  23           HN       VAL  23 -10.678   9.869  -3.746
  160    HA   VAL  23           HA       VAL  23  -8.005   8.897  -3.174
  161    HB   VAL  23           HB       VAL  23  -7.194  10.660  -4.714
  162   HG11  VAL  23          HG11      VAL  23  -9.494   9.043  -5.780
  163   HG12  VAL  23          HG12      VAL  23  -7.829   8.477  -5.583
  164   HG13  VAL  23          HG13      VAL  23  -8.198   9.752  -6.747
  165   HG21  VAL  23          HG21      VAL  23  -8.838  12.013  -5.965
  166   HG22  VAL  23          HG22      VAL  23  -8.859  12.356  -4.226
  167   HG23  VAL  23          HG23      VAL  23 -10.116  11.352  -4.931
  168    H    GLU  24           HN       GLU  24  -9.875  10.635  -1.361
  169    HA   GLU  24           HA       GLU  24  -7.631  12.137  -0.191
  170    HB2  GLU  24           HB2      GLU  24  -9.266  13.819   0.557
  171    HB3  GLU  24           HB1      GLU  24  -9.213  13.703  -1.200
  172    HG2  GLU  24           HG2      GLU  24 -11.240  12.409  -1.223
  173    HG3  GLU  24           HG1      GLU  24 -11.263  12.356   0.536
  174    H    ASP  25           HN       ASP  25  -9.299   9.472   0.106
  175    HA   ASP  25           HA       ASP  25 -10.281   9.834   2.829
  176    HB2  ASP  25           HB2      ASP  25 -11.629   8.599   1.169
  177    HB3  ASP  25           HB1      ASP  25 -10.347   7.413   1.044
  178    H    VAL  26           HN       VAL  26  -7.762   8.325   1.062
  179    HA   VAL  26           HA       VAL  26  -6.944   6.580   3.165
  180    HB   VAL  26           HB       VAL  26  -5.491   7.306   0.608
  181   HG11  VAL  26          HG11      VAL  26  -4.309   5.179   0.927
  182   HG12  VAL  26          HG12      VAL  26  -5.139   4.950   2.466
  183   HG13  VAL  26          HG13      VAL  26  -4.014   6.294   2.261
  184   HG21  VAL  26          HG21      VAL  26  -7.369   5.016   1.192
  185   HG22  VAL  26          HG22      VAL  26  -6.444   5.229  -0.296
  186   HG23  VAL  26          HG23      VAL  26  -7.698   6.389   0.136
  187    H    LYS  27           HN       LYS  27  -6.597   8.086   4.873
  188    HA   LYS  27           HA       LYS  27  -4.058   9.483   4.710
  189    HB2  LYS  27           HB2      LYS  27  -6.072   9.209   6.967
  190    HB3  LYS  27           HB1      LYS  27  -4.523  10.005   7.159
  191    HG2  LYS  27           HG2      LYS  27  -6.082  11.737   6.861
  192    HG3  LYS  27           HG1      LYS  27  -5.260  11.545   5.308
  193    HD2  LYS  27           HD2      LYS  27  -7.132  10.299   4.435
  194    HD3  LYS  27           HD1      LYS  27  -7.948  10.394   5.995
  195    HE2  LYS  27           HE2      LYS  27  -7.221  12.733   4.236
  196    HE3  LYS  27           HE1      LYS  27  -8.826  12.026   4.392
  197    HZ1  LYS  27           HZ1      LYS  27  -7.289  13.480   6.483
  198    HZ2  LYS  27           HZ2      LYS  27  -8.670  12.581   6.805
  199    HZ3  LYS  27           HZ3      LYS  27  -8.765  13.914   5.761
  200    H    LEU  28           HN       LEU  28  -2.945   8.872   7.216
  201    HA   LEU  28           HA       LEU  28  -1.754   6.381   6.492
  202    HB2  LEU  28           HB2      LEU  28  -1.356   8.103   8.946
  203    HB3  LEU  28           HB1      LEU  28  -0.460   6.638   8.636
  204    HG   LEU  28           HG       LEU  28   0.954   8.412   8.073
  205   HD11  LEU  28          HD11      LEU  28   1.076   6.604   6.526
  206   HD12  LEU  28          HD12      LEU  28   1.384   8.132   5.700
  207   HD13  LEU  28          HD13      LEU  28  -0.180   7.334   5.522
  208   HD21  LEU  28          HD21      LEU  28  -0.657  10.229   7.911
  209   HD22  LEU  28          HD22      LEU  28  -1.257   9.585   6.384
  210   HD23  LEU  28          HD23      LEU  28   0.389  10.210   6.491
  211    H    ASP  29           HN       ASP  29  -4.165   7.335   8.729
  212    HA   ASP  29           HA       ASP  29  -4.122   4.907  10.310
  213    HB2  ASP  29           HB2      ASP  29  -5.971   7.306  10.285
  214    HB3  ASP  29           HB1      ASP  29  -6.166   5.952  11.388
  215    H    LYS  30           HN       LYS  30  -4.530   4.442   7.588
  216    HA   LYS  30           HA       LYS  30  -7.264   3.338   7.506
  217    HB2  LYS  30           HB2      LYS  30  -5.581   4.458   5.264
  218    HB3  LYS  30           HB1      LYS  30  -7.054   3.537   5.007
  219    HG2  LYS  30           HG2      LYS  30  -7.038   6.024   6.677
  220    HG3  LYS  30           HG1      LYS  30  -7.183   6.091   4.920
  221    HD2  LYS  30           HD2      LYS  30  -9.194   4.749   5.001
  222    HD3  LYS  30           HD1      LYS  30  -9.013   4.523   6.742
  223    HE2  LYS  30           HE2      LYS  30  -9.479   6.782   7.190
  224    HE3  LYS  30           HE1      LYS  30  -9.236   7.244   5.509
  225    HZ1  LYS  30           HZ1      LYS  30 -11.228   6.226   4.886
  226    HZ2  LYS  30           HZ2      LYS  30 -11.626   7.114   6.287
  227    HZ3  LYS  30           HZ3      LYS  30 -11.442   5.451   6.369
  228    H    SER  31           HN       SER  31  -7.220   1.209   7.574
  229    HA   SER  31           HA       SER  31  -4.895  -0.257   6.601
  230    HB2  SER  31           HB2      SER  31  -5.318  -0.717   8.852
  231    HB3  SER  31           HB1      SER  31  -7.066  -0.953   8.626
  232    HG   SER  31           HG       SER  31  -5.891  -2.871   8.918
  233    H    PHE  32           HN       PHE  32  -5.204  -1.979   5.217
  234    HA   PHE  32           HA       PHE  32  -6.776  -1.221   3.038
  235    HB2  PHE  32           HB2      PHE  32  -5.258  -3.773   3.507
  236    HB3  PHE  32           HB1      PHE  32  -5.972  -3.304   1.967
  237    HD1  PHE  32           HD2      PHE  32  -5.045  -1.462   0.675
  238    HD2  PHE  32           HD1      PHE  32  -3.289  -2.674   4.353
  239    HE1  PHE  32           HE2      PHE  32  -3.022  -0.186   0.122
  240    HE2  PHE  32           HE1      PHE  32  -1.259  -1.400   3.807
  241    HZ   PHE  32           HZ       PHE  32  -1.129  -0.148   1.684
  242    H    THR  33           HN       THR  33  -7.329  -3.921   5.257
  243    HA   THR  33           HA       THR  33  -9.941  -3.971   4.008
  244    HB   THR  33           HB       THR  33  -8.744  -5.905   3.327
  245    HG1  THR  33           HG1      THR  33 -11.072  -6.099   4.613
  246   HG21  THR  33          HG21      THR  33  -7.110  -6.114   5.097
  247   HG22  THR  33          HG22      THR  33  -7.944  -7.656   4.897
  248   HG23  THR  33          HG23      THR  33  -8.364  -6.591   6.240
  249    H    ASP  34           HN       ASP  34  -9.361  -2.383   6.059
  250    HA   ASP  34           HA       ASP  34 -11.260  -3.438   8.030
  251    HB2  ASP  34           HB2      ASP  34  -8.950  -3.506   9.028
  252    HB3  ASP  34           HB1      ASP  34  -8.868  -1.759   8.802
  253    H    ASP  35           HN       ASP  35  -9.398  -0.579   7.275
  254    HA   ASP  35           HA       ASP  35 -11.673   1.157   7.718
  255    HB2  ASP  35           HB2      ASP  35  -8.883   1.813   6.746
  256    HB3  ASP  35           HB1      ASP  35 -10.107   2.969   7.244
  257    H    LEU  36           HN       LEU  36  -9.727  -0.174   5.128
  258    HA   LEU  36           HA       LEU  36 -11.010   1.536   3.185
  259    HB2  LEU  36           HB2      LEU  36  -8.781  -0.480   2.918
  260    HB3  LEU  36           HB1      LEU  36  -9.367   0.554   1.637
  261    HG   LEU  36           HG       LEU  36  -7.975   1.470   4.144
  262   HD11  LEU  36          HD11      LEU  36  -7.095   1.443   1.263
  263   HD12  LEU  36          HD12      LEU  36  -6.487   0.387   2.540
  264   HD13  LEU  36          HD13      LEU  36  -6.189   2.126   2.613
  265   HD21  LEU  36          HD21      LEU  36  -8.054   3.676   3.115
  266   HD22  LEU  36          HD22      LEU  36  -9.670   2.997   3.411
  267   HD23  LEU  36          HD23      LEU  36  -9.003   2.989   1.779
  268    H    ASP  37           HN       ASP  37 -11.884   0.585   1.275
  269    HA   ASP  37           HA       ASP  37 -13.518  -1.773   1.916
  270    HB2  ASP  37           HB2      ASP  37 -14.609   0.362   1.161
  271    HB3  ASP  37           HB1      ASP  37 -13.760   0.224  -0.369
  272    H    VAL  38           HN       VAL  38 -10.901  -2.339   1.439
  273    HA   VAL  38           HA       VAL  38 -10.622  -3.115  -1.364
  274    HB   VAL  38           HB       VAL  38  -8.562  -3.173   0.840
  275   HG11  VAL  38          HG11      VAL  38  -8.041  -4.677  -0.991
  276   HG12  VAL  38          HG12      VAL  38  -6.940  -3.300  -0.999
  277   HG13  VAL  38          HG13      VAL  38  -8.269  -3.373  -2.156
  278   HG21  VAL  38          HG21      VAL  38  -7.667  -1.131  -0.162
  279   HG22  VAL  38          HG22      VAL  38  -9.299  -0.902   0.467
  280   HG23  VAL  38          HG23      VAL  38  -9.037  -1.082  -1.268
  281    H    ASP  39           HN       ASP  39 -11.408  -5.107  -1.759
  282    HA   ASP  39           HA       ASP  39 -11.445  -7.307  -0.019
  283    HB2  ASP  39           HB2      ASP  39 -11.008  -7.253  -3.034
  284    HB3  ASP  39           HB1      ASP  39 -11.347  -8.702  -2.105
  285    H    SER  40           HN       SER  40  -9.738  -8.290   0.907
  286    HA   SER  40           HA       SER  40  -7.296  -7.186   0.219
  287    HB2  SER  40           HB2      SER  40  -6.404  -8.750   2.119
  288    HB3  SER  40           HB1      SER  40  -7.339  -7.273   2.392
  289    H    LEU  41           HN       LEU  41  -8.446 -10.327  -0.716
  290    HA   LEU  41           HA       LEU  41  -5.868 -11.155  -1.588
  291    HB2  LEU  41           HB2      LEU  41  -8.605 -11.922  -2.554
  292    HB3  LEU  41           HB1      LEU  41  -7.200 -12.410  -3.470
  293    HG   LEU  41           HG       LEU  41  -6.375 -13.606  -1.436
  294   HD11  LEU  41          HD11      LEU  41  -7.948 -14.121   0.330
  295   HD12  LEU  41          HD12      LEU  41  -9.118 -13.013  -0.389
  296   HD13  LEU  41          HD13      LEU  41  -7.595 -12.396   0.256
  297   HD21  LEU  41          HD21      LEU  41  -7.477 -14.778  -3.235
  298   HD22  LEU  41          HD22      LEU  41  -9.051 -14.434  -2.516
  299   HD23  LEU  41          HD23      LEU  41  -7.910 -15.483  -1.679
  300    H    SER  42           HN       SER  42  -8.014  -8.819  -2.786
  301    HA   SER  42           HA       SER  42  -6.823  -8.607  -5.376
  302    HB2  SER  42           HB2      SER  42  -8.707  -6.804  -3.899
  303    HB3  SER  42           HB1      SER  42  -8.444  -6.835  -5.655
  304    HG   SER  42           HG       SER  42 -10.060  -8.177  -5.594
  305    H    MET  43           HN       MET  43  -6.110  -7.480  -2.211
  306    HA   MET  43           HA       MET  43  -4.890  -4.957  -2.903
  307    HB2  MET  43           HB2      MET  43  -5.740  -5.833  -0.579
  308    HB3  MET  43           HB1      MET  43  -4.189  -6.636  -0.494
  309    HG2  MET  43           HG2      MET  43  -4.635  -3.657  -0.704
  310    HG3  MET  43           HG1      MET  43  -4.254  -4.537   0.763
  311    HE1  MET  43           HE1      MET  43  -1.898  -5.837   1.061
  312    HE2  MET  43           HE2      MET  43  -0.525  -5.646  -0.020
  313    HE3  MET  43           HE3      MET  43  -1.936  -6.572  -0.542
  314    H    VAL  44           HN       VAL  44  -4.022  -8.239  -2.977
  315    HA   VAL  44           HA       VAL  44  -1.219  -8.010  -3.022
  316    HB   VAL  44           HB       VAL  44  -2.915 -10.067  -4.463
  317   HG11  VAL  44          HG11      VAL  44  -0.047 -10.200  -3.545
  318   HG12  VAL  44          HG12      VAL  44  -0.600 -10.081  -5.216
  319   HG13  VAL  44          HG13      VAL  44  -0.962 -11.525  -4.269
  320   HG21  VAL  44          HG21      VAL  44  -1.804 -10.092  -1.655
  321   HG22  VAL  44          HG22      VAL  44  -2.636 -11.436  -2.441
  322   HG23  VAL  44          HG23      VAL  44  -3.495  -9.929  -2.119
  323    H    GLU  45           HN       GLU  45  -3.644  -7.395  -5.425
  324    HA   GLU  45           HA       GLU  45  -1.899  -7.277  -7.686
  325    HB2  GLU  45           HB2      GLU  45  -4.588  -5.938  -7.330
  326    HB3  GLU  45           HB1      GLU  45  -3.804  -6.358  -8.845
  327    HG2  GLU  45           HG2      GLU  45  -4.815  -8.323  -6.802
  328    HG3  GLU  45           HG1      GLU  45  -5.650  -7.863  -8.281
  329    H    VAL  46           HN       VAL  46  -2.830  -5.237  -5.114
  330    HA   VAL  46           HA       VAL  46  -2.086  -2.719  -6.279
  331    HB   VAL  46           HB       VAL  46  -2.544  -3.448  -3.365
  332   HG11  VAL  46          HG11      VAL  46  -2.885  -1.043  -3.008
  333   HG12  VAL  46          HG12      VAL  46  -2.464  -0.742  -4.693
  334   HG13  VAL  46          HG13      VAL  46  -1.258  -1.401  -3.588
  335   HG21  VAL  46          HG21      VAL  46  -4.779  -2.460  -3.641
  336   HG22  VAL  46          HG22      VAL  46  -4.551  -3.863  -4.684
  337   HG23  VAL  46          HG23      VAL  46  -4.460  -2.237  -5.362
  338    H    VAL  47           HN       VAL  47  -0.821  -4.680  -3.614
  339    HA   VAL  47           HA       VAL  47   1.508  -3.236  -3.202
  340    HB   VAL  47           HB       VAL  47   0.717  -4.887  -1.574
  341   HG11  VAL  47          HG11      VAL  47   1.154  -7.275  -1.816
  342   HG12  VAL  47          HG12      VAL  47   1.710  -6.998  -3.467
  343   HG13  VAL  47          HG13      VAL  47   0.029  -6.675  -3.038
  344   HG21  VAL  47          HG21      VAL  47   2.885  -5.836  -0.896
  345   HG22  VAL  47          HG22      VAL  47   3.012  -4.145  -1.385
  346   HG23  VAL  47          HG23      VAL  47   3.542  -5.420  -2.482
  347    H    VAL  48           HN       VAL  48   1.101  -5.938  -5.496
  348    HA   VAL  48           HA       VAL  48   3.860  -6.049  -6.128
  349    HB   VAL  48           HB       VAL  48   2.233  -7.914  -6.541
  350   HG11  VAL  48          HG11      VAL  48   0.391  -6.730  -7.494
  351   HG12  VAL  48          HG12      VAL  48   0.943  -7.967  -8.627
  352   HG13  VAL  48          HG13      VAL  48   1.358  -6.273  -8.896
  353   HG21  VAL  48          HG21      VAL  48   3.885  -7.085  -8.922
  354   HG22  VAL  48          HG22      VAL  48   3.247  -8.705  -8.644
  355   HG23  VAL  48          HG23      VAL  48   4.438  -8.024  -7.535
  356    H    ALA  49           HN       ALA  49   1.294  -4.016  -7.229
  357    HA   ALA  49           HA       ALA  49   2.784  -3.011  -9.506
  358    HB1  ALA  49           HB1      ALA  49   0.340  -3.198  -9.647
  359    HB2  ALA  49           HB2      ALA  49   0.859  -1.518  -9.822
  360    HB3  ALA  49           HB3      ALA  49   0.177  -2.077  -8.294
  361    H    ALA  50           HN       ALA  50   2.191  -2.281  -6.215
  362    HA   ALA  50           HA       ALA  50   2.984   0.428  -6.259
  363    HB1  ALA  50           HB1      ALA  50   1.608  -0.527  -4.459
  364    HB2  ALA  50           HB2      ALA  50   3.057   0.260  -3.828
  365    HB3  ALA  50           HB3      ALA  50   2.982  -1.499  -3.934
  366    H    GLU  51           HN       GLU  51   4.699  -2.582  -5.783
  367    HA   GLU  51           HA       GLU  51   7.131  -1.720  -4.827
  368    HB2  GLU  51           HB2      GLU  51   6.620  -3.869  -6.885
  369    HB3  GLU  51           HB1      GLU  51   8.151  -3.604  -6.069
  370    HG2  GLU  51           HG2      GLU  51   7.041  -4.070  -3.923
  371    HG3  GLU  51           HG1      GLU  51   5.566  -4.456  -4.815
  372    H    GLU  52           HN       GLU  52   6.288  -2.074  -8.241
  373    HA   GLU  52           HA       GLU  52   8.679  -0.949  -9.222
  374    HB2  GLU  52           HB2      GLU  52   7.371  -0.792 -11.391
  375    HB3  GLU  52           HB1      GLU  52   7.560  -2.390 -10.685
  376    HG2  GLU  52           HG2      GLU  52   5.346  -2.419  -9.915
  377    HG3  GLU  52           HG1      GLU  52   5.098  -0.713 -10.246
  378    H    ARG  53           HN       ARG  53   5.525   0.462  -8.562
  379    HA   ARG  53           HA       ARG  53   6.094   2.871  -9.962
  380    HB2  ARG  53           HB2      ARG  53   3.923   2.328  -7.936
  381    HB3  ARG  53           HB1      ARG  53   4.043   3.787  -8.906
  382    HG2  ARG  53           HG2      ARG  53   3.798   2.430 -10.944
  383    HG3  ARG  53           HG1      ARG  53   3.636   0.986  -9.943
  384    HD2  ARG  53           HD2      ARG  53   1.672   2.064  -8.842
  385    HD3  ARG  53           HD1      ARG  53   1.786   3.368 -10.022
  386    HE   ARG  53           HE       ARG  53   1.631   0.779 -11.243
  387   HH11  ARG  53          HH11      ARG  53  -0.376   3.455  -9.981
  388   HH12  ARG  53          HH12      ARG  53  -1.784   2.849 -10.742
  389   HH21  ARG  53          HH21      ARG  53  -0.316   0.059 -12.229
  390   HH22  ARG  53          HH22      ARG  53  -1.770   0.968 -11.999
  391    H    PHE  54           HN       PHE  54   6.384   1.980  -6.552
  392    HA   PHE  54           HA       PHE  54   7.172   4.719  -5.936
  393    HB2  PHE  54           HB2      PHE  54   6.818   2.357  -4.093
  394    HB3  PHE  54           HB1      PHE  54   7.178   4.006  -3.587
  395    HD1  PHE  54           HD2      PHE  54   5.509   5.758  -4.804
  396    HD2  PHE  54           HD1      PHE  54   4.671   1.720  -3.826
  397    HE1  PHE  54           HE2      PHE  54   3.117   6.271  -4.753
  398    HE2  PHE  54           HE1      PHE  54   2.277   2.225  -3.775
  399    HZ   PHE  54           HZ       PHE  54   1.500   4.498  -4.279
  400    H    ASP  55           HN       ASP  55   8.602   1.882  -6.857
  401    HA   ASP  55           HA       ASP  55  10.679   1.131  -7.092
  402    HB2  ASP  55           HB2      ASP  55  11.293   3.518  -7.694
  403    HB3  ASP  55           HB1      ASP  55  11.649   3.753  -5.977
  404    H    VAL  56           HN       VAL  56   9.805  -0.179  -5.430
  405    HA   VAL  56           HA       VAL  56  11.694  -0.480  -3.280
  406    HB   VAL  56           HB       VAL  56   9.898   1.021  -2.344
  407   HG11  VAL  56          HG11      VAL  56   8.006   0.321  -3.635
  408   HG12  VAL  56          HG12      VAL  56   7.653   0.154  -1.914
  409   HG13  VAL  56          HG13      VAL  56   8.039  -1.272  -2.878
  410   HG21  VAL  56          HG21      VAL  56  11.093  -0.430  -0.794
  411   HG22  VAL  56          HG22      VAL  56   9.958  -1.741  -1.109
  412   HG23  VAL  56          HG23      VAL  56   9.408  -0.272  -0.296
  413    H    LYS  57           HN       LYS  57  11.364  -2.668  -2.346
  414    HA   LYS  57           HA       LYS  57   9.512  -4.295  -3.888
  415    HB2  LYS  57           HB2      LYS  57  12.338  -5.095  -3.199
  416    HB3  LYS  57           HB1      LYS  57  11.104  -6.238  -3.713
  417    HG2  LYS  57           HG2      LYS  57  10.856  -4.712  -5.768
  418    HG3  LYS  57           HG1      LYS  57  12.416  -4.056  -5.275
  419    HD2  LYS  57           HD2      LYS  57  12.718  -5.824  -6.913
  420    HD3  LYS  57           HD1      LYS  57  13.372  -6.319  -5.348
  421    HE2  LYS  57           HE2      LYS  57  12.093  -8.130  -6.428
  422    HE3  LYS  57           HE1      LYS  57  11.380  -7.637  -4.894
  423    HZ1  LYS  57           HZ1      LYS  57   9.647  -6.445  -6.077
  424    HZ2  LYS  57           HZ2      LYS  57   9.761  -8.004  -6.720
  425    HZ3  LYS  57           HZ3      LYS  57  10.431  -6.714  -7.560
  426    H    ILE  58           HN       ILE  58   8.321  -5.614  -2.838
  427    HA   ILE  58           HA       ILE  58   8.732  -5.766   0.062
  428    HB   ILE  58           HB       ILE  58   6.055  -5.372  -1.332
  429   HG12  ILE  58          HG12      ILE  58   7.613  -3.408   0.371
  430   HG13  ILE  58          HG11      ILE  58   7.565  -3.367  -1.383
  431   HG21  ILE  58          HG21      ILE  58   5.186  -5.066   0.954
  432   HG22  ILE  58          HG22      ILE  58   6.789  -5.402   1.608
  433   HG23  ILE  58          HG23      ILE  58   5.904  -6.665   0.751
  434   HD11  ILE  58          HD11      ILE  58   5.176  -2.978  -1.311
  435   HD12  ILE  58          HD12      ILE  58   6.061  -1.745  -0.406
  436   HD13  ILE  58          HD13      ILE  58   5.210  -3.035   0.453
  437    HA   PRO  59           HA       PRO  59   8.414 -10.081  -1.295
  438    HB2  PRO  59           HB2      PRO  59   9.416 -10.581   1.416
  439    HB3  PRO  59           HB1      PRO  59  10.147 -10.998  -0.137
  440    HG2  PRO  59           HG2      PRO  59  11.188  -9.098   1.443
  441    HG3  PRO  59           HG1      PRO  59  11.224  -8.964  -0.326
  442    HD2  PRO  59           HD2      PRO  59   9.350  -7.681   1.635
  443    HD3  PRO  59           HD1      PRO  59  10.175  -6.959   0.234
  444    H    ASP  60           HN       ASP  60   7.219 -11.827  -0.655
  445    HA   ASP  60           HA       ASP  60   4.619 -11.556   0.138
  446    HB2  ASP  60           HB2      ASP  60   5.558 -13.560  -0.941
  447    HB3  ASP  60           HB1      ASP  60   6.354 -13.995   0.563
  448    H    ASP  61           HN       ASP  61   7.322 -12.366   2.217
  449    HA   ASP  61           HA       ASP  61   5.788 -12.852   4.572
  450    HB2  ASP  61           HB2      ASP  61   8.728 -12.185   4.314
  451    HB3  ASP  61           HB1      ASP  61   7.948 -12.676   5.811
  452    H    ASP  62           HN       ASP  62   7.059  -9.968   3.173
  453    HA   ASP  62           HA       ASP  62   6.559  -8.467   5.599
  454    HB2  ASP  62           HB2      ASP  62   7.596  -7.584   2.909
  455    HB3  ASP  62           HB1      ASP  62   7.228  -6.460   4.211
  456    H    VAL  63           HN       VAL  63   5.202  -8.910   2.441
  457    HA   VAL  63           HA       VAL  63   3.184  -6.985   2.395
  458    HB   VAL  63           HB       VAL  63   2.955  -9.860   1.410
  459   HG11  VAL  63          HG11      VAL  63   0.773  -8.781   1.538
  460   HG12  VAL  63          HG12      VAL  63   1.257  -9.001  -0.142
  461   HG13  VAL  63          HG13      VAL  63   1.378  -7.411   0.607
  462   HG21  VAL  63          HG21      VAL  63   3.841  -7.376  -0.057
  463   HG22  VAL  63          HG22      VAL  63   3.602  -8.966  -0.779
  464   HG23  VAL  63          HG23      VAL  63   4.870  -8.726   0.425
  465    H    LYS  64           HN       LYS  64   3.037 -10.268   3.679
  466    HA   LYS  64           HA       LYS  64   0.398 -10.014   4.732
  467    HB2  LYS  64           HB2      LYS  64   2.556 -12.056   5.204
  468    HB3  LYS  64           HB1      LYS  64   0.898 -12.204   5.780
  469    HG2  LYS  64           HG2      LYS  64   0.047 -12.291   3.576
  470    HG3  LYS  64           HG1      LYS  64   1.603 -11.824   2.891
  471    HD2  LYS  64           HD2      LYS  64   2.574 -13.917   3.633
  472    HD3  LYS  64           HD1      LYS  64   1.035 -14.378   4.371
  473    HE2  LYS  64           HE2      LYS  64  -0.044 -14.483   2.275
  474    HE3  LYS  64           HE1      LYS  64   1.313 -13.699   1.463
  475    HZ1  LYS  64           HZ1      LYS  64   2.654 -15.606   1.964
  476    HZ2  LYS  64           HZ2      LYS  64   1.324 -15.991   1.010
  477    HZ3  LYS  64           HZ3      LYS  64   1.322 -16.433   2.650
  478    H    ASN  65           HN       ASN  65   3.287  -8.788   5.885
  479    HA   ASN  65           HA       ASN  65   2.658  -9.208   8.701
  480    HB2  ASN  65           HB2      ASN  65   4.977  -9.544   8.040
  481    HB3  ASN  65           HB1      ASN  65   5.054  -7.919   7.383
  482   HD21  ASN  65          HD21      ASN  65   6.778  -7.388   8.703
  483   HD22  ASN  65          HD22      ASN  65   6.612  -7.099  10.387
  484    H    LEU  66           HN       LEU  66   2.543  -6.673   6.296
  485    HA   LEU  66           HA       LEU  66   2.498  -4.517   8.191
  486    HB2  LEU  66           HB2      LEU  66   1.630  -4.510   5.301
  487    HB3  LEU  66           HB1      LEU  66   2.016  -3.110   6.282
  488    HG   LEU  66           HG       LEU  66   3.963  -5.221   5.353
  489   HD11  LEU  66          HD11      LEU  66   4.936  -3.423   4.027
  490   HD12  LEU  66          HD12      LEU  66   3.642  -2.345   4.569
  491   HD13  LEU  66          HD13      LEU  66   3.261  -3.748   3.573
  492   HD21  LEU  66          HD21      LEU  66   4.455  -2.722   6.963
  493   HD22  LEU  66          HD22      LEU  66   5.698  -3.793   6.312
  494   HD23  LEU  66          HD23      LEU  66   4.586  -4.382   7.546
  495    H    LYS  67           HN       LYS  67   0.516  -2.901   7.917
  496    HA   LYS  67           HA       LYS  67  -1.958  -4.410   7.881
  497    HB2  LYS  67           HB2      LYS  67  -2.675  -3.572  10.112
  498    HB3  LYS  67           HB1      LYS  67  -1.335  -4.697  10.158
  499    HG2  LYS  67           HG2      LYS  67   0.155  -2.631  10.287
  500    HG3  LYS  67           HG1      LYS  67  -1.322  -1.746  10.641
  501    HD2  LYS  67           HD2      LYS  67  -0.187  -4.048  12.248
  502    HD3  LYS  67           HD1      LYS  67  -0.130  -2.351  12.693
  503    HE2  LYS  67           HE2      LYS  67  -1.870  -3.225  13.993
  504    HE3  LYS  67           HE1      LYS  67  -2.700  -2.455  12.648
  505    HZ1  LYS  67           HZ1      LYS  67  -2.113  -5.367  12.818
  506    HZ2  LYS  67           HZ2      LYS  67  -3.100  -4.653  11.665
  507    HZ3  LYS  67           HZ3      LYS  67  -3.572  -4.685  13.264
  508    H    THR  68           HN       THR  68  -1.105  -1.041   8.879
  509    HA   THR  68           HA       THR  68  -3.329  -0.178   7.242
  510    HB   THR  68           HB       THR  68  -2.752   2.069   8.210
  511    HG1  THR  68           HG1      THR  68  -1.339   1.972  10.059
  512   HG21  THR  68          HG21      THR  68  -3.403   1.470  10.569
  513   HG22  THR  68          HG22      THR  68  -3.364  -0.230  10.056
  514   HG23  THR  68          HG23      THR  68  -4.479   0.928   9.297
  515    H    VAL  69           HN       VAL  69  -2.768   1.995   6.062
  516    HA   VAL  69           HA       VAL  69  -0.571   1.468   4.332
  517    HB   VAL  69           HB       VAL  69  -1.093   3.624   3.233
  518   HG11  VAL  69          HG11      VAL  69  -3.549   1.990   3.834
  519   HG12  VAL  69          HG12      VAL  69  -2.367   1.671   2.563
  520   HG13  VAL  69          HG13      VAL  69  -3.375   3.120   2.491
  521   HG21  VAL  69          HG21      VAL  69  -1.700   4.915   5.194
  522   HG22  VAL  69          HG22      VAL  69  -3.155   3.939   5.394
  523   HG23  VAL  69          HG23      VAL  69  -2.979   4.978   3.982
  524    H    GLY  70           HN       GLY  70  -1.096   3.278   7.226
  525    HA2  GLY  70           HA2      GLY  70   1.234   4.888   7.124
  526    HA3  GLY  70           HA1      GLY  70   0.319   4.464   8.572
  527    H    ASP  71           HN       ASP  71   0.456   1.767   8.609
  528    HA   ASP  71           HA       ASP  71   2.977   1.227   9.716
  529    HB2  ASP  71           HB2      ASP  71   0.856   0.006  10.240
  530    HB3  ASP  71           HB1      ASP  71   0.934  -0.742   8.654
  531    H    ALA  72           HN       ALA  72   1.721   0.965   6.527
  532    HA   ALA  72           HA       ALA  72   3.782  -0.727   5.498
  533    HB1  ALA  72           HB1      ALA  72   1.531  -0.768   4.540
  534    HB2  ALA  72           HB2      ALA  72   2.739  -0.335   3.328
  535    HB3  ALA  72           HB3      ALA  72   1.713   0.911   4.038
  536    H    THR  73           HN       THR  73   2.955   2.749   5.305
  537    HA   THR  73           HA       THR  73   4.832   3.522   3.493
  538    HB   THR  73           HB       THR  73   4.852   5.784   4.588
  539    HG1  THR  73           HG1      THR  73   3.499   4.436   6.599
  540   HG21  THR  73          HG21      THR  73   2.179   4.577   3.908
  541   HG22  THR  73          HG22      THR  73   3.327   5.317   2.787
  542   HG23  THR  73          HG23      THR  73   2.517   6.304   4.001
  543    H    LYS  74           HN       LYS  74   5.374   3.018   6.933
  544    HA   LYS  74           HA       LYS  74   7.950   4.149   7.032
  545    HB2  LYS  74           HB2      LYS  74   6.491   3.479   9.021
  546    HB3  LYS  74           HB1      LYS  74   6.951   1.821   8.704
  547    HG2  LYS  74           HG2      LYS  74   8.906   4.026   9.409
  548    HG3  LYS  74           HG1      LYS  74   8.197   2.923  10.576
  549    HD2  LYS  74           HD2      LYS  74   9.288   1.028   9.427
  550    HD3  LYS  74           HD1      LYS  74   9.987   2.148   8.257
  551    HE2  LYS  74           HE2      LYS  74  11.167   3.288  10.095
  552    HE3  LYS  74           HE1      LYS  74  10.492   2.126  11.230
  553    HZ1  LYS  74           HZ1      LYS  74  12.714   1.500  10.670
  554    HZ2  LYS  74           HZ2      LYS  74  12.432   1.522   9.028
  555    HZ3  LYS  74           HZ3      LYS  74  11.672   0.359  10.014
  556    H    TYR  75           HN       TYR  75   6.878   0.772   6.568
  557    HA   TYR  75           HA       TYR  75   9.446  -0.308   6.224
  558    HB2  TYR  75           HB2      TYR  75   7.567  -1.804   6.649
  559    HB3  TYR  75           HB1      TYR  75   6.805  -1.334   5.129
  560    HD1  TYR  75           HD1      TYR  75   9.713  -3.133   6.584
  561    HD2  TYR  75           HD2      TYR  75   7.436  -2.351   3.074
  562    HE1  TYR  75           HE1      TYR  75  10.836  -4.996   5.451
  563    HE2  TYR  75           HE2      TYR  75   8.561  -4.211   1.931
  564    HH   TYR  75           HH       TYR  75  10.798  -5.421   2.175
  565    H    ILE  76           HN       ILE  76   7.138   0.898   3.875
  566    HA   ILE  76           HA       ILE  76   8.526   0.294   1.521
  567    HB   ILE  76           HB       ILE  76   6.760   2.713   2.053
  568   HG12  ILE  76          HG12      ILE  76   6.014   0.031   0.876
  569   HG13  ILE  76          HG11      ILE  76   5.722   0.487   2.552
  570   HG21  ILE  76          HG21      ILE  76   6.387   2.682  -0.374
  571   HG22  ILE  76          HG22      ILE  76   7.519   1.340  -0.532
  572   HG23  ILE  76          HG23      ILE  76   8.094   2.919   0.002
  573   HD11  ILE  76          HD11      ILE  76   3.724   0.757   1.201
  574   HD12  ILE  76          HD12      ILE  76   4.597   1.861   0.129
  575   HD13  ILE  76          HD13      ILE  76   4.309   2.307   1.809
  576    H    LEU  77           HN       LEU  77   8.396   3.465   3.165
  577    HA   LEU  77           HA       LEU  77  10.354   4.788   1.709
  578    HB2  LEU  77           HB2      LEU  77   8.701   5.790   3.235
  579    HB3  LEU  77           HB1      LEU  77   9.616   5.084   4.551
  580    HG   LEU  77           HG       LEU  77  11.523   6.558   3.999
  581   HD11  LEU  77          HD11      LEU  77   9.618   7.777   2.008
  582   HD12  LEU  77          HD12      LEU  77  11.080   6.869   1.629
  583   HD13  LEU  77          HD13      LEU  77  11.195   8.423   2.457
  584   HD21  LEU  77          HD21      LEU  77   9.902   7.224   5.695
  585   HD22  LEU  77          HD22      LEU  77   8.913   8.000   4.457
  586   HD23  LEU  77          HD23      LEU  77  10.522   8.627   4.825
  587    H    ASP  78           HN       ASP  78  10.641   2.591   4.337
  588    HA   ASP  78           HA       ASP  78  13.353   3.151   5.089
  589    HB2  ASP  78           HB2      ASP  78  11.640   2.109   6.575
  590    HB3  ASP  78           HB1      ASP  78  11.694   0.673   5.571
  591    H    HIS  79           HN       HIS  79  11.765   0.746   3.065
  592    HA   HIS  79           HA       HIS  79  14.269  -0.655   2.551
  593    HB2  HIS  79           HB2      HIS  79  11.958  -1.727   3.034
  594    HB3  HIS  79           HB1      HIS  79  11.595  -1.345   1.358
  595    HD1  HIS  79           HD1      HIS  79  12.879  -2.765  -0.472
  596    HD2  HIS  79           HD2      HIS  79  13.706  -3.853   3.442
  597    HE1  HIS  79           HE1      HIS  79  13.957  -4.995  -0.614
  598    HE2  HIS  79           HE2      HIS  79  14.162  -5.744   1.759
  599    H    GLN  80           HN       GLN  80  12.284   1.703   1.013
  600    HA   GLN  80           HA       GLN  80  12.606   1.244  -1.693
  601    HB2  GLN  80           HB2      GLN  80  12.350   3.786  -0.169
  602    HB3  GLN  80           HB1      GLN  80  12.556   3.787  -1.912
  603    HG2  GLN  80           HG2      GLN  80  10.557   2.459  -2.157
  604    HG3  GLN  80           HG1      GLN  80  10.365   2.414  -0.405
  605   HE21  GLN  80          HE21      GLN  80  11.304   5.233  -0.140
  606   HE22  GLN  80          HE22      GLN  80   9.925   6.125  -0.650
  607    H    ALA  81           HN       ALA  81  14.181   1.119  -3.030
  608    HA   ALA  81           HA       ALA  81  16.003   2.788  -3.806
  609    HB1  ALA  81           HB1      ALA  81  17.243   0.981  -1.704
  610    HB2  ALA  81           HB2      ALA  81  17.137   2.748  -1.636
  611    HB3  ALA  81           HB3      ALA  81  18.142   1.972  -2.870
  612    H28  SXO 101          H28B      SXO 101  -6.013  -9.827   3.776
  613   H28A  SXO 101          H28A      SXO 101  -4.900 -10.767   2.796
  614    H30  SXO 101          H30A      SXO 101  -6.900 -10.732   5.713
  615   H30A  SXO 101          H30C      SXO 101  -7.707 -11.989   4.776
  616   H30B  SXO 101          H30B      SXO 101  -6.729 -12.430   6.200
  617    H31  SXO 101          H31A      SXO 101  -5.298 -13.917   4.769
  618   H31A  SXO 101          H31B      SXO 101  -4.556 -13.203   3.327
  619   H31B  SXO 101          H31C      SXO 101  -6.299 -13.475   3.378
  620    H32  SXO 101          H32A      SXO 101  -4.590 -10.455   5.895
  621   HO33  SXO 101          H33A      SXO 101  -3.383 -12.625   6.516
  622   HN36  SXO 101          H36A      SXO 101  -3.674 -10.047   3.571
  623    H37  SXO 101          H37A      SXO 101  -1.130  -9.547   3.594
  624   H37A  SXO 101          H37B      SXO 101  -1.113 -11.253   3.107
  625    H38  SXO 101          H38B      SXO 101  -2.377 -10.746   1.148
  626   H38A  SXO 101          H38A      SXO 101  -0.996  -9.649   1.204
  627   HN41  SXO 101          H41A      SXO 101  -2.886  -8.508   3.397
  628    H42  SXO 101          H42A      SXO 101  -3.799  -6.119   2.106
  629   H42A  SXO 101          H42B      SXO 101  -5.103  -7.243   2.245
  630    H43  SXO 101          H43B      SXO 101  -5.454  -6.096   4.056
  631   H43A  SXO 101          H43A      SXO 101  -4.587  -7.440   4.753
  632    H2   SXO 101           H2A      SXO 101   0.191  -6.185   4.617
  633    H2A  SXO 101           H2B      SXO 101  -0.596  -4.772   5.328
  634    H3   SXO 101           H3B      SXO 101  -0.702  -5.648   2.462
  635    H3A  SXO 101           H3A      SXO 101  -1.549  -4.247   3.122
  636    H4   SXO 101           H4A      SXO 101   1.443  -4.655   2.976
  637    H4A  SXO 101           H4B      SXO 101   0.635  -3.254   3.694
  638    H5   SXO 101           H5B      SXO 101   0.370  -4.168   0.832
  639    H5A  SXO 101           H5A      SXO 101  -0.431  -2.778   1.551
  640    H6   SXO 101           H6A      SXO 101   2.536  -3.149   1.196
  641    H6A  SXO 101           H6B      SXO 101   1.759  -1.754   1.956
  642    H7   SXO 101           H7A      SXO 101   0.571  -1.273  -0.136
  643    H7A  SXO 101           H7B      SXO 101   1.329  -2.689  -0.890
  644    H8   SXO 101           H8C      SXO 101   2.759  -0.282   0.214
  645    H8A  SXO 101           H8A      SXO 101   2.478  -0.627  -1.492
  646    H8B  SXO 101           H8B      SXO 101   3.517  -1.687  -0.539
  Start of MODEL   14
    1    H1   ALA   1           HT1      ALA   1  12.865   8.430  -3.598
    2    H2   ALA   1           HT2      ALA   1  13.395   6.963  -4.270
    3    H3   ALA   1           HT3      ALA   1  12.109   6.982  -3.194
    4    HA   ALA   1           HA       ALA   1  12.092   8.234  -5.861
    5    HB1  ALA   1           HB1      ALA   1  10.611   5.815  -4.823
    6    HB2  ALA   1           HB2      ALA   1  11.973   5.787  -5.939
    7    HB3  ALA   1           HB3      ALA   1  10.444   6.519  -6.433
    8    H    ALA   2           HN       ALA   2  10.221   7.510  -2.859
    9    HA   ALA   2           HA       ALA   2   8.875  10.044  -3.068
   10    HB1  ALA   2           HB1      ALA   2   7.454   8.647  -4.514
   11    HB2  ALA   2           HB2      ALA   2   6.611   9.076  -3.026
   12    HB3  ALA   2           HB3      ALA   2   7.298   7.461  -3.219
   13    H    THR   3           HN       THR   3   7.845  10.567  -0.996
   14    HA   THR   3           HA       THR   3   8.682   8.683   1.067
   15    HB   THR   3           HB       THR   3   8.206  11.605   1.711
   16    HG1  THR   3           HG1      THR   3  10.489  10.399   0.462
   17   HG21  THR   3          HG21      THR   3   8.750   9.931   3.539
   18   HG22  THR   3          HG22      THR   3   9.963  11.192   3.365
   19   HG23  THR   3          HG23      THR   3  10.258   9.594   2.690
   20    H    GLN   4           HN       GLN   4   7.042  10.103   3.164
   21    HA   GLN   4           HA       GLN   4   5.203   8.055   3.216
   22    HB2  GLN   4           HB2      GLN   4   6.060   9.103   5.179
   23    HB3  GLN   4           HB1      GLN   4   5.278  10.616   4.756
   24    HG2  GLN   4           HG2      GLN   4   3.099   9.561   5.046
   25    HG3  GLN   4           HG1      GLN   4   3.895   8.046   5.473
   26   HE21  GLN   4          HE21      GLN   4   6.041   9.456   6.920
   27   HE22  GLN   4          HE22      GLN   4   5.344   9.944   8.407
   28    H    GLU   5           HN       GLU   5   4.428  11.511   2.679
   29    HA   GLU   5           HA       GLU   5   1.693  10.925   2.339
   30    HB2  GLU   5           HB2      GLU   5   3.186  13.389   1.433
   31    HB3  GLU   5           HB1      GLU   5   1.441  13.220   1.521
   32    HG2  GLU   5           HG2      GLU   5   1.851  14.334   3.484
   33    HG3  GLU   5           HG1      GLU   5   1.930  12.634   3.977
   34    H    GLU   6           HN       GLU   6   4.357  11.247   0.147
   35    HA   GLU   6           HA       GLU   6   2.823  11.114  -2.220
   36    HB2  GLU   6           HB2      GLU   6   5.718  10.522  -1.665
   37    HB3  GLU   6           HB1      GLU   6   5.015  10.457  -3.276
   38    HG2  GLU   6           HG2      GLU   6   5.071  12.869  -1.486
   39    HG3  GLU   6           HG1      GLU   6   6.135  12.580  -2.869
   40    H    ILE   7           HN       ILE   7   4.141   8.701  -0.077
   41    HA   ILE   7           HA       ILE   7   3.748   6.521  -1.824
   42    HB   ILE   7           HB       ILE   7   3.729   6.499   1.207
   43   HG12  ILE   7          HG12      ILE   7   5.860   7.259   0.403
   44   HG13  ILE   7          HG11      ILE   7   6.039   5.613   0.990
   45   HG21  ILE   7          HG21      ILE   7   2.635   4.508   0.322
   46   HG22  ILE   7          HG22      ILE   7   4.199   4.079   1.013
   47   HG23  ILE   7          HG23      ILE   7   4.013   4.199  -0.736
   48   HD11  ILE   7          HD11      ILE   7   7.270   6.091  -1.047
   49   HD12  ILE   7          HD12      ILE   7   5.758   6.381  -1.908
   50   HD13  ILE   7          HD13      ILE   7   6.124   4.776  -1.266
   51    H    VAL   8           HN       VAL   8   1.903   7.844   0.875
   52    HA   VAL   8           HA       VAL   8  -0.417   6.357   0.887
   53    HB   VAL   8           HB       VAL   8   0.009   9.321   1.408
   54   HG11  VAL   8          HG11      VAL   8  -2.123   9.308   2.590
   55   HG12  VAL   8          HG12      VAL   8  -2.405   7.647   2.080
   56   HG13  VAL   8          HG13      VAL   8  -2.354   8.941   0.881
   57   HG21  VAL   8          HG21      VAL   8   1.177   7.787   2.885
   58   HG22  VAL   8          HG22      VAL   8  -0.359   6.974   3.229
   59   HG23  VAL   8          HG23      VAL   8  -0.115   8.642   3.733
   60    H    ALA   9           HN       ALA   9   0.275   9.220  -1.082
   61    HA   ALA   9           HA       ALA   9  -2.181   9.360  -2.425
   62    HB1  ALA   9           HB1      ALA   9  -0.571  11.197  -2.361
   63    HB2  ALA   9           HB2      ALA   9  -1.023  10.793  -4.018
   64    HB3  ALA   9           HB3      ALA   9   0.533  10.265  -3.374
   65    H    GLY  10           HN       GLY  10   0.829   7.708  -3.243
   66    HA2  GLY  10           HA2      GLY  10  -0.002   6.858  -5.830
   67    HA3  GLY  10           HA1      GLY  10   1.372   6.231  -4.926
   68    H    LEU  11           HN       LEU  11  -0.055   5.420  -2.645
   69    HA   LEU  11           HA       LEU  11  -0.808   2.814  -3.282
   70    HB2  LEU  11           HB2      LEU  11  -1.516   4.513  -0.896
   71    HB3  LEU  11           HB1      LEU  11  -1.898   2.813  -1.013
   72    HG   LEU  11           HG       LEU  11   0.896   3.958  -1.047
   73   HD11  LEU  11          HD11      LEU  11  -0.635   2.575   1.152
   74   HD12  LEU  11          HD12      LEU  11  -0.166   4.273   1.121
   75   HD13  LEU  11          HD13      LEU  11   1.070   3.018   1.211
   76   HD21  LEU  11          HD21      LEU  11   0.705   1.849  -2.254
   77   HD22  LEU  11          HD22      LEU  11  -0.100   1.114  -0.866
   78   HD23  LEU  11          HD23      LEU  11   1.583   1.625  -0.740
   79    H    ALA  12           HN       ALA  12  -2.768   5.670  -2.674
   80    HA   ALA  12           HA       ALA  12  -5.207   4.295  -3.059
   81    HB1  ALA  12           HB1      ALA  12  -4.761   7.252  -3.221
   82    HB2  ALA  12           HB2      ALA  12  -4.993   6.335  -1.727
   83    HB3  ALA  12           HB3      ALA  12  -6.275   6.375  -2.953
   84    H    GLU  13           HN       GLU  13  -2.975   5.833  -5.231
   85    HA   GLU  13           HA       GLU  13  -4.724   6.136  -7.417
   86    HB2  GLU  13           HB2      GLU  13  -1.764   5.560  -7.391
   87    HB3  GLU  13           HB1      GLU  13  -2.678   5.913  -8.849
   88    HG2  GLU  13           HG2      GLU  13  -3.251   8.114  -7.919
   89    HG3  GLU  13           HG1      GLU  13  -2.264   7.744  -6.504
   90    H    ILE  14           HN       ILE  14  -2.719   3.397  -6.467
   91    HA   ILE  14           HA       ILE  14  -3.830   1.841  -8.583
   92    HB   ILE  14           HB       ILE  14  -2.231   0.875  -6.165
   93   HG12  ILE  14          HG12      ILE  14  -0.518   0.293  -7.974
   94   HG13  ILE  14          HG11      ILE  14  -1.485   1.255  -9.077
   95   HG21  ILE  14          HG21      ILE  14  -2.079  -1.287  -7.312
   96   HG22  ILE  14          HG22      ILE  14  -3.178  -0.667  -8.557
   97   HG23  ILE  14          HG23      ILE  14  -3.742  -0.851  -6.897
   98   HD11  ILE  14          HD11      ILE  14   0.421   2.489  -8.277
   99   HD12  ILE  14          HD12      ILE  14  -0.071   2.220  -6.611
  100   HD13  ILE  14          HD13      ILE  14  -1.067   3.224  -7.671
  101    H    VAL  15           HN       VAL  15  -4.489   2.109  -5.100
  102    HA   VAL  15           HA       VAL  15  -6.407   0.084  -5.175
  103    HB   VAL  15           HB       VAL  15  -6.226   2.309  -3.096
  104   HG11  VAL  15          HG11      VAL  15  -8.431   1.250  -3.124
  105   HG12  VAL  15          HG12      VAL  15  -7.526   0.818  -1.671
  106   HG13  VAL  15          HG13      VAL  15  -7.668  -0.334  -2.999
  107   HG21  VAL  15          HG21      VAL  15  -5.180   0.629  -1.698
  108   HG22  VAL  15          HG22      VAL  15  -4.222   0.881  -3.167
  109   HG23  VAL  15          HG23      VAL  15  -5.258  -0.541  -3.004
  110    H    ASN  16           HN       ASN  16  -6.677   3.373  -6.193
  111    HA   ASN  16           HA       ASN  16  -9.514   3.530  -6.192
  112    HB2  ASN  16           HB2      ASN  16  -8.266   5.597  -6.357
  113    HB3  ASN  16           HB1      ASN  16  -7.471   5.057  -7.830
  114   HD21  ASN  16          HD21      ASN  16 -10.473   6.269  -6.468
  115   HD22  ASN  16          HD22      ASN  16 -11.197   6.694  -7.974
  116    H    GLU  17           HN       GLU  17  -7.181   2.398  -8.597
  117    HA   GLU  17           HA       GLU  17  -9.322   1.955 -10.440
  118    HB2  GLU  17           HB2      GLU  17  -7.628   0.912 -11.928
  119    HB3  GLU  17           HB1      GLU  17  -7.203   2.533 -11.419
  120    HG2  GLU  17           HG2      GLU  17  -5.641   1.595  -9.782
  121    HG3  GLU  17           HG1      GLU  17  -6.074  -0.028 -10.321
  122    H    ILE  18           HN       ILE  18  -7.688   0.102  -8.062
  123    HA   ILE  18           HA       ILE  18  -8.751  -2.424  -8.962
  124    HB   ILE  18           HB       ILE  18  -7.407  -1.641  -6.362
  125   HG12  ILE  18          HG12      ILE  18  -5.926  -1.456  -8.281
  126   HG13  ILE  18          HG11      ILE  18  -5.453  -2.828  -7.289
  127   HG21  ILE  18          HG21      ILE  18  -8.821  -3.587  -5.982
  128   HG22  ILE  18          HG22      ILE  18  -7.116  -4.031  -5.914
  129   HG23  ILE  18          HG23      ILE  18  -8.073  -4.419  -7.347
  130   HD11  ILE  18          HD11      ILE  18  -7.010  -2.946  -9.859
  131   HD12  ILE  18          HD12      ILE  18  -6.563  -4.331  -8.864
  132   HD13  ILE  18          HD13      ILE  18  -5.306  -3.363  -9.650
  133    H    ALA  19           HN       ALA  19  -9.465  -0.305  -6.134
  134    HA   ALA  19           HA       ALA  19 -11.847  -1.974  -5.705
  135    HB1  ALA  19           HB1      ALA  19 -10.444  -0.219  -3.710
  136    HB2  ALA  19           HB2      ALA  19 -10.200  -1.953  -3.903
  137    HB3  ALA  19           HB3      ALA  19 -11.775  -1.340  -3.387
  138    H    GLY  20           HN       GLY  20 -10.908   1.195  -6.559
  139    HA2  GLY  20           HA2      GLY  20 -12.325   2.834  -7.416
  140    HA3  GLY  20           HA1      GLY  20 -13.701   1.929  -6.813
  141    H    ILE  21           HN       ILE  21 -11.079   2.728  -4.693
  142    HA   ILE  21           HA       ILE  21 -12.901   4.243  -3.061
  143    HB   ILE  21           HB       ILE  21 -10.928   4.504  -1.499
  144   HG12  ILE  21          HG12      ILE  21  -9.079   2.803  -1.822
  145   HG13  ILE  21          HG11      ILE  21  -9.625   2.627  -3.477
  146   HG21  ILE  21          HG21      ILE  21 -11.007   2.200  -0.705
  147   HG22  ILE  21          HG22      ILE  21 -11.799   1.727  -2.211
  148   HG23  ILE  21          HG23      ILE  21 -12.589   2.858  -1.106
  149   HD11  ILE  21          HD11      ILE  21  -9.055   4.979  -3.885
  150   HD12  ILE  21          HD12      ILE  21  -7.667   4.036  -3.342
  151   HD13  ILE  21          HD13      ILE  21  -8.490   5.118  -2.219
  152    HA   PRO  22           HA       PRO  22 -11.649   8.376  -4.189
  153    HB2  PRO  22           HB2      PRO  22 -11.655   8.996  -1.290
  154    HB3  PRO  22           HB1      PRO  22 -12.607   9.727  -2.586
  155    HG2  PRO  22           HG2      PRO  22 -13.729   8.105  -0.785
  156    HG3  PRO  22           HG1      PRO  22 -14.245   8.103  -2.482
  157    HD2  PRO  22           HD2      PRO  22 -12.486   6.172  -1.031
  158    HD3  PRO  22           HD1      PRO  22 -13.737   5.861  -2.254
  159    H    VAL  23           HN       VAL  23  -9.687   9.592  -4.119
  160    HA   VAL  23           HA       VAL  23  -7.484   8.013  -3.232
  161    HB   VAL  23           HB       VAL  23  -7.348   9.325  -5.339
  162   HG11  VAL  23          HG11      VAL  23  -7.194  11.746  -3.573
  163   HG12  VAL  23          HG12      VAL  23  -8.482  11.339  -4.702
  164   HG13  VAL  23          HG13      VAL  23  -6.865  11.713  -5.306
  165   HG21  VAL  23          HG21      VAL  23  -5.317   8.557  -4.310
  166   HG22  VAL  23          HG22      VAL  23  -5.241  10.000  -3.308
  167   HG23  VAL  23          HG23      VAL  23  -5.034  10.132  -5.065
  168    H    GLU  24           HN       GLU  24  -9.338  10.404  -1.793
  169    HA   GLU  24           HA       GLU  24  -7.362  11.141   0.202
  170    HB2  GLU  24           HB2      GLU  24  -9.155  12.452   1.201
  171    HB3  GLU  24           HB1      GLU  24  -9.057  12.765  -0.528
  172    HG2  GLU  24           HG2      GLU  24 -10.973  11.432  -0.966
  173    HG3  GLU  24           HG1      GLU  24 -10.994  10.816   0.686
  174    H    ASP  25           HN       ASP  25  -9.267   8.466  -0.319
  175    HA   ASP  25           HA       ASP  25 -10.262   8.108   2.360
  176    HB2  ASP  25           HB2      ASP  25 -11.508   7.263   0.400
  177    HB3  ASP  25           HB1      ASP  25 -10.168   6.178   0.060
  178    H    VAL  26           HN       VAL  26  -7.725   6.712   0.392
  179    HA   VAL  26           HA       VAL  26  -6.755   4.994   2.531
  180    HB   VAL  26           HB       VAL  26  -5.546   5.653  -0.174
  181   HG11  VAL  26          HG11      VAL  26  -4.881   3.428   1.754
  182   HG12  VAL  26          HG12      VAL  26  -3.867   4.826   1.392
  183   HG13  VAL  26          HG13      VAL  26  -4.197   3.625   0.141
  184   HG21  VAL  26          HG21      VAL  26  -6.397   3.468  -0.883
  185   HG22  VAL  26          HG22      VAL  26  -7.699   4.565  -0.411
  186   HG23  VAL  26          HG23      VAL  26  -7.188   3.281   0.682
  187    H    LYS  27           HN       LYS  27  -6.223   6.329   4.148
  188    HA   LYS  27           HA       LYS  27  -3.856   7.991   3.716
  189    HB2  LYS  27           HB2      LYS  27  -6.254   8.587   5.448
  190    HB3  LYS  27           HB1      LYS  27  -4.726   9.452   5.587
  191    HG2  LYS  27           HG2      LYS  27  -6.298   9.267   3.036
  192    HG3  LYS  27           HG1      LYS  27  -6.464  10.585   4.200
  193    HD2  LYS  27           HD2      LYS  27  -4.285  11.347   3.824
  194    HD3  LYS  27           HD1      LYS  27  -3.787   9.826   3.080
  195    HE2  LYS  27           HE2      LYS  27  -4.969  10.253   1.144
  196    HE3  LYS  27           HE1      LYS  27  -5.894  11.584   1.856
  197    HZ1  LYS  27           HZ1      LYS  27  -2.933  11.662   1.299
  198    HZ2  LYS  27           HZ2      LYS  27  -3.924  12.923   1.881
  199    HZ3  LYS  27           HZ3      LYS  27  -4.147  12.321   0.339
  200    H    LEU  28           HN       LEU  28  -2.989   8.506   6.134
  201    HA   LEU  28           HA       LEU  28  -1.603   6.177   6.765
  202    HB2  LEU  28           HB2      LEU  28  -1.950   8.701   8.379
  203    HB3  LEU  28           HB1      LEU  28  -0.866   7.412   8.831
  204    HG   LEU  28           HG       LEU  28   0.445   9.104   7.894
  205   HD11  LEU  28          HD11      LEU  28   1.178   6.966   7.257
  206   HD12  LEU  28          HD12      LEU  28   1.457   8.080   5.919
  207   HD13  LEU  28          HD13      LEU  28   0.106   6.945   5.858
  208   HD21  LEU  28          HD21      LEU  28  -1.310   9.145   5.432
  209   HD22  LEU  28          HD22      LEU  28   0.130  10.125   5.711
  210   HD23  LEU  28          HD23      LEU  28  -1.304  10.365   6.707
  211    H    ASP  29           HN       ASP  29  -4.496   7.489   8.170
  212    HA   ASP  29           HA       ASP  29  -4.455   5.884  10.537
  213    HB2  ASP  29           HB2      ASP  29  -6.622   6.886  10.999
  214    HB3  ASP  29           HB1      ASP  29  -5.465   8.115  10.507
  215    H    LYS  30           HN       LYS  30  -5.091   5.034   7.428
  216    HA   LYS  30           HA       LYS  30  -7.348   3.276   8.093
  217    HB2  LYS  30           HB2      LYS  30  -6.182   4.007   5.410
  218    HB3  LYS  30           HB1      LYS  30  -7.599   3.007   5.678
  219    HG2  LYS  30           HG2      LYS  30  -7.362   5.911   6.441
  220    HG3  LYS  30           HG1      LYS  30  -8.127   5.309   4.973
  221    HD2  LYS  30           HD2      LYS  30  -9.742   4.071   6.350
  222    HD3  LYS  30           HD1      LYS  30  -8.971   4.711   7.804
  223    HE2  LYS  30           HE2      LYS  30 -10.924   6.021   7.332
  224    HE3  LYS  30           HE1      LYS  30  -9.490   6.991   7.014
  225    HZ1  LYS  30           HZ1      LYS  30 -11.006   7.369   5.306
  226    HZ2  LYS  30           HZ2      LYS  30 -11.323   5.758   5.029
  227    HZ3  LYS  30           HZ3      LYS  30  -9.805   6.410   4.593
  228    H    SER  31           HN       SER  31  -7.108   1.093   8.065
  229    HA   SER  31           HA       SER  31  -4.644  -0.032   6.969
  230    HB2  SER  31           HB2      SER  31  -4.903  -0.716   9.204
  231    HB3  SER  31           HB1      SER  31  -6.616  -1.071   9.044
  232    HG   SER  31           HG       SER  31  -5.863  -3.040   8.749
  233    H    PHE  32           HN       PHE  32  -4.912  -2.000   5.592
  234    HA   PHE  32           HA       PHE  32  -6.633  -1.147   3.533
  235    HB2  PHE  32           HB2      PHE  32  -4.735  -3.457   3.708
  236    HB3  PHE  32           HB1      PHE  32  -5.739  -3.161   2.287
  237    HD1  PHE  32           HD1      PHE  32  -3.141  -1.653   4.455
  238    HD2  PHE  32           HD2      PHE  32  -5.117  -1.536   0.686
  239    HE1  PHE  32           HE1      PHE  32  -1.473  -0.050   3.637
  240    HE2  PHE  32           HE2      PHE  32  -3.449   0.077  -0.137
  241    HZ   PHE  32           HZ       PHE  32  -1.685   0.866   1.312
  242    H    THR  33           HN       THR  33  -6.882  -4.152   5.450
  243    HA   THR  33           HA       THR  33  -9.587  -3.973   4.437
  244    HB   THR  33           HB       THR  33  -8.518  -5.891   3.404
  245    HG1  THR  33           HG1      THR  33 -10.659  -6.321   5.161
  246   HG21  THR  33          HG21      THR  33  -8.121  -6.981   6.193
  247   HG22  THR  33          HG22      THR  33  -6.855  -6.471   5.077
  248   HG23  THR  33          HG23      THR  33  -7.839  -7.885   4.705
  249    H    ASP  34           HN       ASP  34  -8.980  -2.579   6.442
  250    HA   ASP  34           HA       ASP  34 -10.598  -3.754   8.622
  251    HB2  ASP  34           HB2      ASP  34  -8.149  -2.043   8.977
  252    HB3  ASP  34           HB1      ASP  34  -9.306  -2.330  10.259
  253    H    ASP  35           HN       ASP  35  -9.155  -0.850   7.248
  254    HA   ASP  35           HA       ASP  35 -11.517   0.672   8.093
  255    HB2  ASP  35           HB2      ASP  35  -8.793   1.629   7.245
  256    HB3  ASP  35           HB1      ASP  35 -10.142   2.668   7.682
  257    H    LEU  36           HN       LEU  36  -9.542  -0.280   5.383
  258    HA   LEU  36           HA       LEU  36 -11.150   1.328   3.601
  259    HB2  LEU  36           HB2      LEU  36  -8.949  -0.650   2.996
  260    HB3  LEU  36           HB1      LEU  36  -9.673   0.473   1.866
  261    HG   LEU  36           HG       LEU  36  -7.978   1.229   4.243
  262   HD11  LEU  36          HD11      LEU  36  -6.693   0.175   2.457
  263   HD12  LEU  36          HD12      LEU  36  -6.342   1.901   2.565
  264   HD13  LEU  36          HD13      LEU  36  -7.394   1.294   1.285
  265   HD21  LEU  36          HD21      LEU  36  -9.664   2.891   3.753
  266   HD22  LEU  36          HD22      LEU  36  -9.186   2.896   2.055
  267   HD23  LEU  36          HD23      LEU  36  -8.064   3.479   3.292
  268    H    ASP  37           HN       ASP  37 -12.255   0.283   1.877
  269    HA   ASP  37           HA       ASP  37 -13.509  -2.222   2.784
  270    HB2  ASP  37           HB2      ASP  37 -15.321  -1.785   1.199
  271    HB3  ASP  37           HB1      ASP  37 -15.030  -0.351   2.165
  272    H    VAL  38           HN       VAL  38 -10.947  -1.866   1.559
  273    HA   VAL  38           HA       VAL  38 -11.020  -3.256  -0.990
  274    HB   VAL  38           HB       VAL  38  -8.646  -2.424   0.676
  275   HG11  VAL  38          HG11      VAL  38  -8.123  -4.000  -1.086
  276   HG12  VAL  38          HG12      VAL  38  -7.452  -2.414  -1.464
  277   HG13  VAL  38          HG13      VAL  38  -8.913  -2.967  -2.277
  278   HG21  VAL  38          HG21      VAL  38 -10.031  -0.469   0.316
  279   HG22  VAL  38          HG22      VAL  38 -10.100  -0.806  -1.411
  280   HG23  VAL  38          HG23      VAL  38  -8.565  -0.366  -0.657
  281    H    ASP  39           HN       ASP  39 -11.598  -5.351  -0.524
  282    HA   ASP  39           HA       ASP  39 -10.839  -6.847   1.701
  283    HB2  ASP  39           HB2      ASP  39 -12.607  -7.588   0.155
  284    HB3  ASP  39           HB1      ASP  39 -11.405  -7.841  -1.108
  285    H    SER  40           HN       SER  40  -9.206  -8.451   1.958
  286    HA   SER  40           HA       SER  40  -6.695  -7.481   1.310
  287    HB2  SER  40           HB2      SER  40  -5.940  -9.575   2.414
  288    HB3  SER  40           HB1      SER  40  -7.143  -8.584   3.278
  289    H    LEU  41           HN       LEU  41  -8.575 -10.125  -0.116
  290    HA   LEU  41           HA       LEU  41  -6.424 -11.096  -1.648
  291    HB2  LEU  41           HB2      LEU  41  -9.400 -11.398  -2.048
  292    HB3  LEU  41           HB1      LEU  41  -8.237 -12.124  -3.131
  293    HG   LEU  41           HG       LEU  41  -7.337 -13.404  -1.151
  294   HD11  LEU  41          HD11      LEU  41  -8.180 -12.024   0.651
  295   HD12  LEU  41          HD12      LEU  41  -8.775 -13.679   0.796
  296   HD13  LEU  41          HD13      LEU  41  -9.837 -12.408   0.190
  297   HD21  LEU  41          HD21      LEU  41  -8.787 -14.422  -2.797
  298   HD22  LEU  41          HD22      LEU  41 -10.209 -13.849  -1.924
  299   HD23  LEU  41          HD23      LEU  41  -9.143 -15.045  -1.188
  300    H    SER  42           HN       SER  42  -8.511  -8.444  -1.991
  301    HA   SER  42           HA       SER  42  -8.090  -7.955  -4.784
  302    HB2  SER  42           HB2      SER  42  -9.219  -6.339  -2.538
  303    HB3  SER  42           HB1      SER  42  -9.338  -5.859  -4.251
  304    HG   SER  42           HG       SER  42 -11.212  -6.903  -3.836
  305    H    MET  43           HN       MET  43  -6.648  -7.009  -1.716
  306    HA   MET  43           HA       MET  43  -5.222  -4.720  -2.675
  307    HB2  MET  43           HB2      MET  43  -5.833  -5.346  -0.230
  308    HB3  MET  43           HB1      MET  43  -4.443  -6.410  -0.289
  309    HG2  MET  43           HG2      MET  43  -4.331  -3.429  -0.729
  310    HG3  MET  43           HG1      MET  43  -4.054  -4.214   0.817
  311    HE1  MET  43           HE1      MET  43  -2.338  -6.778  -0.079
  312    HE2  MET  43           HE2      MET  43  -1.875  -5.777   1.299
  313    HE3  MET  43           HE3      MET  43  -0.691  -6.164   0.064
  314    H    VAL  44           HN       VAL  44  -4.765  -8.036  -2.742
  315    HA   VAL  44           HA       VAL  44  -1.999  -8.327  -3.067
  316    HB   VAL  44           HB       VAL  44  -4.107  -9.980  -4.508
  317   HG11  VAL  44          HG11      VAL  44  -2.452 -11.786  -4.470
  318   HG12  VAL  44          HG12      VAL  44  -1.276 -10.692  -3.743
  319   HG13  VAL  44          HG13      VAL  44  -1.870 -10.389  -5.376
  320   HG21  VAL  44          HG21      VAL  44  -4.572  -9.912  -2.134
  321   HG22  VAL  44          HG22      VAL  44  -2.913 -10.374  -1.768
  322   HG23  VAL  44          HG23      VAL  44  -3.985 -11.510  -2.594
  323    H    GLU  45           HN       GLU  45  -4.440  -7.266  -5.347
  324    HA   GLU  45           HA       GLU  45  -2.772  -7.354  -7.670
  325    HB2  GLU  45           HB2      GLU  45  -5.301  -5.766  -7.179
  326    HB3  GLU  45           HB1      GLU  45  -4.562  -6.070  -8.745
  327    HG2  GLU  45           HG2      GLU  45  -5.771  -8.127  -6.909
  328    HG3  GLU  45           HG1      GLU  45  -6.478  -7.509  -8.399
  329    H    VAL  46           HN       VAL  46  -3.402  -5.174  -5.127
  330    HA   VAL  46           HA       VAL  46  -2.438  -2.763  -6.336
  331    HB   VAL  46           HB       VAL  46  -2.918  -3.462  -3.428
  332   HG11  VAL  46          HG11      VAL  46  -1.412  -1.565  -3.642
  333   HG12  VAL  46          HG12      VAL  46  -2.991  -1.039  -3.051
  334   HG13  VAL  46          HG13      VAL  46  -2.545  -0.768  -4.735
  335   HG21  VAL  46          HG21      VAL  46  -4.671  -2.035  -5.419
  336   HG22  VAL  46          HG22      VAL  46  -5.024  -2.237  -3.698
  337   HG23  VAL  46          HG23      VAL  46  -4.939  -3.649  -4.756
  338    H    VAL  47           HN       VAL  47  -1.247  -4.831  -3.695
  339    HA   VAL  47           HA       VAL  47   1.126  -3.506  -3.259
  340    HB   VAL  47           HB       VAL  47   0.262  -5.172  -1.690
  341   HG11  VAL  47          HG11      VAL  47   0.630  -7.573  -2.010
  342   HG12  VAL  47          HG12      VAL  47   1.172  -7.256  -3.661
  343   HG13  VAL  47          HG13      VAL  47  -0.488  -6.898  -3.196
  344   HG21  VAL  47          HG21      VAL  47   2.399  -6.206  -1.038
  345   HG22  VAL  47          HG22      VAL  47   2.573  -4.505  -1.472
  346   HG23  VAL  47          HG23      VAL  47   3.071  -5.758  -2.608
  347    H    VAL  48           HN       VAL  48   0.628  -6.107  -5.630
  348    HA   VAL  48           HA       VAL  48   3.394  -6.278  -6.246
  349    HB   VAL  48           HB       VAL  48   1.779  -8.131  -6.703
  350   HG11  VAL  48          HG11      VAL  48   0.846  -6.429  -8.994
  351   HG12  VAL  48          HG12      VAL  48  -0.085  -6.894  -7.571
  352   HG13  VAL  48          HG13      VAL  48   0.418  -8.121  -8.733
  353   HG21  VAL  48          HG21      VAL  48   2.747  -8.858  -8.853
  354   HG22  VAL  48          HG22      VAL  48   3.963  -8.192  -7.759
  355   HG23  VAL  48          HG23      VAL  48   3.367  -7.224  -9.105
  356    H    ALA  49           HN       ALA  49   0.903  -4.133  -7.239
  357    HA   ALA  49           HA       ALA  49   2.367  -3.134  -9.526
  358    HB1  ALA  49           HB1      ALA  49  -0.086  -3.167  -9.590
  359    HB2  ALA  49           HB2      ALA  49   0.516  -1.512  -9.703
  360    HB3  ALA  49           HB3      ALA  49  -0.145  -2.112  -8.181
  361    H    ALA  50           HN       ALA  50   1.872  -2.456  -6.183
  362    HA   ALA  50           HA       ALA  50   2.903   0.178  -6.203
  363    HB1  ALA  50           HB1      ALA  50   2.673  -1.733  -3.878
  364    HB2  ALA  50           HB2      ALA  50   1.413  -0.629  -4.429
  365    HB3  ALA  50           HB3      ALA  50   2.921   0.011  -3.774
  366    H    GLU  51           HN       GLU  51   4.348  -2.967  -5.982
  367    HA   GLU  51           HA       GLU  51   6.862  -2.454  -4.922
  368    HB2  GLU  51           HB2      GLU  51   6.260  -4.216  -7.298
  369    HB3  GLU  51           HB1      GLU  51   7.698  -4.291  -6.304
  370    HG2  GLU  51           HG2      GLU  51   6.335  -4.991  -4.400
  371    HG3  GLU  51           HG1      GLU  51   4.895  -4.916  -5.418
  372    H    GLU  52           HN       GLU  52   5.848  -2.250  -8.291
  373    HA   GLU  52           HA       GLU  52   8.324  -1.079  -9.123
  374    HB2  GLU  52           HB2      GLU  52   7.169  -0.875 -11.331
  375    HB3  GLU  52           HB1      GLU  52   7.237  -2.507 -10.681
  376    HG2  GLU  52           HG2      GLU  52   4.978  -2.468 -10.071
  377    HG3  GLU  52           HG1      GLU  52   4.828  -0.739 -10.341
  378    H    ARG  53           HN       ARG  53   5.156   0.061  -8.253
  379    HA   ARG  53           HA       ARG  53   5.189   2.597  -9.450
  380    HB2  ARG  53           HB2      ARG  53   3.222   1.395  -8.408
  381    HB3  ARG  53           HB1      ARG  53   3.845   1.889  -6.846
  382    HG2  ARG  53           HG2      ARG  53   2.100   3.391  -7.470
  383    HG3  ARG  53           HG1      ARG  53   3.629   4.265  -7.599
  384    HD2  ARG  53           HD2      ARG  53   3.655   3.966  -9.989
  385    HD3  ARG  53           HD1      ARG  53   2.236   2.927  -9.911
  386    HE   ARG  53           HE       ARG  53   1.908   5.636  -8.914
  387   HH11  ARG  53          HH11      ARG  53   1.383   3.300 -11.553
  388   HH12  ARG  53          HH12      ARG  53   0.334   4.300 -12.432
  389   HH21  ARG  53          HH21      ARG  53   0.339   7.033 -10.183
  390   HH22  ARG  53          HH22      ARG  53  -0.201   6.443 -11.671
  391    H    PHE  54           HN       PHE  54   6.212   1.544  -6.203
  392    HA   PHE  54           HA       PHE  54   7.176   4.257  -5.756
  393    HB2  PHE  54           HB2      PHE  54   6.738   2.048  -3.761
  394    HB3  PHE  54           HB1      PHE  54   7.242   3.696  -3.377
  395    HD1  PHE  54           HD2      PHE  54   5.649   5.526  -4.379
  396    HD2  PHE  54           HD1      PHE  54   4.568   1.500  -3.581
  397    HE1  PHE  54           HE2      PHE  54   3.302   6.190  -4.240
  398    HE2  PHE  54           HE1      PHE  54   2.212   2.160  -3.443
  399    HZ   PHE  54           HZ       PHE  54   1.567   4.445  -3.776
  400    H    ASP  55           HN       ASP  55   8.405   1.600  -7.027
  401    HA   ASP  55           HA       ASP  55  10.500   0.765  -7.413
  402    HB2  ASP  55           HB2      ASP  55  10.989   3.207  -7.702
  403    HB3  ASP  55           HB1      ASP  55  11.423   3.290  -6.001
  404    H    VAL  56           HN       VAL  56   9.165  -0.196  -5.226
  405    HA   VAL  56           HA       VAL  56  11.329  -0.822  -3.390
  406    HB   VAL  56           HB       VAL  56  10.057   0.838  -2.275
  407   HG11  VAL  56          HG11      VAL  56   7.967   0.624  -3.503
  408   HG12  VAL  56          HG12      VAL  56   7.671   0.641  -1.761
  409   HG13  VAL  56          HG13      VAL  56   7.600  -0.879  -2.658
  410   HG21  VAL  56          HG21      VAL  56  10.894  -0.930  -0.868
  411   HG22  VAL  56          HG22      VAL  56   9.436  -1.883  -1.145
  412   HG23  VAL  56          HG23      VAL  56   9.343  -0.368  -0.241
  413    H    LYS  57           HN       LYS  57  11.682  -2.773  -3.871
  414    HA   LYS  57           HA       LYS  57   9.662  -4.686  -4.587
  415    HB2  LYS  57           HB2      LYS  57  11.933  -4.953  -5.458
  416    HB3  LYS  57           HB1      LYS  57  12.562  -5.106  -3.823
  417    HG2  LYS  57           HG2      LYS  57  11.375  -7.209  -3.536
  418    HG3  LYS  57           HG1      LYS  57  10.656  -7.043  -5.136
  419    HD2  LYS  57           HD2      LYS  57  12.570  -8.586  -5.143
  420    HD3  LYS  57           HD1      LYS  57  12.856  -7.176  -6.163
  421    HE2  LYS  57           HE2      LYS  57  14.199  -6.159  -4.388
  422    HE3  LYS  57           HE1      LYS  57  13.885  -7.545  -3.348
  423    HZ1  LYS  57           HZ1      LYS  57  15.271  -7.709  -5.970
  424    HZ2  LYS  57           HZ2      LYS  57  15.085  -8.954  -4.835
  425    HZ3  LYS  57           HZ3      LYS  57  16.062  -7.613  -4.482
  426    H    ILE  58           HN       ILE  58   8.211  -4.803  -3.017
  427    HA   ILE  58           HA       ILE  58   8.969  -5.277  -0.264
  428    HB   ILE  58           HB       ILE  58   6.232  -5.066  -1.561
  429   HG12  ILE  58          HG12      ILE  58   7.767  -3.046   0.086
  430   HG13  ILE  58          HG11      ILE  58   7.572  -2.991  -1.661
  431   HG21  ILE  58          HG21      ILE  58   6.124  -6.371   0.484
  432   HG22  ILE  58          HG22      ILE  58   5.374  -4.795   0.724
  433   HG23  ILE  58          HG23      ILE  58   6.986  -5.110   1.367
  434   HD11  ILE  58          HD11      ILE  58   5.362  -2.796   0.371
  435   HD12  ILE  58          HD12      ILE  58   5.168  -2.721  -1.381
  436   HD13  ILE  58          HD13      ILE  58   6.067  -1.458  -0.537
  437    HA   PRO  59           HA       PRO  59   8.902  -9.691  -1.170
  438    HB2  PRO  59           HB2      PRO  59   9.356  -9.817   1.755
  439    HB3  PRO  59           HB1      PRO  59  10.315 -10.513   0.442
  440    HG2  PRO  59           HG2      PRO  59  11.204  -8.415   1.805
  441    HG3  PRO  59           HG1      PRO  59  11.458  -8.535   0.053
  442    HD2  PRO  59           HD2      PRO  59   9.423  -6.949   1.568
  443    HD3  PRO  59           HD1      PRO  59  10.415  -6.465   0.174
  444    H    ASP  60           HN       ASP  60   7.402 -11.247  -0.838
  445    HA   ASP  60           HA       ASP  60   4.786 -10.605  -0.130
  446    HB2  ASP  60           HB2      ASP  60   6.086 -13.341  -0.204
  447    HB3  ASP  60           HB1      ASP  60   4.356 -13.083  -0.047
  448    H    ASP  61           HN       ASP  61   7.348 -11.906   1.804
  449    HA   ASP  61           HA       ASP  61   5.891 -12.603   4.116
  450    HB2  ASP  61           HB2      ASP  61   8.761 -11.688   3.854
  451    HB3  ASP  61           HB1      ASP  61   8.061 -12.267   5.356
  452    H    ASP  62           HN       ASP  62   7.423  -9.571   3.163
  453    HA   ASP  62           HA       ASP  62   6.772  -8.226   5.591
  454    HB2  ASP  62           HB2      ASP  62   7.842  -7.240   2.964
  455    HB3  ASP  62           HB1      ASP  62   7.339  -6.119   4.221
  456    H    VAL  63           HN       VAL  63   5.208  -8.615   2.546
  457    HA   VAL  63           HA       VAL  63   3.259  -6.592   2.750
  458    HB   VAL  63           HB       VAL  63   2.912  -9.371   1.562
  459   HG11  VAL  63          HG11      VAL  63   1.192  -8.336   0.152
  460   HG12  VAL  63          HG12      VAL  63   1.407  -6.812   1.010
  461   HG13  VAL  63          HG13      VAL  63   0.781  -8.225   1.863
  462   HG21  VAL  63          HG21      VAL  63   4.836  -8.235   0.611
  463   HG22  VAL  63          HG22      VAL  63   3.844  -6.817   0.264
  464   HG23  VAL  63          HG23      VAL  63   3.530  -8.341  -0.566
  465    H    LYS  64           HN       LYS  64   3.397  -9.859   4.000
  466    HA   LYS  64           HA       LYS  64   0.813  -9.784   5.224
  467    HB2  LYS  64           HB2      LYS  64   3.110 -11.700   5.633
  468    HB3  LYS  64           HB1      LYS  64   1.472 -11.935   6.228
  469    HG2  LYS  64           HG2      LYS  64   0.640 -12.004   3.935
  470    HG3  LYS  64           HG1      LYS  64   2.276 -11.742   3.331
  471    HD2  LYS  64           HD2      LYS  64   2.986 -13.836   4.406
  472    HD3  LYS  64           HD1      LYS  64   1.330 -14.099   4.958
  473    HE2  LYS  64           HE2      LYS  64   1.770 -15.405   2.960
  474    HE3  LYS  64           HE1      LYS  64   0.575 -14.155   2.626
  475    HZ1  LYS  64           HZ1      LYS  64   3.463 -13.928   2.004
  476    HZ2  LYS  64           HZ2      LYS  64   2.242 -12.857   1.472
  477    HZ3  LYS  64           HZ3      LYS  64   2.318 -14.443   0.902
  478    H    ASN  65           HN       ASN  65   3.810  -8.525   6.054
  479    HA   ASN  65           HA       ASN  65   3.319  -8.661   8.912
  480    HB2  ASN  65           HB2      ASN  65   5.623  -9.018   8.211
  481    HB3  ASN  65           HB1      ASN  65   5.643  -7.473   7.371
  482   HD21  ASN  65          HD21      ASN  65   6.136  -5.635   8.527
  483   HD22  ASN  65          HD22      ASN  65   6.466  -5.657  10.222
  484    H    LEU  66           HN       LEU  66   2.830  -6.514   6.286
  485    HA   LEU  66           HA       LEU  66   2.766  -4.140   7.893
  486    HB2  LEU  66           HB2      LEU  66   1.821  -4.628   5.065
  487    HB3  LEU  66           HB1      LEU  66   1.926  -3.062   5.838
  488    HG   LEU  66           HG       LEU  66   4.257  -4.865   5.189
  489   HD11  LEU  66          HD11      LEU  66   4.833  -3.148   3.553
  490   HD12  LEU  66          HD12      LEU  66   3.349  -2.282   3.959
  491   HD13  LEU  66          HD13      LEU  66   3.262  -3.881   3.217
  492   HD21  LEU  66          HD21      LEU  66   5.648  -2.958   5.855
  493   HD22  LEU  66          HD22      LEU  66   4.677  -3.552   7.203
  494   HD23  LEU  66          HD23      LEU  66   4.204  -2.080   6.355
  495    H    LYS  67           HN       LYS  67   0.716  -2.763   7.706
  496    HA   LYS  67           HA       LYS  67  -1.706  -4.284   7.814
  497    HB2  LYS  67           HB2      LYS  67  -2.224  -3.406  10.173
  498    HB3  LYS  67           HB1      LYS  67  -1.132  -4.770  10.021
  499    HG2  LYS  67           HG2      LYS  67   0.762  -3.085  10.164
  500    HG3  LYS  67           HG1      LYS  67  -0.458  -1.910  10.654
  501    HD2  LYS  67           HD2      LYS  67  -1.093  -3.302  12.538
  502    HD3  LYS  67           HD1      LYS  67   0.060  -4.541  12.038
  503    HE2  LYS  67           HE2      LYS  67   1.883  -2.889  12.340
  504    HE3  LYS  67           HE1      LYS  67   0.694  -1.743  12.961
  505    HZ1  LYS  67           HZ1      LYS  67   0.165  -3.396  14.709
  506    HZ2  LYS  67           HZ2      LYS  67   1.745  -2.811  14.791
  507    HZ3  LYS  67           HZ3      LYS  67   1.447  -4.355  14.147
  508    H    THR  68           HN       THR  68  -0.848  -1.073   9.153
  509    HA   THR  68           HA       THR  68  -3.146  -0.026   7.779
  510    HB   THR  68           HB       THR  68  -2.515   2.091   8.909
  511    HG1  THR  68           HG1      THR  68  -0.716   1.347  10.639
  512   HG21  THR  68          HG21      THR  68  -2.783   1.273  11.259
  513   HG22  THR  68          HG22      THR  68  -2.626  -0.382  10.650
  514   HG23  THR  68          HG23      THR  68  -3.976   0.639  10.141
  515    H    VAL  69           HN       VAL  69  -2.763   2.210   6.658
  516    HA   VAL  69           HA       VAL  69  -0.886   1.993   4.616
  517    HB   VAL  69           HB       VAL  69  -2.590   4.271   5.679
  518   HG11  VAL  69          HG11      VAL  69  -1.164   4.033   3.061
  519   HG12  VAL  69          HG12      VAL  69  -0.740   5.104   4.415
  520   HG13  VAL  69          HG13      VAL  69  -2.269   5.338   3.545
  521   HG21  VAL  69          HG21      VAL  69  -4.067   3.734   3.810
  522   HG22  VAL  69          HG22      VAL  69  -3.883   2.384   4.934
  523   HG23  VAL  69          HG23      VAL  69  -3.027   2.369   3.392
  524    H    GLY  70           HN       GLY  70  -1.102   3.599   7.746
  525    HA2  GLY  70           HA2      GLY  70   1.213   5.186   7.588
  526    HA3  GLY  70           HA1      GLY  70   0.440   4.645   9.071
  527    H    ASP  71           HN       ASP  71   0.758   1.846   8.632
  528    HA   ASP  71           HA       ASP  71   3.488   1.588   9.455
  529    HB2  ASP  71           HB2      ASP  71   1.624   0.167  10.351
  530    HB3  ASP  71           HB1      ASP  71   1.574  -0.653   8.789
  531    H    ALA  72           HN       ALA  72   1.664   0.934   6.555
  532    HA   ALA  72           HA       ALA  72   3.590  -0.647   5.232
  533    HB1  ALA  72           HB1      ALA  72   1.224  -0.628   4.588
  534    HB2  ALA  72           HB2      ALA  72   2.270  -0.244   3.221
  535    HB3  ALA  72           HB3      ALA  72   1.387   1.043   4.048
  536    H    THR  73           HN       THR  73   2.707   2.766   4.902
  537    HA   THR  73           HA       THR  73   4.424   3.593   2.952
  538    HB   THR  73           HB       THR  73   4.357   5.826   4.214
  539    HG1  THR  73           HG1      THR  73   2.353   4.606   5.752
  540   HG21  THR  73          HG21      THR  73   2.779   5.191   2.414
  541   HG22  THR  73          HG22      THR  73   2.046   6.215   3.645
  542   HG23  THR  73          HG23      THR  73   1.719   4.480   3.635
  543    H    LYS  74           HN       LYS  74   4.962   3.678   6.410
  544    HA   LYS  74           HA       LYS  74   7.472   4.739   6.649
  545    HB2  LYS  74           HB2      LYS  74   5.770   4.115   8.415
  546    HB3  LYS  74           HB1      LYS  74   6.398   2.482   8.322
  547    HG2  LYS  74           HG2      LYS  74   7.340   3.623  10.207
  548    HG3  LYS  74           HG1      LYS  74   8.605   3.333   9.010
  549    HD2  LYS  74           HD2      LYS  74   8.513   5.612   8.267
  550    HD3  LYS  74           HD1      LYS  74   7.084   5.925   9.249
  551    HE2  LYS  74           HE2      LYS  74   9.826   5.224  10.300
  552    HE3  LYS  74           HE1      LYS  74   9.119   6.840  10.274
  553    HZ1  LYS  74           HZ1      LYS  74   7.289   5.906  11.661
  554    HZ2  LYS  74           HZ2      LYS  74   8.738   6.034  12.430
  555    HZ3  LYS  74           HZ3      LYS  74   8.202   4.504  11.901
  556    H    TYR  75           HN       TYR  75   6.610   1.345   6.032
  557    HA   TYR  75           HA       TYR  75   9.340   0.459   6.007
  558    HB2  TYR  75           HB2      TYR  75   7.745  -1.225   6.612
  559    HB3  TYR  75           HB1      TYR  75   6.757  -0.897   5.192
  560    HD1  TYR  75           HD1      TYR  75  10.119  -2.154   6.192
  561    HD2  TYR  75           HD2      TYR  75   7.054  -2.181   3.245
  562    HE1  TYR  75           HE1      TYR  75  11.259  -3.990   5.028
  563    HE2  TYR  75           HE2      TYR  75   8.195  -4.010   2.070
  564    HH   TYR  75           HH       TYR  75  10.363  -5.051   1.888
  565    H    ILE  76           HN       ILE  76   6.893   1.083   3.567
  566    HA   ILE  76           HA       ILE  76   8.174   0.351   1.232
  567    HB   ILE  76           HB       ILE  76   6.260   2.627   1.762
  568   HG12  ILE  76          HG12      ILE  76   5.811  -0.095   0.544
  569   HG13  ILE  76          HG11      ILE  76   5.499   0.319   2.229
  570   HG21  ILE  76          HG21      ILE  76   5.783   2.632  -0.651
  571   HG22  ILE  76          HG22      ILE  76   7.121   1.506  -0.908
  572   HG23  ILE  76          HG23      ILE  76   7.435   3.132  -0.295
  573   HD11  ILE  76          HD11      ILE  76   3.895   1.953   1.534
  574   HD12  ILE  76          HD12      ILE  76   3.469   0.346   0.914
  575   HD13  ILE  76          HD13      ILE  76   4.194   1.563  -0.157
  576    H    LEU  77           HN       LEU  77   8.163   3.607   2.649
  577    HA   LEU  77           HA       LEU  77  10.012   4.638   0.763
  578    HB2  LEU  77           HB2      LEU  77  10.119   6.621   2.199
  579    HB3  LEU  77           HB1      LEU  77   8.495   6.142   1.762
  580    HG   LEU  77           HG       LEU  77   8.531   4.981   4.102
  581   HD11  LEU  77          HD11      LEU  77   9.780   6.228   5.781
  582   HD12  LEU  77          HD12      LEU  77  10.596   7.132   4.505
  583   HD13  LEU  77          HD13      LEU  77  10.851   5.392   4.655
  584   HD21  LEU  77          HD21      LEU  77   7.075   6.679   3.332
  585   HD22  LEU  77          HD22      LEU  77   8.272   7.923   3.690
  586   HD23  LEU  77          HD23      LEU  77   7.532   6.990   5.014
  587    H    ASP  78           HN       ASP  78  10.486   2.823   3.522
  588    HA   ASP  78           HA       ASP  78  13.213   3.800   3.858
  589    HB2  ASP  78           HB2      ASP  78  11.863   3.245   5.852
  590    HB3  ASP  78           HB1      ASP  78  11.824   1.562   5.331
  591    H    HIS  79           HN       HIS  79  11.535   1.116   2.447
  592    HA   HIS  79           HA       HIS  79  14.022  -0.367   2.073
  593    HB2  HIS  79           HB2      HIS  79  11.890  -1.500   2.822
  594    HB3  HIS  79           HB1      HIS  79  11.234  -1.179   1.226
  595    HD1  HIS  79           HD1      HIS  79  13.987  -3.166   2.904
  596    HD2  HIS  79           HD2      HIS  79  11.899  -3.073  -0.682
  597    HE1  HIS  79           HE1      HIS  79  14.586  -5.284   1.729
  598    HE2  HIS  79           HE2      HIS  79  13.289  -5.259  -0.400
  599    H    GLN  80           HN       GLN  80  12.331   1.958   0.404
  600    HA   GLN  80           HA       GLN  80  13.163   1.058  -2.256
  601    HB2  GLN  80           HB2      GLN  80  12.125   3.153  -3.052
  602    HB3  GLN  80           HB1      GLN  80  10.990   2.204  -2.107
  603    HG2  GLN  80           HG2      GLN  80  11.293   3.620  -0.210
  604    HG3  GLN  80           HG1      GLN  80  12.604   4.481  -1.007
  605   HE21  GLN  80          HE21      GLN  80   9.145   4.026  -0.867
  606   HE22  GLN  80          HE22      GLN  80   8.809   5.435  -1.814
  607    H    ALA  81           HN       ALA  81  14.038   3.224  -3.522
  608    HA   ALA  81           HA       ALA  81  16.225   4.268  -1.900
  609    HB1  ALA  81           HB1      ALA  81  17.563   4.412  -3.946
  610    HB2  ALA  81           HB2      ALA  81  16.237   3.706  -4.870
  611    HB3  ALA  81           HB3      ALA  81  17.061   2.750  -3.637
  612    H28  SXO 101          H28B      SXO 101  -5.276 -11.193   4.727
  613   H28A  SXO 101          H28A      SXO 101  -5.202 -11.366   2.938
  614    H30  SXO 101          H30A      SXO 101  -2.833 -11.737   3.915
  615   H30A  SXO 101          H30C      SXO 101  -3.363 -12.377   5.469
  616   H30B  SXO 101          H30B      SXO 101  -2.520 -13.423   4.330
  617    H31  SXO 101          H31A      SXO 101  -5.256 -13.881   5.641
  618   H31A  SXO 101          H31B      SXO 101  -4.461 -15.021   4.544
  619   H31B  SXO 101          H31C      SXO 101  -6.086 -14.432   4.183
  620    H32  SXO 101          H32A      SXO 101  -3.662 -14.206   2.245
  621   HO33  SXO 101          H33A      SXO 101  -5.852 -13.277   1.125
  622   HN36  SXO 101          H36A      SXO 101  -2.208 -12.295   2.169
  623    H37  SXO 101          H37A      SXO 101  -1.290 -11.229   0.287
  624   H37A  SXO 101          H37B      SXO 101  -2.900 -10.533  -0.034
  625    H38  SXO 101          H38B      SXO 101  -1.078  -9.078   1.051
  626   H38A  SXO 101          H38A      SXO 101  -1.283 -10.008   2.497
  627   HN41  SXO 101          H41A      SXO 101  -2.365  -8.742   3.831
  628    H42  SXO 101          H42A      SXO 101  -3.806  -6.471   3.575
  629   H42A  SXO 101          H42B      SXO 101  -5.034  -7.664   3.330
  630    H43  SXO 101          H43B      SXO 101  -5.040  -7.164   5.602
  631   H43A  SXO 101          H43A      SXO 101  -4.285  -8.762   5.436
  632    H2   SXO 101           H2A      SXO 101  -0.794  -5.507   5.216
  633    H2A  SXO 101           H2B      SXO 101  -1.404  -3.936   5.736
  634    H3   SXO 101           H3B      SXO 101  -1.775  -5.159   3.014
  635    H3A  SXO 101           H3A      SXO 101  -2.369  -3.579   3.528
  636    H4   SXO 101           H4A      SXO 101   0.526  -4.432   3.353
  637    H4A  SXO 101           H4B      SXO 101  -0.046  -2.866   3.941
  638    H5   SXO 101           H5B      SXO 101  -0.583  -3.983   1.200
  639    H5A  SXO 101           H5A      SXO 101  -1.056  -2.395   1.802
  640    H6   SXO 101           H6A      SXO 101   1.770  -3.386   1.452
  641    H6A  SXO 101           H6B      SXO 101   1.298  -1.783   2.022
  642    H7   SXO 101           H7A      SXO 101   0.203  -1.329  -0.117
  643    H7A  SXO 101           H7B      SXO 101   0.605  -2.960  -0.679
  644    H8   SXO 101           H8C      SXO 101   2.565  -0.810   0.100
  645    H8A  SXO 101           H8A      SXO 101   2.163  -1.298  -1.546
  646    H8B  SXO 101           H8B      SXO 101   2.973  -2.432  -0.466
  Start of MODEL   15
    1    H1   ALA   1           HT1      ALA   1  13.804  11.143  -3.215
    2    H2   ALA   1           HT2      ALA   1  12.737  11.829  -2.069
    3    H3   ALA   1           HT3      ALA   1  12.270  11.718  -3.689
    4    HA   ALA   1           HA       ALA   1  12.146   9.405  -3.586
    5    HB1  ALA   1           HB1      ALA   1  13.897   9.010  -1.912
    6    HB2  ALA   1           HB2      ALA   1  12.375   8.258  -1.425
    7    HB3  ALA   1           HB3      ALA   1  12.894   9.770  -0.677
    8    H    ALA   2           HN       ALA   2  10.159   8.480  -2.900
    9    HA   ALA   2           HA       ALA   2   8.198  10.513  -2.342
   10    HB1  ALA   2           HB1      ALA   2   7.867   7.565  -2.878
   11    HB2  ALA   2           HB2      ALA   2   7.805   8.847  -4.090
   12    HB3  ALA   2           HB3      ALA   2   6.572   8.759  -2.834
   13    H    THR   3           HN       THR   3   7.523  10.995  -0.392
   14    HA   THR   3           HA       THR   3   8.133   9.164   1.790
   15    HB   THR   3           HB       THR   3   6.961  11.861   2.357
   16    HG1  THR   3           HG1      THR   3   8.440  12.234   0.592
   17   HG21  THR   3          HG21      THR   3   8.709  11.840   4.087
   18   HG22  THR   3          HG22      THR   3   9.364  10.351   3.403
   19   HG23  THR   3          HG23      THR   3   7.760  10.350   4.141
   20    H    GLN   4           HN       GLN   4   6.032  10.108   3.614
   21    HA   GLN   4           HA       GLN   4   4.391   7.927   2.954
   22    HB2  GLN   4           HB2      GLN   4   3.044   8.376   4.934
   23    HB3  GLN   4           HB1      GLN   4   4.756   8.347   5.280
   24    HG2  GLN   4           HG2      GLN   4   3.149  10.874   4.956
   25    HG3  GLN   4           HG1      GLN   4   3.443  10.080   6.501
   26   HE21  GLN   4          HE21      GLN   4   5.537  10.033   7.308
   27   HE22  GLN   4          HE22      GLN   4   6.731  11.162   6.786
   28    H    GLU   5           HN       GLU   5   3.744  11.363   2.546
   29    HA   GLU   5           HA       GLU   5   0.995  10.958   1.905
   30    HB2  GLU   5           HB2      GLU   5   2.893  13.204   1.198
   31    HB3  GLU   5           HB1      GLU   5   1.178  13.227   0.841
   32    HG2  GLU   5           HG2      GLU   5   2.385  13.057   3.583
   33    HG3  GLU   5           HG1      GLU   5   1.749  14.526   2.839
   34    H    GLU   6           HN       GLU   6   3.930  11.263   0.090
   35    HA   GLU   6           HA       GLU   6   2.863  11.088  -2.511
   36    HB2  GLU   6           HB2      GLU   6   5.593  10.301  -1.494
   37    HB3  GLU   6           HB1      GLU   6   5.169  10.631  -3.170
   38    HG2  GLU   6           HG2      GLU   6   4.768  12.928  -2.690
   39    HG3  GLU   6           HG1      GLU   6   4.924  12.645  -0.958
   40    H    ILE   7           HN       ILE   7   4.002   8.687  -0.220
   41    HA   ILE   7           HA       ILE   7   3.826   6.566  -2.026
   42    HB   ILE   7           HB       ILE   7   3.939   6.522   0.995
   43   HG12  ILE   7          HG12      ILE   7   5.981   7.315  -0.091
   44   HG13  ILE   7          HG11      ILE   7   6.247   5.736   0.629
   45   HG21  ILE   7          HG21      ILE   7   4.401   4.121   0.836
   46   HG22  ILE   7          HG22      ILE   7   4.075   4.180  -0.896
   47   HG23  ILE   7          HG23      ILE   7   2.784   4.518   0.257
   48   HD11  ILE   7          HD11      ILE   7   5.814   6.289  -2.313
   49   HD12  ILE   7          HD12      ILE   7   6.091   4.705  -1.608
   50   HD13  ILE   7          HD13      ILE   7   7.352   5.918  -1.551
   51    H    VAL   8           HN       VAL   8   1.670   7.629   0.670
   52    HA   VAL   8           HA       VAL   8  -0.273   5.659   0.264
   53    HB   VAL   8           HB       VAL   8  -0.552   8.381   1.594
   54   HG11  VAL   8          HG11      VAL   8  -2.605   7.520   2.604
   55   HG12  VAL   8          HG12      VAL   8  -2.457   6.044   1.651
   56   HG13  VAL   8          HG13      VAL   8  -2.750   7.586   0.848
   57   HG21  VAL   8          HG21      VAL   8   0.987   6.853   2.691
   58   HG22  VAL   8          HG22      VAL   8  -0.265   5.605   2.708
   59   HG23  VAL   8          HG23      VAL   8  -0.480   7.079   3.647
   60    H    ALA   9           HN       ALA   9   0.044   8.853  -1.210
   61    HA   ALA   9           HA       ALA   9  -2.428   8.891  -2.544
   62    HB1  ALA   9           HB1      ALA   9   0.196  10.082  -3.440
   63    HB2  ALA   9           HB2      ALA   9  -0.975  10.858  -2.369
   64    HB3  ALA   9           HB3      ALA   9  -1.400  10.521  -4.049
   65    H    GLY  10           HN       GLY  10   0.618   7.371  -3.319
   66    HA2  GLY  10           HA2      GLY  10  -0.200   6.493  -5.933
   67    HA3  GLY  10           HA1      GLY  10   1.233   5.956  -5.059
   68    H    LEU  11           HN       LEU  11  -0.083   5.131  -2.696
   69    HA   LEU  11           HA       LEU  11  -0.809   2.481  -3.261
   70    HB2  LEU  11           HB2      LEU  11  -1.525   4.179  -0.863
   71    HB3  LEU  11           HB1      LEU  11  -1.782   2.451  -0.958
   72    HG   LEU  11           HG       LEU  11   0.913   3.802  -1.051
   73   HD11  LEU  11          HD11      LEU  11   1.193   2.876   1.204
   74   HD12  LEU  11          HD12      LEU  11  -0.476   2.303   1.171
   75   HD13  LEU  11          HD13      LEU  11  -0.137   4.031   1.135
   76   HD21  LEU  11          HD21      LEU  11   0.820   1.682  -2.264
   77   HD22  LEU  11          HD22      LEU  11   0.135   0.898  -0.843
   78   HD23  LEU  11          HD23      LEU  11   1.779   1.538  -0.792
   79    H    ALA  12           HN       ALA  12  -2.822   5.261  -2.446
   80    HA   ALA  12           HA       ALA  12  -5.260   3.895  -2.760
   81    HB1  ALA  12           HB1      ALA  12  -5.011   5.889  -1.384
   82    HB2  ALA  12           HB2      ALA  12  -6.304   6.024  -2.576
   83    HB3  ALA  12           HB3      ALA  12  -4.767   6.855  -2.846
   84    H    GLU  13           HN       GLU  13  -3.096   5.245  -5.119
   85    HA   GLU  13           HA       GLU  13  -4.942   5.804  -7.135
   86    HB2  GLU  13           HB2      GLU  13  -2.770   6.756  -7.223
   87    HB3  GLU  13           HB1      GLU  13  -1.999   5.210  -6.934
   88    HG2  GLU  13           HG2      GLU  13  -1.624   5.777  -9.173
   89    HG3  GLU  13           HG1      GLU  13  -2.818   4.468  -9.001
   90    H    ILE  14           HN       ILE  14  -2.893   2.964  -6.449
   91    HA   ILE  14           HA       ILE  14  -4.255   1.508  -8.474
   92    HB   ILE  14           HB       ILE  14  -2.440   0.368  -6.292
   93   HG12  ILE  14          HG12      ILE  14  -0.889  -0.022  -8.327
   94   HG13  ILE  14          HG11      ILE  14  -1.907   1.128  -9.171
   95   HG21  ILE  14          HG21      ILE  14  -3.991  -1.284  -7.095
   96   HG22  ILE  14          HG22      ILE  14  -2.361  -1.656  -7.688
   97   HG23  ILE  14          HG23      ILE  14  -3.558  -0.913  -8.761
   98   HD11  ILE  14          HD11      ILE  14  -0.263   1.660  -6.713
   99   HD12  ILE  14          HD12      ILE  14  -1.306   2.835  -7.517
  100   HD13  ILE  14          HD13      ILE  14   0.101   2.180  -8.357
  101    H    VAL  15           HN       VAL  15  -4.642   1.841  -4.996
  102    HA   VAL  15           HA       VAL  15  -6.570  -0.208  -4.820
  103    HB   VAL  15           HB       VAL  15  -6.199   2.113  -2.864
  104   HG11  VAL  15          HG11      VAL  15  -7.666  -0.502  -2.505
  105   HG12  VAL  15          HG12      VAL  15  -8.413   1.087  -2.650
  106   HG13  VAL  15          HG13      VAL  15  -7.401   0.712  -1.255
  107   HG21  VAL  15          HG21      VAL  15  -4.214   0.698  -3.023
  108   HG22  VAL  15          HG22      VAL  15  -5.214  -0.732  -2.751
  109   HG23  VAL  15          HG23      VAL  15  -5.040   0.471  -1.478
  110    H    ASN  16           HN       ASN  16  -6.842   3.042  -5.927
  111    HA   ASN  16           HA       ASN  16  -9.679   3.207  -5.765
  112    HB2  ASN  16           HB2      ASN  16  -8.342   5.237  -6.035
  113    HB3  ASN  16           HB1      ASN  16  -7.713   4.650  -7.569
  114   HD21  ASN  16          HD21      ASN  16 -10.493   5.920  -5.918
  115   HD22  ASN  16          HD22      ASN  16 -11.389   6.364  -7.325
  116    H    GLU  17           HN       GLU  17  -7.454   1.820  -7.980
  117    HA   GLU  17           HA       GLU  17  -9.402   1.343 -10.036
  118    HB2  GLU  17           HB2      GLU  17  -7.001   1.670 -10.536
  119    HB3  GLU  17           HB1      GLU  17  -6.626   0.205  -9.644
  120    HG2  GLU  17           HG2      GLU  17  -6.609  -0.153 -12.053
  121    HG3  GLU  17           HG1      GLU  17  -7.850  -1.120 -11.253
  122    H    ILE  18           HN       ILE  18  -7.859  -0.456  -7.475
  123    HA   ILE  18           HA       ILE  18  -9.086  -2.971  -8.146
  124    HB   ILE  18           HB       ILE  18  -7.581  -2.067  -5.679
  125   HG12  ILE  18          HG12      ILE  18  -6.287  -2.014  -7.719
  126   HG13  ILE  18          HG11      ILE  18  -5.699  -3.288  -6.653
  127   HG21  ILE  18          HG21      ILE  18  -7.299  -4.441  -5.139
  128   HG22  ILE  18          HG22      ILE  18  -8.368  -4.868  -6.474
  129   HG23  ILE  18          HG23      ILE  18  -8.997  -3.957  -5.097
  130   HD11  ILE  18          HD11      ILE  18  -6.907  -4.937  -7.989
  131   HD12  ILE  18          HD12      ILE  18  -5.735  -4.037  -8.971
  132   HD13  ILE  18          HD13      ILE  18  -7.462  -3.653  -9.059
  133    H    ALA  19           HN       ALA  19  -9.521  -0.684  -5.452
  134    HA   ALA  19           HA       ALA  19 -11.952  -2.118  -4.716
  135    HB1  ALA  19           HB1      ALA  19 -10.371  -0.072  -3.173
  136    HB2  ALA  19           HB2      ALA  19 -10.235  -1.820  -3.019
  137    HB3  ALA  19           HB3      ALA  19 -11.744  -1.012  -2.558
  138    H    GLY  20           HN       GLY  20 -10.755   1.183  -5.232
  139    HA2  GLY  20           HA2      GLY  20 -12.138   2.578  -6.722
  140    HA3  GLY  20           HA1      GLY  20 -13.546   1.883  -5.943
  141    H    ILE  21           HN       ILE  21 -11.307   2.478  -3.591
  142    HA   ILE  21           HA       ILE  21 -12.787   4.626  -2.538
  143    HB   ILE  21           HB       ILE  21 -10.801   4.904  -0.929
  144   HG12  ILE  21          HG12      ILE  21  -9.421   2.788  -0.676
  145   HG13  ILE  21          HG11      ILE  21  -9.987   2.315  -2.267
  146   HG21  ILE  21          HG21      ILE  21 -12.832   3.924  -0.277
  147   HG22  ILE  21          HG22      ILE  21 -11.494   3.007   0.412
  148   HG23  ILE  21          HG23      ILE  21 -12.384   2.366  -0.980
  149   HD11  ILE  21          HD11      ILE  21  -8.881   4.266  -3.234
  150   HD12  ILE  21          HD12      ILE  21  -7.746   3.246  -2.353
  151   HD13  ILE  21          HD13      ILE  21  -8.327   4.750  -1.631
  152    HA   PRO  22           HA       PRO  22 -10.996   8.158  -4.414
  153    HB2  PRO  22           HB2      PRO  22 -11.472   9.652  -1.932
  154    HB3  PRO  22           HB1      PRO  22 -12.242   9.847  -3.508
  155    HG2  PRO  22           HG2      PRO  22 -13.557   8.851  -1.372
  156    HG3  PRO  22           HG1      PRO  22 -13.906   8.338  -3.034
  157    HD2  PRO  22           HD2      PRO  22 -12.301   6.970  -0.922
  158    HD3  PRO  22           HD1      PRO  22 -13.451   6.284  -2.090
  159    H    VAL  23           HN       VAL  23  -8.961   8.914  -4.512
  160    HA   VAL  23           HA       VAL  23  -6.985   7.905  -2.764
  161    HB   VAL  23           HB       VAL  23  -5.371   9.287  -4.025
  162   HG11  VAL  23          HG11      VAL  23  -7.417   7.968  -5.799
  163   HG12  VAL  23          HG12      VAL  23  -6.073   7.168  -4.987
  164   HG13  VAL  23          HG13      VAL  23  -5.759   8.353  -6.257
  165   HG21  VAL  23          HG21      VAL  23  -6.710  11.295  -4.279
  166   HG22  VAL  23          HG22      VAL  23  -7.821  10.443  -5.334
  167   HG23  VAL  23          HG23      VAL  23  -6.155  10.740  -5.866
  168    H    GLU  24           HN       GLU  24  -8.779  10.814  -2.868
  169    HA   GLU  24           HA       GLU  24  -7.177  12.412  -1.120
  170    HB2  GLU  24           HB2      GLU  24  -9.139  13.883  -1.124
  171    HB3  GLU  24           HB1      GLU  24  -8.719  13.364  -2.753
  172    HG2  GLU  24           HG2      GLU  24 -10.460  11.561  -2.500
  173    HG3  GLU  24           HG1      GLU  24 -10.972  12.380  -1.030
  174    H    ASP  25           HN       ASP  25  -9.266   9.770  -0.607
  175    HA   ASP  25           HA       ASP  25 -10.171  10.704   1.986
  176    HB2  ASP  25           HB2      ASP  25 -11.719   9.632   0.367
  177    HB3  ASP  25           HB1      ASP  25 -10.791   8.161   0.499
  178    H    VAL  26           HN       VAL  26  -7.717   8.844   0.611
  179    HA   VAL  26           HA       VAL  26  -7.377   7.192   2.988
  180    HB   VAL  26           HB       VAL  26  -5.850   7.126   0.372
  181   HG11  VAL  26          HG11      VAL  26  -4.617   6.141   2.234
  182   HG12  VAL  26          HG12      VAL  26  -5.149   4.894   1.106
  183   HG13  VAL  26          HG13      VAL  26  -6.005   5.128   2.631
  184   HG21  VAL  26          HG21      VAL  26  -8.203   6.628   0.011
  185   HG22  VAL  26          HG22      VAL  26  -8.159   5.425   1.300
  186   HG23  VAL  26          HG23      VAL  26  -7.222   5.174  -0.172
  187    H    LYS  27           HN       LYS  27  -6.637   8.645   4.496
  188    HA   LYS  27           HA       LYS  27  -4.072   9.931   4.027
  189    HB2  LYS  27           HB2      LYS  27  -5.907   9.888   6.456
  190    HB3  LYS  27           HB1      LYS  27  -4.371  10.718   6.405
  191    HG2  LYS  27           HG2      LYS  27  -6.031  12.369   6.147
  192    HG3  LYS  27           HG1      LYS  27  -5.322  12.116   4.551
  193    HD2  LYS  27           HD2      LYS  27  -7.229  10.845   3.849
  194    HD3  LYS  27           HD1      LYS  27  -7.911  10.878   5.479
  195    HE2  LYS  27           HE2      LYS  27  -8.148  13.284   5.365
  196    HE3  LYS  27           HE1      LYS  27  -7.388  13.309   3.775
  197    HZ1  LYS  27           HZ1      LYS  27  -9.248  12.104   2.882
  198    HZ2  LYS  27           HZ2      LYS  27  -9.784  13.481   3.648
  199    HZ3  LYS  27           HZ3      LYS  27  -9.986  11.977   4.405
  200    H    LEU  28           HN       LEU  28  -2.879   9.549   6.550
  201    HA   LEU  28           HA       LEU  28  -1.879   6.880   6.217
  202    HB2  LEU  28           HB2      LEU  28  -1.216   9.105   8.112
  203    HB3  LEU  28           HB1      LEU  28  -0.618   7.495   8.424
  204    HG   LEU  28           HG       LEU  28   1.082   8.859   7.397
  205   HD11  LEU  28          HD11      LEU  28   1.681   7.445   5.502
  206   HD12  LEU  28          HD12      LEU  28   0.069   6.729   5.555
  207   HD13  LEU  28          HD13      LEU  28   1.168   6.545   6.925
  208   HD21  LEU  28          HD21      LEU  28  -0.785   9.142   5.050
  209   HD22  LEU  28          HD22      LEU  28   0.896   9.672   5.098
  210   HD23  LEU  28          HD23      LEU  28  -0.298  10.430   6.152
  211    H    ASP  29           HN       ASP  29  -4.491   8.069   7.875
  212    HA   ASP  29           HA       ASP  29  -4.362   6.167  10.090
  213    HB2  ASP  29           HB2      ASP  29  -6.469   8.234   9.413
  214    HB3  ASP  29           HB1      ASP  29  -6.475   7.223  10.853
  215    H    LYS  30           HN       LYS  30  -4.774   5.533   7.200
  216    HA   LYS  30           HA       LYS  30  -7.320   4.093   7.358
  217    HB2  LYS  30           HB2      LYS  30  -5.576   4.830   5.008
  218    HB3  LYS  30           HB1      LYS  30  -6.949   3.746   4.887
  219    HG2  LYS  30           HG2      LYS  30  -7.139   6.591   5.846
  220    HG3  LYS  30           HG1      LYS  30  -7.389   6.091   4.171
  221    HD2  LYS  30           HD2      LYS  30  -9.194   4.597   4.910
  222    HD3  LYS  30           HD1      LYS  30  -8.958   5.149   6.567
  223    HE2  LYS  30           HE2      LYS  30  -9.605   7.383   5.960
  224    HE3  LYS  30           HE1      LYS  30  -9.668   6.926   4.256
  225    HZ1  LYS  30           HZ1      LYS  30 -11.471   5.862   6.399
  226    HZ2  LYS  30           HZ2      LYS  30 -11.507   5.411   4.790
  227    HZ3  LYS  30           HZ3      LYS  30 -11.918   6.975   5.216
  228    H    SER  31           HN       SER  31  -7.276   1.949   6.335
  229    HA   SER  31           HA       SER  31  -4.756   0.549   6.386
  230    HB2  SER  31           HB2      SER  31  -5.624   0.106   8.584
  231    HB3  SER  31           HB1      SER  31  -7.243  -0.242   7.956
  232    HG   SER  31           HG       SER  31  -5.334  -1.977   8.399
  233    H    PHE  32           HN       PHE  32  -5.209  -1.697   5.275
  234    HA   PHE  32           HA       PHE  32  -6.493  -0.866   2.844
  235    HB2  PHE  32           HB2      PHE  32  -4.918  -3.347   3.546
  236    HB3  PHE  32           HB1      PHE  32  -5.575  -2.994   1.948
  237    HD1  PHE  32           HD2      PHE  32  -4.613  -1.235   0.571
  238    HD2  PHE  32           HD1      PHE  32  -3.015  -2.159   4.403
  239    HE1  PHE  32           HE2      PHE  32  -2.578   0.020   0.018
  240    HE2  PHE  32           HE1      PHE  32  -0.971  -0.903   3.857
  241    HZ   PHE  32           HZ       PHE  32  -0.780   0.230   1.662
  242    H    THR  33           HN       THR  33  -6.841  -3.518   5.193
  243    HA   THR  33           HA       THR  33  -9.475  -3.678   4.019
  244    HB   THR  33           HB       THR  33  -9.542  -5.981   4.652
  245    HG1  THR  33           HG1      THR  33  -7.737  -7.025   5.364
  246   HG21  THR  33          HG21      THR  33  -8.966  -5.345   2.383
  247   HG22  THR  33          HG22      THR  33  -8.043  -6.776   2.837
  248   HG23  THR  33          HG23      THR  33  -7.269  -5.191   2.835
  249    H    ASP  34           HN       ASP  34  -7.953  -2.725   6.753
  250    HA   ASP  34           HA       ASP  34 -10.136  -3.566   8.464
  251    HB2  ASP  34           HB2      ASP  34  -7.645  -1.980   9.073
  252    HB3  ASP  34           HB1      ASP  34  -8.931  -2.216  10.248
  253    H    ASP  35           HN       ASP  35  -9.150  -0.906   6.622
  254    HA   ASP  35           HA       ASP  35 -11.435   0.572   7.733
  255    HB2  ASP  35           HB2      ASP  35  -9.119   1.688   8.053
  256    HB3  ASP  35           HB1      ASP  35  -9.136   1.898   6.312
  257    H    LEU  36           HN       LEU  36  -9.480   0.077   4.765
  258    HA   LEU  36           HA       LEU  36 -11.529   1.235   3.156
  259    HB2  LEU  36           HB2      LEU  36  -9.093  -0.338   2.311
  260    HB3  LEU  36           HB1      LEU  36 -10.128   0.591   1.249
  261    HG   LEU  36           HG       LEU  36  -8.358   1.703   3.423
  262   HD11  LEU  36          HD11      LEU  36  -7.091   2.677   1.577
  263   HD12  LEU  36          HD12      LEU  36  -8.132   1.832   0.429
  264   HD13  LEU  36          HD13      LEU  36  -7.097   0.914   1.521
  265   HD21  LEU  36          HD21      LEU  36  -8.981   3.901   2.539
  266   HD22  LEU  36          HD22      LEU  36 -10.378   3.031   3.173
  267   HD23  LEU  36          HD23      LEU  36 -10.116   3.128   1.432
  268    H    ASP  37           HN       ASP  37 -12.229  -0.057   1.148
  269    HA   ASP  37           HA       ASP  37 -13.714  -2.305   2.288
  270    HB2  ASP  37           HB2      ASP  37 -15.335  -1.980   0.584
  271    HB3  ASP  37           HB1      ASP  37 -14.877  -0.367   1.107
  272    H    VAL  38           HN       VAL  38 -10.913  -2.169   1.060
  273    HA   VAL  38           HA       VAL  38 -10.718  -3.538  -1.343
  274    HB   VAL  38           HB       VAL  38  -8.801  -3.754   0.992
  275   HG11  VAL  38          HG11      VAL  38  -8.388  -5.421  -0.731
  276   HG12  VAL  38          HG12      VAL  38  -7.115  -4.201  -0.728
  277   HG13  VAL  38          HG13      VAL  38  -8.373  -4.162  -1.966
  278   HG21  VAL  38          HG21      VAL  38  -8.886  -1.774  -1.275
  279   HG22  VAL  38          HG22      VAL  38  -7.605  -1.900  -0.068
  280   HG23  VAL  38          HG23      VAL  38  -9.236  -1.435   0.418
  281    H    ASP  39           HN       ASP  39 -10.929  -5.534  -1.960
  282    HA   ASP  39           HA       ASP  39 -12.326  -7.477  -0.410
  283    HB2  ASP  39           HB2      ASP  39 -12.730  -7.071  -2.783
  284    HB3  ASP  39           HB1      ASP  39 -11.090  -7.534  -3.174
  285    H    SER  40           HN       SER  40  -9.403  -6.792   0.259
  286    HA   SER  40           HA       SER  40  -7.571  -7.688   1.074
  287    HB2  SER  40           HB2      SER  40  -9.534  -9.831   1.581
  288    HB3  SER  40           HB1      SER  40  -7.818 -10.168   1.852
  289    H    LEU  41           HN       LEU  41  -8.684 -10.533  -0.727
  290    HA   LEU  41           HA       LEU  41  -6.052 -11.273  -1.305
  291    HB2  LEU  41           HB2      LEU  41  -8.619 -12.068  -2.684
  292    HB3  LEU  41           HB1      LEU  41  -7.071 -12.724  -3.158
  293    HG   LEU  41           HG       LEU  41  -6.848 -13.615  -0.804
  294   HD11  LEU  41          HD11      LEU  41  -9.759 -12.875  -0.656
  295   HD12  LEU  41          HD12      LEU  41  -8.449 -12.265   0.369
  296   HD13  LEU  41          HD13      LEU  41  -8.924 -13.956   0.455
  297   HD21  LEU  41          HD21      LEU  41  -7.405 -15.025  -2.681
  298   HD22  LEU  41          HD22      LEU  41  -9.112 -14.613  -2.512
  299   HD23  LEU  41          HD23      LEU  41  -8.296 -15.530  -1.245
  300    H    SER  42           HN       SER  42  -8.261  -9.171  -2.749
  301    HA   SER  42           HA       SER  42  -7.132  -8.853  -5.318
  302    HB2  SER  42           HB2      SER  42  -9.005  -7.204  -3.677
  303    HB3  SER  42           HB1      SER  42  -8.764  -6.994  -5.432
  304    HG   SER  42           HG       SER  42 -10.282  -8.922  -4.077
  305    H    MET  43           HN       MET  43  -6.298  -7.555  -2.195
  306    HA   MET  43           HA       MET  43  -5.092  -5.083  -3.131
  307    HB2  MET  43           HB2      MET  43  -6.020  -5.626  -0.760
  308    HB3  MET  43           HB1      MET  43  -4.512  -6.479  -0.521
  309    HG2  MET  43           HG2      MET  43  -4.722  -3.536  -1.170
  310    HG3  MET  43           HG1      MET  43  -4.619  -4.183   0.455
  311    HE1  MET  43           HE1      MET  43  -2.418  -6.588  -0.178
  312    HE2  MET  43           HE2      MET  43  -2.555  -5.610   1.272
  313    HE3  MET  43           HE3      MET  43  -1.002  -5.730   0.439
  314    H    VAL  44           HN       VAL  44  -4.245  -8.323  -2.915
  315    HA   VAL  44           HA       VAL  44  -1.447  -8.095  -2.814
  316    HB   VAL  44           HB       VAL  44  -3.061 -10.276  -4.188
  317   HG11  VAL  44          HG11      VAL  44  -0.284 -10.348  -3.023
  318   HG12  VAL  44          HG12      VAL  44  -0.690 -10.381  -4.739
  319   HG13  VAL  44          HG13      VAL  44  -1.157 -11.725  -3.696
  320   HG21  VAL  44          HG21      VAL  44  -2.212 -10.032  -1.295
  321   HG22  VAL  44          HG22      VAL  44  -2.931 -11.464  -2.015
  322   HG23  VAL  44          HG23      VAL  44  -3.842  -9.960  -1.930
  323    H    GLU  45           HN       GLU  45  -3.750  -7.623  -5.396
  324    HA   GLU  45           HA       GLU  45  -1.758  -7.462  -7.444
  325    HB2  GLU  45           HB2      GLU  45  -4.686  -6.747  -7.455
  326    HB3  GLU  45           HB1      GLU  45  -3.639  -6.576  -8.861
  327    HG2  GLU  45           HG2      GLU  45  -3.116  -8.966  -8.699
  328    HG3  GLU  45           HG1      GLU  45  -4.305  -9.116  -7.405
  329    H    VAL  46           HN       VAL  46  -2.958  -5.393  -5.089
  330    HA   VAL  46           HA       VAL  46  -2.307  -2.898  -6.375
  331    HB   VAL  46           HB       VAL  46  -2.695  -3.535  -3.428
  332   HG11  VAL  46          HG11      VAL  46  -2.653  -0.872  -4.845
  333   HG12  VAL  46          HG12      VAL  46  -1.418  -1.493  -3.751
  334   HG13  VAL  46          HG13      VAL  46  -3.032  -1.122  -3.142
  335   HG21  VAL  46          HG21      VAL  46  -4.713  -3.987  -4.721
  336   HG22  VAL  46          HG22      VAL  46  -4.645  -2.363  -5.407
  337   HG23  VAL  46          HG23      VAL  46  -4.931  -2.580  -3.680
  338    H    VAL  47           HN       VAL  47  -0.993  -4.771  -3.680
  339    HA   VAL  47           HA       VAL  47   1.305  -3.231  -3.390
  340    HB   VAL  47           HB       VAL  47   0.535  -4.695  -1.602
  341   HG11  VAL  47          HG11      VAL  47   0.987  -7.096  -1.597
  342   HG12  VAL  47          HG12      VAL  47   1.512  -6.990  -3.277
  343   HG13  VAL  47          HG13      VAL  47  -0.159  -6.629  -2.850
  344   HG21  VAL  47          HG21      VAL  47   2.824  -3.909  -1.527
  345   HG22  VAL  47          HG22      VAL  47   3.360  -5.298  -2.465
  346   HG23  VAL  47          HG23      VAL  47   2.723  -5.531  -0.833
  347    H    VAL  48           HN       VAL  48   0.875  -5.999  -5.561
  348    HA   VAL  48           HA       VAL  48   3.620  -6.174  -6.227
  349    HB   VAL  48           HB       VAL  48   2.004  -7.995  -6.795
  350   HG11  VAL  48          HG11      VAL  48   1.020  -6.148  -8.948
  351   HG12  VAL  48          HG12      VAL  48   0.118  -6.702  -7.540
  352   HG13  VAL  48          HG13      VAL  48   0.597  -7.854  -8.786
  353   HG21  VAL  48          HG21      VAL  48   4.156  -7.977  -7.918
  354   HG22  VAL  48          HG22      VAL  48   3.513  -6.926  -9.179
  355   HG23  VAL  48          HG23      VAL  48   2.905  -8.573  -9.009
  356    H    ALA  49           HN       ALA  49   1.079  -4.078  -7.295
  357    HA   ALA  49           HA       ALA  49   2.619  -2.955  -9.459
  358    HB1  ALA  49           HB1      ALA  49   0.020  -2.030  -8.205
  359    HB2  ALA  49           HB2      ALA  49   0.164  -3.075  -9.615
  360    HB3  ALA  49           HB3      ALA  49   0.725  -1.403  -9.695
  361    H    ALA  50           HN       ALA  50   2.077  -2.463  -6.119
  362    HA   ALA  50           HA       ALA  50   2.896   0.226  -5.946
  363    HB1  ALA  50           HB1      ALA  50   1.562  -0.855  -4.192
  364    HB2  ALA  50           HB2      ALA  50   3.034  -0.128  -3.546
  365    HB3  ALA  50           HB3      ALA  50   2.943  -1.876  -3.784
  366    H    GLU  51           HN       GLU  51   4.652  -2.826  -5.720
  367    HA   GLU  51           HA       GLU  51   7.111  -1.938  -4.818
  368    HB2  GLU  51           HB2      GLU  51   6.690  -3.924  -7.035
  369    HB3  GLU  51           HB1      GLU  51   8.141  -3.706  -6.077
  370    HG2  GLU  51           HG2      GLU  51   6.861  -4.389  -4.088
  371    HG3  GLU  51           HG1      GLU  51   5.498  -4.754  -5.156
  372    H    GLU  52           HN       GLU  52   6.037  -2.169  -8.158
  373    HA   GLU  52           HA       GLU  52   8.342  -0.876  -9.203
  374    HB2  GLU  52           HB2      GLU  52   6.942  -0.811 -11.322
  375    HB3  GLU  52           HB1      GLU  52   7.302  -2.397 -10.649
  376    HG2  GLU  52           HG2      GLU  52   5.136  -2.610  -9.761
  377    HG3  GLU  52           HG1      GLU  52   4.717  -0.938 -10.103
  378    H    ARG  53           HN       ARG  53   5.198   0.187  -8.196
  379    HA   ARG  53           HA       ARG  53   5.086   2.674  -9.533
  380    HB2  ARG  53           HB2      ARG  53   3.281   1.304  -8.228
  381    HB3  ARG  53           HB1      ARG  53   3.846   2.235  -6.852
  382    HG2  ARG  53           HG2      ARG  53   1.924   3.300  -7.778
  383    HG3  ARG  53           HG1      ARG  53   3.339   4.305  -8.126
  384    HD2  ARG  53           HD2      ARG  53   3.444   3.531 -10.365
  385    HD3  ARG  53           HD1      ARG  53   2.259   2.264 -10.051
  386    HE   ARG  53           HE       ARG  53   1.534   5.107  -9.888
  387   HH11  ARG  53          HH11      ARG  53   1.059   1.874 -11.306
  388   HH12  ARG  53          HH12      ARG  53  -0.397   2.273 -12.068
  389   HH21  ARG  53          HH21      ARG  53  -0.386   5.654 -10.942
  390   HH22  ARG  53          HH22      ARG  53  -1.244   4.527 -11.923
  391    H    PHE  54           HN       PHE  54   6.291   1.695  -6.358
  392    HA   PHE  54           HA       PHE  54   7.149   4.452  -5.905
  393    HB2  PHE  54           HB2      PHE  54   6.988   2.177  -3.926
  394    HB3  PHE  54           HB1      PHE  54   7.342   3.863  -3.555
  395    HD1  PHE  54           HD2      PHE  54   5.527   5.497  -4.725
  396    HD2  PHE  54           HD1      PHE  54   4.876   1.512  -3.421
  397    HE1  PHE  54           HE2      PHE  54   3.143   5.951  -4.566
  398    HE2  PHE  54           HE1      PHE  54   2.470   1.951  -3.272
  399    HZ   PHE  54           HZ       PHE  54   1.600   4.167  -3.842
  400    H    ASP  55           HN       ASP  55   8.293   1.759  -7.197
  401    HA   ASP  55           HA       ASP  55  10.286   0.897  -7.785
  402    HB2  ASP  55           HB2      ASP  55  10.647   3.292  -8.387
  403    HB3  ASP  55           HB1      ASP  55  11.384   3.533  -6.803
  404    H    VAL  56           HN       VAL  56   9.310   0.284  -5.277
  405    HA   VAL  56           HA       VAL  56  11.735  -0.472  -3.883
  406    HB   VAL  56           HB       VAL  56  11.045   1.488  -2.681
  407   HG11  VAL  56          HG11      VAL  56   8.848   1.693  -1.546
  408   HG12  VAL  56          HG12      VAL  56   8.318   0.231  -2.383
  409   HG13  VAL  56          HG13      VAL  56   8.733   1.670  -3.306
  410   HG21  VAL  56          HG21      VAL  56  11.907  -0.298  -1.300
  411   HG22  VAL  56          HG22      VAL  56  10.276  -0.958  -1.108
  412   HG23  VAL  56          HG23      VAL  56  10.679   0.619  -0.424
  413    H    LYS  57           HN       LYS  57  11.703  -2.524  -3.935
  414    HA   LYS  57           HA       LYS  57   9.278  -3.984  -4.369
  415    HB2  LYS  57           HB2      LYS  57  12.120  -4.937  -4.149
  416    HB3  LYS  57           HB1      LYS  57  10.754  -6.030  -4.341
  417    HG2  LYS  57           HG2      LYS  57  10.150  -4.776  -6.418
  418    HG3  LYS  57           HG1      LYS  57  11.671  -3.900  -6.254
  419    HD2  LYS  57           HD2      LYS  57  11.890  -5.767  -7.817
  420    HD3  LYS  57           HD1      LYS  57  12.901  -6.010  -6.393
  421    HE2  LYS  57           HE2      LYS  57  11.731  -8.075  -7.092
  422    HE3  LYS  57           HE1      LYS  57  11.293  -7.567  -5.465
  423    HZ1  LYS  57           HZ1      LYS  57   9.405  -8.317  -6.842
  424    HZ2  LYS  57           HZ2      LYS  57   9.610  -7.002  -7.877
  425    HZ3  LYS  57           HZ3      LYS  57   9.196  -6.767  -6.254
  426    H    ILE  58           HN       ILE  58   8.371  -5.546  -3.205
  427    HA   ILE  58           HA       ILE  58   8.923  -5.524  -0.321
  428    HB   ILE  58           HB       ILE  58   6.133  -5.328  -1.519
  429   HG12  ILE  58          HG12      ILE  58   7.711  -3.073  -0.246
  430   HG13  ILE  58          HG11      ILE  58   7.492  -3.257  -1.980
  431   HG21  ILE  58          HG21      ILE  58   6.269  -6.339   0.701
  432   HG22  ILE  58          HG22      ILE  58   5.487  -4.761   0.785
  433   HG23  ILE  58          HG23      ILE  58   7.167  -4.939   1.297
  434   HD11  ILE  58          HD11      ILE  58   5.088  -2.999  -1.690
  435   HD12  ILE  58          HD12      ILE  58   5.978  -1.610  -1.069
  436   HD13  ILE  58          HD13      ILE  58   5.318  -2.807   0.049
  437    HA   PRO  59           HA       PRO  59   8.708  -9.924  -1.722
  438    HB2  PRO  59           HB2      PRO  59   9.515 -10.187   1.138
  439    HB3  PRO  59           HB1      PRO  59  10.186 -10.979  -0.293
  440    HG2  PRO  59           HG2      PRO  59  11.507  -9.005   0.856
  441    HG3  PRO  59           HG1      PRO  59  11.413  -9.103  -0.914
  442    HD2  PRO  59           HD2      PRO  59   9.894  -7.332   0.963
  443    HD3  PRO  59           HD1      PRO  59  10.609  -6.950  -0.618
  444    H    ASP  60           HN       ASP  60   7.111 -11.298  -1.504
  445    HA   ASP  60           HA       ASP  60   4.610 -10.617  -0.590
  446    HB2  ASP  60           HB2      ASP  60   5.749 -13.364  -1.114
  447    HB3  ASP  60           HB1      ASP  60   4.046 -13.068  -0.804
  448    H    ASP  61           HN       ASP  61   6.987 -12.587   1.074
  449    HA   ASP  61           HA       ASP  61   5.466 -13.341   3.299
  450    HB2  ASP  61           HB2      ASP  61   7.561 -14.411   2.971
  451    HB3  ASP  61           HB1      ASP  61   8.427 -12.880   2.987
  452    H    ASP  62           HN       ASP  62   7.347 -10.419   2.735
  453    HA   ASP  62           HA       ASP  62   6.827  -9.587   5.460
  454    HB2  ASP  62           HB2      ASP  62   9.087  -9.242   4.229
  455    HB3  ASP  62           HB1      ASP  62   8.289  -7.851   3.492
  456    H    VAL  63           HN       VAL  63   5.556  -9.072   2.346
  457    HA   VAL  63           HA       VAL  63   4.208  -6.645   2.517
  458    HB   VAL  63           HB       VAL  63   3.133  -9.264   1.386
  459   HG11  VAL  63          HG11      VAL  63   2.187  -6.441   0.880
  460   HG12  VAL  63          HG12      VAL  63   1.316  -7.685   1.777
  461   HG13  VAL  63          HG13      VAL  63   1.607  -7.884   0.049
  462   HG21  VAL  63          HG21      VAL  63   4.504  -6.961   0.013
  463   HG22  VAL  63          HG22      VAL  63   3.821  -8.379  -0.786
  464   HG23  VAL  63          HG23      VAL  63   5.194  -8.557   0.308
  465    H    LYS  64           HN       LYS  64   3.133  -9.828   3.552
  466    HA   LYS  64           HA       LYS  64   0.675  -8.849   4.621
  467    HB2  LYS  64           HB2      LYS  64   1.931 -11.580   4.691
  468    HB3  LYS  64           HB1      LYS  64   0.326 -11.211   5.319
  469    HG2  LYS  64           HG2      LYS  64  -0.459 -10.569   3.151
  470    HG3  LYS  64           HG1      LYS  64   1.163 -10.690   2.477
  471    HD2  LYS  64           HD2      LYS  64  -0.448 -12.983   3.596
  472    HD3  LYS  64           HD1      LYS  64  -0.248 -12.615   1.882
  473    HE2  LYS  64           HE2      LYS  64   2.220 -12.842   2.209
  474    HE3  LYS  64           HE1      LYS  64   1.898 -13.395   3.848
  475    HZ1  LYS  64           HZ1      LYS  64   0.622 -15.265   2.892
  476    HZ2  LYS  64           HZ2      LYS  64   2.234 -15.233   2.361
  477    HZ3  LYS  64           HZ3      LYS  64   1.011 -14.687   1.341
  478    H    ASN  65           HN       ASN  65   3.668  -8.663   5.800
  479    HA   ASN  65           HA       ASN  65   3.028  -9.074   8.586
  480    HB2  ASN  65           HB2      ASN  65   5.470  -7.999   7.172
  481    HB3  ASN  65           HB1      ASN  65   5.302  -7.947   8.916
  482   HD21  ASN  65          HD21      ASN  65   7.322  -9.309   7.356
  483   HD22  ASN  65          HD22      ASN  65   7.160 -10.984   7.748
  484    H    LEU  66           HN       LEU  66   2.567  -6.663   6.237
  485    HA   LEU  66           HA       LEU  66   2.659  -4.446   8.101
  486    HB2  LEU  66           HB2      LEU  66   1.879  -4.610   5.186
  487    HB3  LEU  66           HB1      LEU  66   2.009  -3.128   6.114
  488    HG   LEU  66           HG       LEU  66   4.333  -4.980   5.579
  489   HD11  LEU  66          HD11      LEU  66   5.039  -3.280   3.953
  490   HD12  LEU  66          HD12      LEU  66   3.485  -2.459   4.184
  491   HD13  LEU  66          HD13      LEU  66   3.532  -4.079   3.500
  492   HD21  LEU  66          HD21      LEU  66   4.578  -3.585   7.567
  493   HD22  LEU  66          HD22      LEU  66   4.195  -2.153   6.612
  494   HD23  LEU  66          HD23      LEU  66   5.671  -3.062   6.284
  495    H    LYS  67           HN       LYS  67   0.583  -2.954   7.749
  496    HA   LYS  67           HA       LYS  67  -1.822  -4.550   7.624
  497    HB2  LYS  67           HB2      LYS  67  -2.572  -3.803   9.930
  498    HB3  LYS  67           HB1      LYS  67  -1.317  -5.029   9.862
  499    HG2  LYS  67           HG2      LYS  67   0.352  -3.174  10.184
  500    HG3  LYS  67           HG1      LYS  67  -1.011  -2.111  10.516
  501    HD2  LYS  67           HD2      LYS  67  -0.109  -2.922  12.618
  502    HD3  LYS  67           HD1      LYS  67  -1.712  -3.615  12.357
  503    HE2  LYS  67           HE2      LYS  67  -0.681  -5.688  11.549
  504    HE3  LYS  67           HE1      LYS  67   0.917  -4.991  11.789
  505    HZ1  LYS  67           HZ1      LYS  67  -1.085  -5.522  13.928
  506    HZ2  LYS  67           HZ2      LYS  67   0.412  -4.803  14.153
  507    HZ3  LYS  67           HZ3      LYS  67   0.333  -6.419  13.632
  508    H    THR  68           HN       THR  68  -1.114  -1.280   8.980
  509    HA   THR  68           HA       THR  68  -3.434  -0.326   7.534
  510    HB   THR  68           HB       THR  68  -3.065   1.770   8.766
  511    HG1  THR  68           HG1      THR  68  -1.344   1.960  10.165
  512   HG21  THR  68          HG21      THR  68  -2.783  -0.656  10.544
  513   HG22  THR  68          HG22      THR  68  -4.303  -0.018   9.922
  514   HG23  THR  68          HG23      THR  68  -3.349   0.929  11.063
  515    H    VAL  69           HN       VAL  69  -2.949   2.094   6.637
  516    HA   VAL  69           HA       VAL  69  -0.844   1.650   4.714
  517    HB   VAL  69           HB       VAL  69  -1.534   3.727   3.602
  518   HG11  VAL  69          HG11      VAL  69  -3.817   3.132   2.968
  519   HG12  VAL  69          HG12      VAL  69  -3.906   2.026   4.339
  520   HG13  VAL  69          HG13      VAL  69  -2.763   1.719   3.033
  521   HG21  VAL  69          HG21      VAL  69  -2.086   5.050   5.560
  522   HG22  VAL  69          HG22      VAL  69  -3.506   4.035   5.855
  523   HG23  VAL  69          HG23      VAL  69  -3.431   5.040   4.418
  524    H    GLY  70           HN       GLY  70  -1.190   3.015   7.725
  525    HA2  GLY  70           HA2      GLY  70   1.022   4.846   7.521
  526    HA3  GLY  70           HA1      GLY  70   0.167   4.389   8.997
  527    H    ASP  71           HN       ASP  71   0.411   1.558   8.479
  528    HA   ASP  71           HA       ASP  71   3.100   1.181   9.439
  529    HB2  ASP  71           HB2      ASP  71   1.275  -0.133  10.412
  530    HB3  ASP  71           HB1      ASP  71   0.942  -0.850   8.839
  531    H    ALA  72           HN       ALA  72   1.314   0.604   6.494
  532    HA   ALA  72           HA       ALA  72   3.202  -1.025   5.205
  533    HB1  ALA  72           HB1      ALA  72   1.194   0.852   3.968
  534    HB2  ALA  72           HB2      ALA  72   0.892  -0.824   4.430
  535    HB3  ALA  72           HB3      ALA  72   2.034  -0.456   3.138
  536    H    THR  73           HN       THR  73   2.936   2.451   5.562
  537    HA   THR  73           HA       THR  73   4.767   3.004   3.569
  538    HB   THR  73           HB       THR  73   4.806   5.273   4.892
  539    HG1  THR  73           HG1      THR  73   2.255   4.548   5.669
  540   HG21  THR  73          HG21      THR  73   3.805   4.941   2.679
  541   HG22  THR  73          HG22      THR  73   2.764   5.935   3.699
  542   HG23  THR  73          HG23      THR  73   2.372   4.237   3.431
  543    H    LYS  74           HN       LYS  74   5.078   1.994   6.810
  544    HA   LYS  74           HA       LYS  74   7.489   3.182   7.591
  545    HB2  LYS  74           HB2      LYS  74   6.043   2.040   9.180
  546    HB3  LYS  74           HB1      LYS  74   6.273   0.513   8.352
  547    HG2  LYS  74           HG2      LYS  74   7.565   0.467  10.344
  548    HG3  LYS  74           HG1      LYS  74   8.688   0.624   8.995
  549    HD2  LYS  74           HD2      LYS  74   8.833   3.040   9.427
  550    HD3  LYS  74           HD1      LYS  74   7.737   2.848  10.798
  551    HE2  LYS  74           HE2      LYS  74   9.363   1.263  11.808
  552    HE3  LYS  74           HE1      LYS  74  10.473   1.613  10.486
  553    HZ1  LYS  74           HZ1      LYS  74  10.436   3.963  11.194
  554    HZ2  LYS  74           HZ2      LYS  74  11.030   2.928  12.385
  555    HZ3  LYS  74           HZ3      LYS  74   9.458   3.524  12.512
  556    H    TYR  75           HN       TYR  75   6.860   0.036   6.067
  557    HA   TYR  75           HA       TYR  75   9.539  -0.814   5.833
  558    HB2  TYR  75           HB2      TYR  75   7.746  -2.415   5.584
  559    HB3  TYR  75           HB1      TYR  75   7.092  -1.541   4.205
  560    HD1  TYR  75           HD1      TYR  75  10.015  -3.521   5.336
  561    HD2  TYR  75           HD2      TYR  75   7.830  -2.027   2.017
  562    HE1  TYR  75           HE1      TYR  75  11.371  -4.888   3.827
  563    HE2  TYR  75           HE2      TYR  75   9.197  -3.394   0.501
  564    HH   TYR  75           HH       TYR  75  11.176  -4.546   0.363
  565    H    ILE  76           HN       ILE  76   7.473   0.981   3.727
  566    HA   ILE  76           HA       ILE  76   9.158   1.067   1.473
  567    HB   ILE  76           HB       ILE  76   6.856   2.788   2.370
  568   HG12  ILE  76          HG12      ILE  76   7.052   0.632   0.258
  569   HG13  ILE  76          HG11      ILE  76   6.437   0.388   1.888
  570   HG21  ILE  76          HG21      ILE  76   6.789   3.629   0.050
  571   HG22  ILE  76          HG22      ILE  76   8.336   2.814  -0.265
  572   HG23  ILE  76          HG23      ILE  76   8.229   4.101   0.947
  573   HD11  ILE  76          HD11      ILE  76   4.645   0.627   0.284
  574   HD12  ILE  76          HD12      ILE  76   5.278   2.214  -0.182
  575   HD13  ILE  76          HD13      ILE  76   4.660   1.951   1.453
  576    H    LEU  77           HN       LEU  77   8.278   3.745   3.678
  577    HA   LEU  77           HA       LEU  77  10.218   5.529   2.960
  578    HB2  LEU  77           HB2      LEU  77   8.488   5.092   5.260
  579    HB3  LEU  77           HB1      LEU  77   9.762   6.297   5.479
  580    HG   LEU  77           HG       LEU  77   8.753   7.563   3.572
  581   HD11  LEU  77          HD11      LEU  77   6.532   6.958   2.762
  582   HD12  LEU  77          HD12      LEU  77   6.589   5.474   3.717
  583   HD13  LEU  77          HD13      LEU  77   7.713   5.704   2.376
  584   HD21  LEU  77          HD21      LEU  77   6.753   8.285   4.784
  585   HD22  LEU  77          HD22      LEU  77   8.154   8.099   5.842
  586   HD23  LEU  77          HD23      LEU  77   6.895   6.865   5.824
  587    H    ASP  78           HN       ASP  78  10.539   2.769   4.950
  588    HA   ASP  78           HA       ASP  78  12.919   3.471   6.303
  589    HB2  ASP  78           HB2      ASP  78  11.630   1.504   6.942
  590    HB3  ASP  78           HB1      ASP  78  11.974   0.754   5.388
  591    H    HIS  79           HN       HIS  79  12.380   1.911   3.185
  592    HA   HIS  79           HA       HIS  79  15.285   2.021   2.653
  593    HB2  HIS  79           HB2      HIS  79  13.100   0.547   1.169
  594    HB3  HIS  79           HB1      HIS  79  14.760   0.632   0.622
  595    HD1  HIS  79           HD1      HIS  79  16.526  -0.709   2.026
  596    HD2  HIS  79           HD2      HIS  79  12.569  -1.326   3.129
  597    HE1  HIS  79           HE1      HIS  79  16.510  -2.856   3.318
  598    HE2  HIS  79           HE2      HIS  79  14.075  -3.373   3.494
  599    H    GLN  80           HN       GLN  80  12.281   2.586   0.865
  600    HA   GLN  80           HA       GLN  80  11.593   3.969  -0.720
  601    HB2  GLN  80           HB2      GLN  80  13.720   5.869   0.248
  602    HB3  GLN  80           HB1      GLN  80  12.290   6.278  -0.692
  603    HG2  GLN  80           HG2      GLN  80  10.914   5.436   1.172
  604    HG3  GLN  80           HG1      GLN  80  12.389   5.242   2.110
  605   HE21  GLN  80          HE21      GLN  80  10.062   7.407   0.926
  606   HE22  GLN  80          HE22      GLN  80  10.733   8.850   1.602
  607    H    ALA  81           HN       ALA  81  12.250   5.330  -2.640
  608    HA   ALA  81           HA       ALA  81  14.552   4.092  -3.953
  609    HB1  ALA  81           HB1      ALA  81  13.365   4.540  -6.035
  610    HB2  ALA  81           HB2      ALA  81  12.036   5.249  -5.121
  611    HB3  ALA  81           HB3      ALA  81  12.406   3.530  -4.954
  612    H28  SXO 101          H28B      SXO 101  -6.253 -10.455   4.983
  613   H28A  SXO 101          H28A      SXO 101  -6.427 -10.413   3.227
  614    H30  SXO 101          H30A      SXO 101  -6.320 -13.954   5.498
  615   H30A  SXO 101          H30C      SXO 101  -5.997 -12.324   6.125
  616   H30B  SXO 101          H30B      SXO 101  -7.656 -12.776   5.649
  617    H31  SXO 101          H31A      SXO 101  -6.852 -14.188   3.058
  618   H31A  SXO 101          H31B      SXO 101  -6.979 -12.700   2.106
  619   H31B  SXO 101          H31C      SXO 101  -8.188 -13.060   3.338
  620    H32  SXO 101          H32A      SXO 101  -4.191 -12.117   4.573
  621   HO33  SXO 101          H33A      SXO 101  -4.191 -14.164   2.922
  622   HN36  SXO 101          H36A      SXO 101  -4.754 -10.306   2.956
  623    H37  SXO 101          H37A      SXO 101  -3.391 -10.883   0.444
  624   H37A  SXO 101          H37B      SXO 101  -4.978 -10.119   0.408
  625    H38  SXO 101          H38B      SXO 101  -3.267  -8.443   0.234
  626   H38A  SXO 101          H38A      SXO 101  -2.516  -9.026   1.727
  627   HN41  SXO 101          H41A      SXO 101  -3.434  -8.652   3.670
  628    H42  SXO 101          H42A      SXO 101  -4.866  -6.222   3.923
  629   H42A  SXO 101          H42B      SXO 101  -5.815  -7.616   4.326
  630    H43  SXO 101          H43B      SXO 101  -4.961  -7.084   6.339
  631   H43A  SXO 101          H43A      SXO 101  -3.920  -8.395   5.784
  632    H2   SXO 101           H2A      SXO 101   0.289  -6.968   4.029
  633    H2A  SXO 101           H2B      SXO 101  -0.028  -5.859   5.363
  634    H3   SXO 101           H3B      SXO 101  -1.241  -5.692   2.624
  635    H3A  SXO 101           H3A      SXO 101  -1.429  -4.516   3.932
  636    H4   SXO 101           H4A      SXO 101   1.210  -5.281   2.686
  637    H4A  SXO 101           H4B      SXO 101   0.926  -3.998   3.863
  638    H5   SXO 101           H5B      SXO 101  -0.186  -4.085   1.066
  639    H5A  SXO 101           H5A      SXO 101  -0.448  -2.801   2.248
  640    H6   SXO 101           H6A      SXO 101   2.225  -3.642   1.131
  641    H6A  SXO 101           H6B      SXO 101   1.943  -2.330   2.278
  642    H7   SXO 101           H7A      SXO 101   0.571  -1.163   0.594
  643    H7A  SXO 101           H7B      SXO 101   0.907  -2.469  -0.557
  644    H8   SXO 101           H8C      SXO 101   3.289  -1.991  -0.384
  645    H8A  SXO 101           H8A      SXO 101   2.953  -0.703   0.773
  646    H8B  SXO 101           H8B      SXO 101   2.389  -0.562  -0.893
  Start of MODEL   16
    1    H1   ALA   1           HT1      ALA   1  13.484   9.588  -4.402
    2    H2   ALA   1           HT2      ALA   1  12.522   8.444  -5.232
    3    H3   ALA   1           HT3      ALA   1  13.956   7.969  -4.499
    4    HA   ALA   1           HA       ALA   1  12.081   7.280  -3.215
    5    HB1  ALA   1           HB1      ALA   1  12.878   8.079  -1.084
    6    HB2  ALA   1           HB2      ALA   1  13.747   9.397  -1.876
    7    HB3  ALA   1           HB3      ALA   1  14.235   7.721  -2.155
    8    H    ALA   2           HN       ALA   2  10.003   7.706  -3.220
    9    HA   ALA   2           HA       ALA   2   8.998  10.426  -2.934
   10    HB1  ALA   2           HB1      ALA   2   6.787   9.381  -3.310
   11    HB2  ALA   2           HB2      ALA   2   7.550   7.793  -3.330
   12    HB3  ALA   2           HB3      ALA   2   7.921   8.964  -4.596
   13    H    THR   3           HN       THR   3   7.647  10.984  -1.135
   14    HA   THR   3           HA       THR   3   8.450   9.364   1.113
   15    HB   THR   3           HB       THR   3   7.202  12.075   1.576
   16    HG1  THR   3           HG1      THR   3   8.868  12.140  -0.221
   17   HG21  THR   3          HG21      THR   3   9.026  12.175   3.267
   18   HG22  THR   3          HG22      THR   3   9.509  10.542   2.781
   19   HG23  THR   3          HG23      THR   3   7.941  10.818   3.539
   20    H    GLN   4           HN       GLN   4   6.676   9.681   3.149
   21    HA   GLN   4           HA       GLN   4   5.044   7.566   2.483
   22    HB2  GLN   4           HB2      GLN   4   4.033   7.745   4.683
   23    HB3  GLN   4           HB1      GLN   4   5.772   7.946   4.768
   24    HG2  GLN   4           HG2      GLN   4   5.522  10.327   5.050
   25    HG3  GLN   4           HG1      GLN   4   3.780  10.196   4.820
   26   HE21  GLN   4          HE21      GLN   4   5.701   7.914   6.684
   27   HE22  GLN   4          HE22      GLN   4   4.996   8.327   8.198
   28    H    GLU   5           HN       GLU   5   4.128  10.987   2.619
   29    HA   GLU   5           HA       GLU   5   1.366  10.490   2.236
   30    HB2  GLU   5           HB2      GLU   5   2.212  12.671   3.017
   31    HB3  GLU   5           HB1      GLU   5   2.984  12.931   1.456
   32    HG2  GLU   5           HG2      GLU   5   0.807  12.940   0.375
   33    HG3  GLU   5           HG1      GLU   5   0.024  12.669   1.932
   34    H    GLU   6           HN       GLU   6   4.003  11.171   0.023
   35    HA   GLU   6           HA       GLU   6   2.626  11.076  -2.423
   36    HB2  GLU   6           HB2      GLU   6   5.456  10.259  -1.757
   37    HB3  GLU   6           HB1      GLU   6   4.841  10.441  -3.387
   38    HG2  GLU   6           HG2      GLU   6   5.032  12.624  -1.334
   39    HG3  GLU   6           HG1      GLU   6   6.169  12.341  -2.651
   40    H    ILE   7           HN       ILE   7   4.131   8.595  -0.457
   41    HA   ILE   7           HA       ILE   7   3.862   6.512  -2.183
   42    HB   ILE   7           HB       ILE   7   3.798   6.348   0.839
   43   HG12  ILE   7          HG12      ILE   7   5.856   7.361   0.019
   44   HG13  ILE   7          HG11      ILE   7   6.191   5.738   0.600
   45   HG21  ILE   7          HG21      ILE   7   4.295   4.171  -1.197
   46   HG22  ILE   7          HG22      ILE   7   2.891   4.313  -0.142
   47   HG23  ILE   7          HG23      ILE   7   4.485   3.998   0.549
   48   HD11  ILE   7          HD11      ILE   7   5.872   6.548  -2.278
   49   HD12  ILE   7          HD12      ILE   7   6.249   4.923  -1.696
   50   HD13  ILE   7          HD13      ILE   7   7.398   6.241  -1.451
   51    H    VAL   8           HN       VAL   8   1.835   7.382   0.644
   52    HA   VAL   8           HA       VAL   8  -0.213   5.513   0.416
   53    HB   VAL   8           HB       VAL   8  -0.316   8.313   1.593
   54   HG11  VAL   8          HG11      VAL   8  -2.570   7.504   1.088
   55   HG12  VAL   8          HG12      VAL   8  -2.279   7.539   2.828
   56   HG13  VAL   8          HG13      VAL   8  -2.226   6.007   1.956
   57   HG21  VAL   8          HG21      VAL   8   1.295   6.830   2.659
   58   HG22  VAL   8          HG22      VAL   8   0.030   5.613   2.868
   59   HG23  VAL   8          HG23      VAL   8  -0.081   7.151   3.718
   60    H    ALA   9           HN       ALA   9  -0.146   8.850  -0.852
   61    HA   ALA   9           HA       ALA   9  -2.677   8.836  -2.016
   62    HB1  ALA   9           HB1      ALA   9  -1.341  10.864  -1.684
   63    HB2  ALA   9           HB2      ALA   9  -1.882  10.716  -3.360
   64    HB3  ALA   9           HB3      ALA   9  -0.217  10.320  -2.931
   65    H    GLY  10           HN       GLY  10   0.405   7.673  -3.226
   66    HA2  GLY  10           HA2      GLY  10  -0.477   7.153  -5.887
   67    HA3  GLY  10           HA1      GLY  10   0.976   6.493  -5.126
   68    H    LEU  11           HN       LEU  11  -0.235   5.267  -2.935
   69    HA   LEU  11           HA       LEU  11  -0.880   2.710  -3.852
   70    HB2  LEU  11           HB2      LEU  11  -1.618   4.033  -1.238
   71    HB3  LEU  11           HB1      LEU  11  -1.817   2.329  -1.557
   72    HG   LEU  11           HG       LEU  11   0.840   3.765  -1.525
   73   HD11  LEU  11          HD11      LEU  11  -0.203   3.724   0.696
   74   HD12  LEU  11          HD12      LEU  11   1.184   2.643   0.623
   75   HD13  LEU  11          HD13      LEU  11  -0.451   1.983   0.549
   76   HD21  LEU  11          HD21      LEU  11   0.154   0.828  -1.577
   77   HD22  LEU  11          HD22      LEU  11   1.777   1.516  -1.497
   78   HD23  LEU  11          HD23      LEU  11   0.781   1.759  -2.934
   79    H    ALA  12           HN       ALA  12  -2.964   5.323  -2.784
   80    HA   ALA  12           HA       ALA  12  -5.383   3.932  -3.082
   81    HB1  ALA  12           HB1      ALA  12  -6.463   6.031  -2.861
   82    HB2  ALA  12           HB2      ALA  12  -4.944   6.899  -3.138
   83    HB3  ALA  12           HB3      ALA  12  -5.157   5.896  -1.687
   84    H    GLU  13           HN       GLU  13  -3.372   5.541  -5.408
   85    HA   GLU  13           HA       GLU  13  -5.368   5.922  -7.375
   86    HB2  GLU  13           HB2      GLU  13  -2.386   5.585  -7.635
   87    HB3  GLU  13           HB1      GLU  13  -3.445   5.947  -8.985
   88    HG2  GLU  13           HG2      GLU  13  -4.102   8.036  -7.882
   89    HG3  GLU  13           HG1      GLU  13  -2.996   7.665  -6.558
   90    H    ILE  14           HN       ILE  14  -3.154   3.250  -6.707
   91    HA   ILE  14           HA       ILE  14  -4.367   1.794  -8.865
   92    HB   ILE  14           HB       ILE  14  -2.565   0.571  -6.727
   93   HG12  ILE  14          HG12      ILE  14  -0.898   0.553  -8.780
   94   HG13  ILE  14          HG11      ILE  14  -1.864   1.908  -9.331
   95   HG21  ILE  14          HG21      ILE  14  -2.225  -1.223  -8.366
   96   HG22  ILE  14          HG22      ILE  14  -3.382  -0.421  -9.441
   97   HG23  ILE  14          HG23      ILE  14  -3.917  -1.049  -7.881
   98   HD11  ILE  14          HD11      ILE  14  -1.328   3.081  -7.211
   99   HD12  ILE  14          HD12      ILE  14   0.081   2.707  -8.200
  100   HD13  ILE  14          HD13      ILE  14  -0.265   1.732  -6.780
  101    H    VAL  15           HN       VAL  15  -4.697   1.920  -5.365
  102    HA   VAL  15           HA       VAL  15  -6.483  -0.234  -5.200
  103    HB   VAL  15           HB       VAL  15  -6.139   2.072  -3.225
  104   HG11  VAL  15          HG11      VAL  15  -7.682  -0.495  -2.874
  105   HG12  VAL  15          HG12      VAL  15  -8.389   1.116  -3.014
  106   HG13  VAL  15          HG13      VAL  15  -7.374   0.715  -1.627
  107   HG21  VAL  15          HG21      VAL  15  -4.216   0.565  -3.390
  108   HG22  VAL  15          HG22      VAL  15  -5.298  -0.813  -3.137
  109   HG23  VAL  15          HG23      VAL  15  -5.076   0.362  -1.854
  110    H    ASN  16           HN       ASN  16  -7.004   2.986  -6.259
  111    HA   ASN  16           HA       ASN  16  -9.815   3.054  -6.103
  112    HB2  ASN  16           HB2      ASN  16  -8.476   5.072  -6.536
  113    HB3  ASN  16           HB1      ASN  16  -7.958   4.414  -8.081
  114   HD21  ASN  16          HD21      ASN  16 -10.612   5.845  -6.300
  115   HD22  ASN  16          HD22      ASN  16 -11.576   6.184  -7.685
  116    H    GLU  17           HN       GLU  17  -7.630   1.510  -8.336
  117    HA   GLU  17           HA       GLU  17  -9.780   0.759 -10.125
  118    HB2  GLU  17           HB2      GLU  17  -7.498   1.031 -11.034
  119    HB3  GLU  17           HB1      GLU  17  -6.930  -0.273  -9.991
  120    HG2  GLU  17           HG2      GLU  17  -8.461  -1.826 -11.139
  121    HG3  GLU  17           HG1      GLU  17  -8.956  -0.517 -12.205
  122    H    ILE  18           HN       ILE  18  -7.772  -0.694  -7.666
  123    HA   ILE  18           HA       ILE  18  -8.643  -3.344  -7.786
  124    HB   ILE  18           HB       ILE  18  -7.747  -1.804  -5.331
  125   HG12  ILE  18          HG12      ILE  18  -6.071  -1.706  -7.097
  126   HG13  ILE  18          HG11      ILE  18  -5.515  -2.752  -5.797
  127   HG21  ILE  18          HG21      ILE  18  -7.117  -3.982  -4.396
  128   HG22  ILE  18          HG22      ILE  18  -7.811  -4.784  -5.803
  129   HG23  ILE  18          HG23      ILE  18  -8.850  -3.879  -4.702
  130   HD11  ILE  18          HD11      ILE  18  -6.667  -3.648  -8.428
  131   HD12  ILE  18          HD12      ILE  18  -6.109  -4.710  -7.135
  132   HD13  ILE  18          HD13      ILE  18  -4.961  -3.666  -7.973
  133    H    ALA  19           HN       ALA  19  -9.846  -0.735  -5.677
  134    HA   ALA  19           HA       ALA  19 -12.299  -2.323  -5.339
  135    HB1  ALA  19           HB1      ALA  19 -10.944  -2.361  -3.322
  136    HB2  ALA  19           HB2      ALA  19 -12.489  -1.543  -3.072
  137    HB3  ALA  19           HB3      ALA  19 -11.008  -0.599  -3.250
  138    H    GLY  20           HN       GLY  20 -10.936   0.948  -5.364
  139    HA2  GLY  20           HA2      GLY  20 -12.080   2.666  -6.637
  140    HA3  GLY  20           HA1      GLY  20 -13.597   1.861  -6.263
  141    H    ILE  21           HN       ILE  21 -10.885   3.009  -4.308
  142    HA   ILE  21           HA       ILE  21 -12.811   4.341  -2.579
  143    HB   ILE  21           HB       ILE  21 -10.700   4.680  -1.096
  144   HG12  ILE  21          HG12      ILE  21  -9.085   2.766  -1.227
  145   HG13  ILE  21          HG11      ILE  21  -9.787   2.332  -2.774
  146   HG21  ILE  21          HG21      ILE  21 -11.058   2.560   0.037
  147   HG22  ILE  21          HG22      ILE  21 -12.061   2.022  -1.322
  148   HG23  ILE  21          HG23      ILE  21 -12.531   3.434  -0.363
  149   HD11  ILE  21          HD11      ILE  21  -7.696   3.513  -3.046
  150   HD12  ILE  21          HD12      ILE  21  -8.324   4.890  -2.133
  151   HD13  ILE  21          HD13      ILE  21  -9.026   4.467  -3.696
  152    HA   PRO  22           HA       PRO  22 -11.452   8.375  -3.784
  153    HB2  PRO  22           HB2      PRO  22 -11.484   9.232  -0.970
  154    HB3  PRO  22           HB1      PRO  22 -12.531   9.746  -2.297
  155    HG2  PRO  22           HG2      PRO  22 -13.471   8.236  -0.304
  156    HG3  PRO  22           HG1      PRO  22 -14.020   7.994  -1.974
  157    HD2  PRO  22           HD2      PRO  22 -11.934   6.489  -0.432
  158    HD3  PRO  22           HD1      PRO  22 -13.256   5.816  -1.401
  159    H    VAL  23           HN       VAL  23  -9.467   9.162  -4.157
  160    HA   VAL  23           HA       VAL  23  -7.224   7.933  -3.082
  161    HB   VAL  23           HB       VAL  23  -7.325   8.891  -5.334
  162   HG11  VAL  23          HG11      VAL  23  -7.243  11.575  -3.989
  163   HG12  VAL  23          HG12      VAL  23  -8.573  10.904  -4.937
  164   HG13  VAL  23          HG13      VAL  23  -7.038  11.290  -5.718
  165   HG21  VAL  23          HG21      VAL  23  -5.188   8.445  -4.364
  166   HG22  VAL  23          HG22      VAL  23  -5.165  10.045  -3.614
  167   HG23  VAL  23          HG23      VAL  23  -5.093   9.892  -5.379
  168    H    GLU  24           HN       GLU  24  -8.847  10.905  -2.134
  169    HA   GLU  24           HA       GLU  24  -6.665  11.669  -0.374
  170    HB2  GLU  24           HB2      GLU  24  -9.389  12.880  -0.787
  171    HB3  GLU  24           HB1      GLU  24  -8.105  13.570   0.191
  172    HG2  GLU  24           HG2      GLU  24  -6.760  13.972  -1.722
  173    HG3  GLU  24           HG1      GLU  24  -7.845  13.027  -2.747
  174    H    ASP  25           HN       ASP  25  -9.110   9.425  -0.135
  175    HA   ASP  25           HA       ASP  25  -9.919  10.081   2.579
  176    HB2  ASP  25           HB2      ASP  25 -11.519   9.060   0.943
  177    HB3  ASP  25           HB1      ASP  25 -10.538   7.600   0.954
  178    H    VAL  26           HN       VAL  26  -7.744   8.109   0.886
  179    HA   VAL  26           HA       VAL  26  -7.071   6.381   3.087
  180    HB   VAL  26           HB       VAL  26  -5.631   6.783   0.452
  181   HG11  VAL  26          HG11      VAL  26  -4.305   5.612   2.126
  182   HG12  VAL  26          HG12      VAL  26  -4.787   4.514   0.834
  183   HG13  VAL  26          HG13      VAL  26  -5.621   4.467   2.388
  184   HG21  VAL  26          HG21      VAL  26  -6.897   4.846  -0.372
  185   HG22  VAL  26          HG22      VAL  26  -7.954   6.203   0.023
  186   HG23  VAL  26          HG23      VAL  26  -7.835   4.832   1.122
  187    H    LYS  27           HN       LYS  27  -6.353   7.728   4.682
  188    HA   LYS  27           HA       LYS  27  -3.821   9.085   4.141
  189    HB2  LYS  27           HB2      LYS  27  -5.761   9.460   6.437
  190    HB3  LYS  27           HB1      LYS  27  -4.166  10.203   6.378
  191    HG2  LYS  27           HG2      LYS  27  -6.400  10.653   4.408
  192    HG3  LYS  27           HG1      LYS  27  -5.876  11.771   5.673
  193    HD2  LYS  27           HD2      LYS  27  -3.717  12.004   4.648
  194    HD3  LYS  27           HD1      LYS  27  -4.102  10.761   3.460
  195    HE2  LYS  27           HE2      LYS  27  -5.881  12.196   2.568
  196    HE3  LYS  27           HE1      LYS  27  -5.433  13.451   3.730
  197    HZ1  LYS  27           HZ1      LYS  27  -4.380  13.827   1.538
  198    HZ2  LYS  27           HZ2      LYS  27  -3.630  12.311   1.676
  199    HZ3  LYS  27           HZ3      LYS  27  -3.254  13.539   2.758
  200    H    LEU  28           HN       LEU  28  -2.521   9.034   6.448
  201    HA   LEU  28           HA       LEU  28  -1.223   6.603   6.301
  202    HB2  LEU  28           HB2      LEU  28  -1.147   8.725   8.418
  203    HB3  LEU  28           HB1      LEU  28  -0.178   7.278   8.551
  204    HG   LEU  28           HG       LEU  28   1.196   9.038   7.736
  205   HD11  LEU  28          HD11      LEU  28   2.008   8.133   5.626
  206   HD12  LEU  28          HD12      LEU  28   0.544   7.157   5.500
  207   HD13  LEU  28          HD13      LEU  28   1.672   6.883   6.826
  208   HD21  LEU  28          HD21      LEU  28  -0.487  10.541   6.818
  209   HD22  LEU  28          HD22      LEU  28  -0.783   9.425   5.484
  210   HD23  LEU  28          HD23      LEU  28   0.778  10.233   5.628
  211    H    ASP  29           HN       ASP  29  -3.774   7.454   8.532
  212    HA   ASP  29           HA       ASP  29  -3.323   5.042  10.083
  213    HB2  ASP  29           HB2      ASP  29  -5.449   7.160  10.337
  214    HB3  ASP  29           HB1      ASP  29  -5.316   5.774  11.412
  215    H    LYS  30           HN       LYS  30  -4.478   5.192   7.182
  216    HA   LYS  30           HA       LYS  30  -6.845   3.546   7.653
  217    HB2  LYS  30           HB2      LYS  30  -5.761   4.748   5.096
  218    HB3  LYS  30           HB1      LYS  30  -7.216   3.771   5.205
  219    HG2  LYS  30           HG2      LYS  30  -6.769   6.443   6.533
  220    HG3  LYS  30           HG1      LYS  30  -7.756   6.143   5.098
  221    HD2  LYS  30           HD2      LYS  30  -9.203   4.678   6.407
  222    HD3  LYS  30           HD1      LYS  30  -8.208   4.962   7.829
  223    HE2  LYS  30           HE2      LYS  30  -8.787   7.328   7.751
  224    HE3  LYS  30           HE1      LYS  30  -9.792   7.036   6.328
  225    HZ1  LYS  30           HZ1      LYS  30 -11.216   7.028   8.244
  226    HZ2  LYS  30           HZ2      LYS  30 -10.239   5.929   9.062
  227    HZ3  LYS  30           HZ3      LYS  30 -11.086   5.453   7.684
  228    H    SER  31           HN       SER  31  -6.929   1.416   7.107
  229    HA   SER  31           HA       SER  31  -4.549   0.146   6.006
  230    HB2  SER  31           HB2      SER  31  -5.679  -1.847   7.134
  231    HB3  SER  31           HB1      SER  31  -4.991  -0.609   8.200
  232    HG   SER  31           HG       SER  31  -6.917  -0.488   8.988
  233    H    PHE  32           HN       PHE  32  -5.281  -1.934   4.652
  234    HA   PHE  32           HA       PHE  32  -6.879  -0.763   2.619
  235    HB2  PHE  32           HB2      PHE  32  -5.476  -3.419   2.779
  236    HB3  PHE  32           HB1      PHE  32  -6.268  -2.783   1.342
  237    HD1  PHE  32           HD1      PHE  32  -3.396  -2.420   3.609
  238    HD2  PHE  32           HD2      PHE  32  -5.274  -1.008   0.055
  239    HE1  PHE  32           HE1      PHE  32  -1.323  -1.256   2.983
  240    HE2  PHE  32           HE2      PHE  32  -3.199   0.159  -0.575
  241    HZ   PHE  32           HZ       PHE  32  -1.224   0.035   0.888
  242    H    THR  33           HN       THR  33  -7.368  -3.438   4.904
  243    HA   THR  33           HA       THR  33 -10.059  -3.493   3.810
  244    HB   THR  33           HB       THR  33  -8.897  -5.342   2.872
  245    HG1  THR  33           HG1      THR  33 -11.060  -5.717   3.510
  246   HG21  THR  33          HG21      THR  33  -7.941  -7.185   4.230
  247   HG22  THR  33          HG22      THR  33  -8.264  -6.238   5.682
  248   HG23  THR  33          HG23      THR  33  -7.119  -5.644   4.482
  249    H    ASP  34           HN       ASP  34  -9.010  -2.188   6.063
  250    HA   ASP  34           HA       ASP  34 -10.848  -3.311   8.050
  251    HB2  ASP  34           HB2      ASP  34  -8.174  -2.002   8.607
  252    HB3  ASP  34           HB1      ASP  34  -9.404  -2.207   9.840
  253    H    ASP  35           HN       ASP  35  -9.026  -0.342   7.458
  254    HA   ASP  35           HA       ASP  35 -11.361   1.228   8.077
  255    HB2  ASP  35           HB2      ASP  35  -8.644   1.988   7.051
  256    HB3  ASP  35           HB1      ASP  35  -9.936   3.142   7.121
  257    H    LEU  36           HN       LEU  36  -9.668   0.228   5.152
  258    HA   LEU  36           HA       LEU  36 -11.569   1.749   3.590
  259    HB2  LEU  36           HB2      LEU  36  -9.282   0.005   2.651
  260    HB3  LEU  36           HB1      LEU  36 -10.259   1.088   1.674
  261    HG   LEU  36           HG       LEU  36  -8.351   1.943   3.836
  262   HD11  LEU  36          HD11      LEU  36  -7.205   1.056   1.887
  263   HD12  LEU  36          HD12      LEU  36  -7.013   2.809   1.984
  264   HD13  LEU  36          HD13      LEU  36  -8.150   2.109   0.834
  265   HD21  LEU  36          HD21      LEU  36  -8.783   4.200   2.992
  266   HD22  LEU  36          HD22      LEU  36 -10.249   3.424   3.615
  267   HD23  LEU  36          HD23      LEU  36  -9.985   3.537   1.875
  268    H    ASP  37           HN       ASP  37 -12.162   0.367   1.525
  269    HA   ASP  37           HA       ASP  37 -13.268  -2.166   2.476
  270    HB2  ASP  37           HB2      ASP  37 -15.064  -0.411   2.438
  271    HB3  ASP  37           HB1      ASP  37 -14.727  -0.135   0.737
  272    H    VAL  38           HN       VAL  38 -11.365  -2.855   1.568
  273    HA   VAL  38           HA       VAL  38 -11.315  -3.015  -1.362
  274    HB   VAL  38           HB       VAL  38  -8.933  -2.685   0.476
  275   HG11  VAL  38          HG11      VAL  38  -8.407  -3.963  -1.499
  276   HG12  VAL  38          HG12      VAL  38  -7.640  -2.379  -1.576
  277   HG13  VAL  38          HG13      VAL  38  -9.087  -2.704  -2.531
  278   HG21  VAL  38          HG21      VAL  38 -10.171  -0.635  -1.358
  279   HG22  VAL  38          HG22      VAL  38  -8.652  -0.443  -0.482
  280   HG23  VAL  38          HG23      VAL  38 -10.169  -0.598   0.404
  281    H    ASP  39           HN       ASP  39 -11.701  -5.120  -1.703
  282    HA   ASP  39           HA       ASP  39 -11.411  -7.256  -0.011
  283    HB2  ASP  39           HB2      ASP  39 -12.442  -7.319  -2.302
  284    HB3  ASP  39           HB1      ASP  39 -10.791  -7.299  -2.931
  285    H    SER  40           HN       SER  40  -9.823  -8.249   0.801
  286    HA   SER  40           HA       SER  40  -7.213  -7.148   0.629
  287    HB2  SER  40           HB2      SER  40  -6.665  -8.791   2.322
  288    HB3  SER  40           HB1      SER  40  -8.178  -7.886   2.642
  289    H    LEU  41           HN       LEU  41  -8.720 -10.065  -0.552
  290    HA   LEU  41           HA       LEU  41  -6.340 -11.404  -1.191
  291    HB2  LEU  41           HB2      LEU  41  -9.124 -11.691  -2.357
  292    HB3  LEU  41           HB1      LEU  41  -7.797 -12.714  -2.844
  293    HG   LEU  41           HG       LEU  41  -7.647 -13.508  -0.450
  294   HD11  LEU  41          HD11      LEU  41  -8.791 -11.716   0.696
  295   HD12  LEU  41          HD12      LEU  41  -9.615 -13.250   0.977
  296   HD13  LEU  41          HD13      LEU  41 -10.285 -12.089  -0.166
  297   HD21  LEU  41          HD21      LEU  41  -8.682 -14.843  -2.181
  298   HD22  LEU  41          HD22      LEU  41 -10.217 -14.010  -1.931
  299   HD23  LEU  41          HD23      LEU  41  -9.549 -15.030  -0.656
  300    H    SER  42           HN       SER  42  -8.296  -9.034  -2.650
  301    HA   SER  42           HA       SER  42  -7.146  -8.993  -5.264
  302    HB2  SER  42           HB2      SER  42  -8.858  -7.076  -3.751
  303    HB3  SER  42           HB1      SER  42  -8.603  -7.028  -5.514
  304    HG   SER  42           HG       SER  42  -9.777  -9.152  -3.999
  305    H    MET  43           HN       MET  43  -6.185  -7.704  -2.178
  306    HA   MET  43           HA       MET  43  -5.014  -5.232  -3.035
  307    HB2  MET  43           HB2      MET  43  -5.583  -5.860  -0.624
  308    HB3  MET  43           HB1      MET  43  -4.119  -6.842  -0.643
  309    HG2  MET  43           HG2      MET  43  -2.932  -4.702  -1.391
  310    HG3  MET  43           HG1      MET  43  -4.379  -3.858  -0.857
  311    HE1  MET  43           HE1      MET  43  -1.179  -5.760   0.046
  312    HE2  MET  43           HE2      MET  43  -2.375  -6.967   0.536
  313    HE3  MET  43           HE3      MET  43  -1.389  -6.156   1.751
  314    H    VAL  44           HN       VAL  44  -4.055  -8.430  -3.152
  315    HA   VAL  44           HA       VAL  44  -1.275  -8.313  -3.318
  316    HB   VAL  44           HB       VAL  44  -3.102 -10.078  -4.990
  317   HG11  VAL  44          HG11      VAL  44  -0.816 -10.064  -5.848
  318   HG12  VAL  44          HG12      VAL  44  -1.198 -11.618  -5.105
  319   HG13  VAL  44          HG13      VAL  44  -0.198 -10.449  -4.240
  320   HG21  VAL  44          HG21      VAL  44  -1.840 -10.580  -2.294
  321   HG22  VAL  44          HG22      VAL  44  -2.797 -11.742  -3.215
  322   HG23  VAL  44          HG23      VAL  44  -3.542 -10.269  -2.596
  323    H    GLU  45           HN       GLU  45  -3.717  -7.616  -5.778
  324    HA   GLU  45           HA       GLU  45  -1.910  -7.293  -7.907
  325    HB2  GLU  45           HB2      GLU  45  -4.686  -6.168  -7.597
  326    HB3  GLU  45           HB1      GLU  45  -3.758  -6.190  -9.088
  327    HG2  GLU  45           HG2      GLU  45  -3.700  -8.680  -8.912
  328    HG3  GLU  45           HG1      GLU  45  -4.829  -8.538  -7.563
  329    H    VAL  46           HN       VAL  46  -2.987  -5.093  -5.392
  330    HA   VAL  46           HA       VAL  46  -1.780  -2.904  -6.817
  331    HB   VAL  46           HB       VAL  46  -3.830  -2.352  -5.648
  332   HG11  VAL  46          HG11      VAL  46  -3.785  -3.901  -3.821
  333   HG12  VAL  46          HG12      VAL  46  -4.013  -2.256  -3.229
  334   HG13  VAL  46          HG13      VAL  46  -2.434  -3.036  -3.090
  335   HG21  VAL  46          HG21      VAL  46  -2.231  -0.555  -5.887
  336   HG22  VAL  46          HG22      VAL  46  -1.462  -1.003  -4.368
  337   HG23  VAL  46          HG23      VAL  46  -3.111  -0.375  -4.370
  338    H    VAL  47           HN       VAL  47  -1.014  -4.937  -4.046
  339    HA   VAL  47           HA       VAL  47   1.161  -3.329  -3.248
  340    HB   VAL  47           HB       VAL  47   0.216  -5.001  -1.695
  341   HG11  VAL  47          HG11      VAL  47   1.533  -7.074  -3.418
  342   HG12  VAL  47          HG12      VAL  47  -0.199  -6.829  -3.213
  343   HG13  VAL  47          HG13      VAL  47   0.784  -7.365  -1.847
  344   HG21  VAL  47          HG21      VAL  47   2.319  -5.841  -0.746
  345   HG22  VAL  47          HG22      VAL  47   2.428  -4.151  -1.235
  346   HG23  VAL  47          HG23      VAL  47   3.149  -5.409  -2.240
  347    H    VAL  48           HN       VAL  48   1.021  -6.008  -5.547
  348    HA   VAL  48           HA       VAL  48   3.824  -6.060  -5.984
  349    HB   VAL  48           HB       VAL  48   2.294  -7.960  -6.554
  350   HG11  VAL  48          HG11      VAL  48   1.452  -6.270  -8.886
  351   HG12  VAL  48          HG12      VAL  48   0.450  -6.791  -7.531
  352   HG13  VAL  48          HG13      VAL  48   1.079  -7.980  -8.671
  353   HG21  VAL  48          HG21      VAL  48   4.536  -7.957  -7.478
  354   HG22  VAL  48          HG22      VAL  48   3.991  -6.990  -8.850
  355   HG23  VAL  48          HG23      VAL  48   3.403  -8.639  -8.645
  356    H    ALA  49           HN       ALA  49   1.338  -4.019  -7.091
  357    HA   ALA  49           HA       ALA  49   2.827  -2.940  -9.331
  358    HB1  ALA  49           HB1      ALA  49   0.913  -1.430  -9.572
  359    HB2  ALA  49           HB2      ALA  49   0.241  -2.039  -8.059
  360    HB3  ALA  49           HB3      ALA  49   0.385  -3.109  -9.452
  361    H    ALA  50           HN       ALA  50   2.196  -2.283  -6.003
  362    HA   ALA  50           HA       ALA  50   2.962   0.412  -5.992
  363    HB1  ALA  50           HB1      ALA  50   1.572  -0.573  -4.223
  364    HB2  ALA  50           HB2      ALA  50   3.002   0.210  -3.553
  365    HB3  ALA  50           HB3      ALA  50   2.939  -1.546  -3.687
  366    H    GLU  51           HN       GLU  51   4.723  -2.574  -5.637
  367    HA   GLU  51           HA       GLU  51   7.147  -1.702  -4.616
  368    HB2  GLU  51           HB2      GLU  51   6.781  -3.706  -6.851
  369    HB3  GLU  51           HB1      GLU  51   8.182  -3.566  -5.802
  370    HG2  GLU  51           HG2      GLU  51   6.745  -4.164  -3.884
  371    HG3  GLU  51           HG1      GLU  51   5.409  -4.406  -5.008
  372    H    GLU  52           HN       GLU  52   6.302  -2.019  -8.002
  373    HA   GLU  52           HA       GLU  52   8.608  -0.686  -8.950
  374    HB2  GLU  52           HB2      GLU  52   7.325  -0.701 -11.135
  375    HB3  GLU  52           HB1      GLU  52   7.701  -2.250 -10.392
  376    HG2  GLU  52           HG2      GLU  52   5.500  -2.528  -9.629
  377    HG3  GLU  52           HG1      GLU  52   5.026  -0.884 -10.038
  378    H    ARG  53           HN       ARG  53   5.324   0.413  -8.294
  379    HA   ARG  53           HA       ARG  53   5.502   2.852  -9.718
  380    HB2  ARG  53           HB2      ARG  53   3.435   1.539  -8.655
  381    HB3  ARG  53           HB1      ARG  53   3.748   2.603  -7.298
  382    HG2  ARG  53           HG2      ARG  53   3.080   3.480 -10.118
  383    HG3  ARG  53           HG1      ARG  53   1.971   3.458  -8.757
  384    HD2  ARG  53           HD2      ARG  53   3.280   5.164  -7.634
  385    HD3  ARG  53           HD1      ARG  53   4.485   5.119  -8.917
  386    HE   ARG  53           HE       ARG  53   1.694   5.902  -9.452
  387   HH11  ARG  53          HH11      ARG  53   5.156   6.552  -9.668
  388   HH12  ARG  53          HH12      ARG  53   4.996   8.034 -10.495
  389   HH21  ARG  53          HH21      ARG  53   1.454   7.916 -10.697
  390   HH22  ARG  53          HH22      ARG  53   2.819   8.816 -11.112
  391    H    PHE  54           HN       PHE  54   6.299   1.947  -6.392
  392    HA   PHE  54           HA       PHE  54   6.893   4.742  -5.866
  393    HB2  PHE  54           HB2      PHE  54   6.510   2.475  -3.928
  394    HB3  PHE  54           HB1      PHE  54   6.862   4.148  -3.480
  395    HD1  PHE  54           HD2      PHE  54   5.329   5.920  -4.650
  396    HD2  PHE  54           HD1      PHE  54   4.335   1.846  -4.031
  397    HE1  PHE  54           HE2      PHE  54   2.961   6.456  -4.919
  398    HE2  PHE  54           HE1      PHE  54   1.972   2.374  -4.309
  399    HZ   PHE  54           HZ       PHE  54   1.284   4.666  -4.751
  400    H    ASP  55           HN       ASP  55   8.575   2.493  -7.174
  401    HA   ASP  55           HA       ASP  55  10.777   1.926  -7.416
  402    HB2  ASP  55           HB2      ASP  55  11.302   4.383  -5.710
  403    HB3  ASP  55           HB1      ASP  55  12.508   3.520  -6.641
  404    H    VAL  56           HN       VAL  56   9.601   0.391  -5.603
  405    HA   VAL  56           HA       VAL  56  11.691   0.027  -3.636
  406    HB   VAL  56           HB       VAL  56   9.822   1.423  -2.669
  407   HG11  VAL  56          HG11      VAL  56   8.167  -1.053  -2.921
  408   HG12  VAL  56          HG12      VAL  56   7.911   0.507  -3.701
  409   HG13  VAL  56          HG13      VAL  56   7.740   0.358  -1.955
  410   HG21  VAL  56          HG21      VAL  56   9.681   0.233  -0.500
  411   HG22  VAL  56          HG22      VAL  56  11.320   0.260  -1.155
  412   HG23  VAL  56          HG23      VAL  56  10.347  -1.207  -1.274
  413    H    LYS  57           HN       LYS  57  10.654  -2.155  -2.312
  414    HA   LYS  57           HA       LYS  57   9.588  -4.028  -4.209
  415    HB2  LYS  57           HB2      LYS  57  12.202  -4.050  -4.260
  416    HB3  LYS  57           HB1      LYS  57  12.115  -4.619  -2.605
  417    HG2  LYS  57           HG2      LYS  57  10.892  -6.061  -4.961
  418    HG3  LYS  57           HG1      LYS  57  12.495  -6.396  -4.318
  419    HD2  LYS  57           HD2      LYS  57  11.572  -7.141  -2.237
  420    HD3  LYS  57           HD1      LYS  57   9.964  -6.575  -2.690
  421    HE2  LYS  57           HE2      LYS  57  11.514  -8.807  -3.994
  422    HE3  LYS  57           HE1      LYS  57  10.124  -8.985  -2.927
  423    HZ1  LYS  57           HZ1      LYS  57   8.822  -7.681  -4.607
  424    HZ2  LYS  57           HZ2      LYS  57   9.394  -9.188  -5.160
  425    HZ3  LYS  57           HZ3      LYS  57  10.159  -7.786  -5.644
  426    H    ILE  58           HN       ILE  58   8.200  -5.350  -3.041
  427    HA   ILE  58           HA       ILE  58   8.337  -5.140  -0.128
  428    HB   ILE  58           HB       ILE  58   5.723  -5.014  -1.690
  429   HG12  ILE  58          HG12      ILE  58   7.111  -2.738  -0.235
  430   HG13  ILE  58          HG11      ILE  58   7.083  -2.925  -1.982
  431   HG21  ILE  58          HG21      ILE  58   6.359  -4.589   1.242
  432   HG22  ILE  58          HG22      ILE  58   5.565  -6.002   0.546
  433   HG23  ILE  58          HG23      ILE  58   4.763  -4.433   0.504
  434   HD11  ILE  58          HD11      ILE  58   5.448  -1.292  -1.234
  435   HD12  ILE  58          HD12      ILE  58   4.684  -2.506  -0.208
  436   HD13  ILE  58          HD13      ILE  58   4.649  -2.688  -1.961
  437    HA   PRO  59           HA       PRO  59   8.339  -9.549  -1.237
  438    HB2  PRO  59           HB2      PRO  59   9.026 -10.294   1.334
  439    HB3  PRO  59           HB1      PRO  59  10.192  -9.904   0.066
  440    HG2  PRO  59           HG2      PRO  59   9.168  -8.216   2.291
  441    HG3  PRO  59           HG1      PRO  59  10.809  -8.333   1.629
  442    HD2  PRO  59           HD2      PRO  59   9.174  -6.291   1.044
  443    HD3  PRO  59           HD1      PRO  59  10.322  -6.943  -0.147
  444    H    ASP  60           HN       ASP  60   6.633 -10.781  -1.160
  445    HA   ASP  60           HA       ASP  60   4.200 -10.066  -0.066
  446    HB2  ASP  60           HB2      ASP  60   4.363 -11.602  -1.928
  447    HB3  ASP  60           HB1      ASP  60   5.134 -12.811  -0.910
  448    H    ASP  61           HN       ASP  61   6.682 -12.050   1.389
  449    HA   ASP  61           HA       ASP  61   5.117 -13.044   3.539
  450    HB2  ASP  61           HB2      ASP  61   7.177 -13.637   4.686
  451    HB3  ASP  61           HB1      ASP  61   7.348 -14.018   2.982
  452    H    ASP  62           HN       ASP  62   6.792 -10.027   3.072
  453    HA   ASP  62           HA       ASP  62   6.516  -9.324   5.869
  454    HB2  ASP  62           HB2      ASP  62   8.529  -8.739   4.312
  455    HB3  ASP  62           HB1      ASP  62   7.506  -7.426   3.742
  456    H    VAL  63           HN       VAL  63   4.956  -8.876   2.884
  457    HA   VAL  63           HA       VAL  63   3.334  -6.648   3.254
  458    HB   VAL  63           HB       VAL  63   2.639  -9.292   1.911
  459   HG11  VAL  63          HG11      VAL  63   0.596  -8.062   2.425
  460   HG12  VAL  63          HG12      VAL  63   0.912  -8.053   0.687
  461   HG13  VAL  63          HG13      VAL  63   1.259  -6.621   1.654
  462   HG21  VAL  63          HG21      VAL  63   3.626  -6.689   0.766
  463   HG22  VAL  63          HG22      VAL  63   3.177  -8.120  -0.162
  464   HG23  VAL  63          HG23      VAL  63   4.559  -8.176   0.929
  465    H    LYS  64           HN       LYS  64   2.535 -10.035   4.000
  466    HA   LYS  64           HA       LYS  64   0.076  -9.557   5.299
  467    HB2  LYS  64           HB2      LYS  64   1.950 -11.865   5.821
  468    HB3  LYS  64           HB1      LYS  64   0.250 -11.804   6.220
  469    HG2  LYS  64           HG2      LYS  64  -0.233 -11.682   3.758
  470    HG3  LYS  64           HG1      LYS  64   1.494 -11.968   3.482
  471    HD2  LYS  64           HD2      LYS  64   1.316 -14.029   4.875
  472    HD3  LYS  64           HD1      LYS  64  -0.416 -13.762   4.984
  473    HE2  LYS  64           HE2      LYS  64  -0.012 -15.413   3.303
  474    HE3  LYS  64           HE1      LYS  64  -0.525 -13.935   2.500
  475    HZ1  LYS  64           HZ1      LYS  64   2.330 -14.642   2.830
  476    HZ2  LYS  64           HZ2      LYS  64   1.677 -13.584   1.670
  477    HZ3  LYS  64           HZ3      LYS  64   1.421 -15.242   1.584
  478    H    ASN  65           HN       ASN  65   3.227  -8.970   6.405
  479    HA   ASN  65           HA       ASN  65   2.648  -9.403   9.206
  480    HB2  ASN  65           HB2      ASN  65   4.876  -9.965   8.284
  481    HB3  ASN  65           HB1      ASN  65   5.124  -8.275   7.875
  482   HD21  ASN  65          HD21      ASN  65   4.907 -10.603  10.462
  483   HD22  ASN  65          HD22      ASN  65   5.652  -9.615  11.661
  484    H    LEU  66           HN       LEU  66   2.515  -6.836   6.925
  485    HA   LEU  66           HA       LEU  66   2.523  -4.714   8.968
  486    HB2  LEU  66           HB2      LEU  66   2.214  -4.585   5.973
  487    HB3  LEU  66           HB1      LEU  66   2.386  -3.216   7.052
  488    HG   LEU  66           HG       LEU  66   4.495  -5.289   6.441
  489   HD11  LEU  66          HD11      LEU  66   4.322  -2.381   5.924
  490   HD12  LEU  66          HD12      LEU  66   4.026  -3.628   4.703
  491   HD13  LEU  66          HD13      LEU  66   5.649  -3.428   5.411
  492   HD21  LEU  66          HD21      LEU  66   5.978  -3.929   7.824
  493   HD22  LEU  66          HD22      LEU  66   4.634  -4.560   8.777
  494   HD23  LEU  66          HD23      LEU  66   4.628  -2.876   8.252
  495    H    LYS  67           HN       LYS  67   0.708  -2.969   8.259
  496    HA   LYS  67           HA       LYS  67  -1.750  -4.357   7.644
  497    HB2  LYS  67           HB2      LYS  67  -2.987  -3.644   9.632
  498    HB3  LYS  67           HB1      LYS  67  -1.715  -4.804   9.953
  499    HG2  LYS  67           HG2      LYS  67  -0.310  -3.045  10.843
  500    HG3  LYS  67           HG1      LYS  67  -1.539  -1.845  10.456
  501    HD2  LYS  67           HD2      LYS  67  -1.949  -4.172  12.352
  502    HD3  LYS  67           HD1      LYS  67  -1.754  -2.480  12.820
  503    HE2  LYS  67           HE2      LYS  67  -3.805  -1.859  11.761
  504    HE3  LYS  67           HE1      LYS  67  -3.936  -3.420  10.961
  505    HZ1  LYS  67           HZ1      LYS  67  -5.440  -3.316  12.790
  506    HZ2  LYS  67           HZ2      LYS  67  -4.196  -2.939  13.890
  507    HZ3  LYS  67           HZ3      LYS  67  -4.229  -4.444  13.109
  508    H    THR  68           HN       THR  68  -1.010  -1.084   8.983
  509    HA   THR  68           HA       THR  68  -3.118  -0.077   7.296
  510    HB   THR  68           HB       THR  68  -2.635   2.091   8.440
  511    HG1  THR  68           HG1      THR  68  -1.010   2.181   9.975
  512   HG21  THR  68          HG21      THR  68  -2.959  -0.303  10.258
  513   HG22  THR  68          HG22      THR  68  -4.267   0.602   9.479
  514   HG23  THR  68          HG23      THR  68  -3.285   1.363  10.732
  515    H    VAL  69           HN       VAL  69  -2.494   2.159   6.233
  516    HA   VAL  69           HA       VAL  69  -0.311   1.538   4.508
  517    HB   VAL  69           HB       VAL  69  -0.862   3.572   3.256
  518   HG11  VAL  69          HG11      VAL  69  -3.156   3.043   2.597
  519   HG12  VAL  69          HG12      VAL  69  -3.353   2.083   4.055
  520   HG13  VAL  69          HG13      VAL  69  -2.201   1.571   2.816
  521   HG21  VAL  69          HG21      VAL  69  -2.866   4.115   5.429
  522   HG22  VAL  69          HG22      VAL  69  -2.695   5.029   3.934
  523   HG23  VAL  69          HG23      VAL  69  -1.396   5.038   5.129
  524    H    GLY  70           HN       GLY  70  -0.728   3.317   7.382
  525    HA2  GLY  70           HA2      GLY  70   1.672   4.866   7.131
  526    HA3  GLY  70           HA1      GLY  70   0.727   4.622   8.601
  527    H    ASP  71           HN       ASP  71   0.729   1.758   8.375
  528    HA   ASP  71           HA       ASP  71   3.251   1.158   9.574
  529    HB2  ASP  71           HB2      ASP  71   1.042   0.055  10.202
  530    HB3  ASP  71           HB1      ASP  71   1.068  -0.723   8.633
  531    H    ALA  72           HN       ALA  72   1.741   0.852   6.475
  532    HA   ALA  72           HA       ALA  72   3.575  -0.940   5.245
  533    HB1  ALA  72           HB1      ALA  72   1.258  -0.648   4.495
  534    HB2  ALA  72           HB2      ALA  72   2.430  -0.402   3.199
  535    HB3  ALA  72           HB3      ALA  72   1.655   0.986   3.965
  536    H    THR  73           HN       THR  73   3.096   2.572   5.089
  537    HA   THR  73           HA       THR  73   5.042   3.039   3.210
  538    HB   THR  73           HB       THR  73   5.060   5.389   4.212
  539    HG1  THR  73           HG1      THR  73   2.675   4.641   5.415
  540   HG21  THR  73          HG21      THR  73   3.793   4.754   2.223
  541   HG22  THR  73          HG22      THR  73   2.880   5.889   3.219
  542   HG23  THR  73          HG23      THR  73   2.479   4.172   3.246
  543    H    LYS  74           HN       LYS  74   5.351   2.378   6.534
  544    HA   LYS  74           HA       LYS  74   7.841   3.669   6.953
  545    HB2  LYS  74           HB2      LYS  74   6.303   3.053   8.799
  546    HB3  LYS  74           HB1      LYS  74   6.612   1.354   8.476
  547    HG2  LYS  74           HG2      LYS  74   8.950   1.646   9.074
  548    HG3  LYS  74           HG1      LYS  74   8.677   3.367   9.342
  549    HD2  LYS  74           HD2      LYS  74   7.122   2.838  11.150
  550    HD3  LYS  74           HD1      LYS  74   7.377   1.114  10.867
  551    HE2  LYS  74           HE2      LYS  74   9.520   3.083  11.659
  552    HE3  LYS  74           HE1      LYS  74   8.703   1.979  12.761
  553    HZ1  LYS  74           HZ1      LYS  74  10.893   1.189  11.984
  554    HZ2  LYS  74           HZ2      LYS  74  10.316   1.098  10.412
  555    HZ3  LYS  74           HZ3      LYS  74   9.645   0.115  11.613
  556    H    TYR  75           HN       TYR  75   6.892   0.604   5.600
  557    HA   TYR  75           HA       TYR  75   9.600  -0.430   5.641
  558    HB2  TYR  75           HB2      TYR  75   7.747  -2.040   5.808
  559    HB3  TYR  75           HB1      TYR  75   7.104  -1.480   4.265
  560    HD1  TYR  75           HD1      TYR  75  10.179  -2.905   5.754
  561    HD2  TYR  75           HD2      TYR  75   7.726  -2.622   2.308
  562    HE1  TYR  75           HE1      TYR  75  11.622  -4.496   4.610
  563    HE2  TYR  75           HE2      TYR  75   9.183  -4.238   1.152
  564    HH   TYR  75           HH       TYR  75  11.547  -6.062   2.784
  565    H    ILE  76           HN       ILE  76   7.294   0.739   3.324
  566    HA   ILE  76           HA       ILE  76   8.740   0.552   0.949
  567    HB   ILE  76           HB       ILE  76   6.686   2.625   1.763
  568   HG12  ILE  76          HG12      ILE  76   6.324  -0.006   0.317
  569   HG13  ILE  76          HG11      ILE  76   6.008   0.241   2.030
  570   HG21  ILE  76          HG21      ILE  76   6.245   2.838  -0.647
  571   HG22  ILE  76          HG22      ILE  76   7.565   1.722  -0.989
  572   HG23  ILE  76          HG23      ILE  76   7.901   3.294  -0.257
  573   HD11  ILE  76          HD11      ILE  76   3.964   0.286   0.732
  574   HD12  ILE  76          HD12      ILE  76   4.615   1.620  -0.242
  575   HD13  ILE  76          HD13      ILE  76   4.300   1.853   1.479
  576    H    LEU  77           HN       LEU  77   8.363   3.387   3.084
  577    HA   LEU  77           HA       LEU  77  10.156   5.045   1.712
  578    HB2  LEU  77           HB2      LEU  77   8.377   5.874   3.109
  579    HB3  LEU  77           HB1      LEU  77   9.127   5.075   4.474
  580    HG   LEU  77           HG       LEU  77  11.006   6.661   4.374
  581   HD11  LEU  77          HD11      LEU  77  10.853   8.636   2.920
  582   HD12  LEU  77          HD12      LEU  77   9.421   7.938   2.154
  583   HD13  LEU  77          HD13      LEU  77  10.982   7.138   1.994
  584   HD21  LEU  77          HD21      LEU  77   9.069   7.117   5.785
  585   HD22  LEU  77          HD22      LEU  77   8.297   7.985   4.454
  586   HD23  LEU  77          HD23      LEU  77   9.782   8.612   5.174
  587    H    ASP  78           HN       ASP  78  10.600   2.572   4.074
  588    HA   ASP  78           HA       ASP  78  13.124   3.495   5.043
  589    HB2  ASP  78           HB2      ASP  78  11.904   1.949   6.433
  590    HB3  ASP  78           HB1      ASP  78  11.924   0.730   5.160
  591    H    HIS  79           HN       HIS  79  12.195   1.228   2.534
  592    HA   HIS  79           HA       HIS  79  15.009   0.765   1.968
  593    HB2  HIS  79           HB2      HIS  79  12.506  -0.360   0.706
  594    HB3  HIS  79           HB1      HIS  79  14.090  -0.608  -0.016
  595    HD1  HIS  79           HD1      HIS  79  14.996  -2.832   0.568
  596    HD2  HIS  79           HD2      HIS  79  12.742  -1.265   3.695
  597    HE1  HIS  79           HE1      HIS  79  15.014  -4.583   2.355
  598    HE2  HIS  79           HE2      HIS  79  13.570  -3.698   4.183
  599    H    GLN  80           HN       GLN  80  12.295   1.922  -0.053
  600    HA   GLN  80           HA       GLN  80  12.201   3.243  -1.858
  601    HB2  GLN  80           HB2      GLN  80  13.821   4.827   0.068
  602    HB3  GLN  80           HB1      GLN  80  13.459   5.481  -1.526
  603    HG2  GLN  80           HG2      GLN  80  11.432   4.476   0.433
  604    HG3  GLN  80           HG1      GLN  80  11.840   6.179   0.172
  605   HE21  GLN  80          HE21      GLN  80   9.343   4.704  -0.236
  606   HE22  GLN  80          HE22      GLN  80   8.921   4.970  -1.897
  607    H    ALA  81           HN       ALA  81  13.288   4.701  -3.436
  608    HA   ALA  81           HA       ALA  81  16.030   4.342  -4.061
  609    HB1  ALA  81           HB1      ALA  81  15.606   3.512  -6.366
  610    HB2  ALA  81           HB2      ALA  81  13.899   3.322  -5.974
  611    HB3  ALA  81           HB3      ALA  81  15.104   2.326  -5.159
  612    H28  SXO 101          H28B      SXO 101  -6.481 -10.985   4.339
  613   H28A  SXO 101          H28A      SXO 101  -6.468 -11.608   2.689
  614    H30  SXO 101          H30A      SXO 101  -6.774 -14.283   5.945
  615   H30A  SXO 101          H30C      SXO 101  -6.848 -12.518   6.142
  616   H30B  SXO 101          H30B      SXO 101  -8.130 -13.350   5.251
  617    H31  SXO 101          H31A      SXO 101  -6.316 -15.171   3.611
  618   H31A  SXO 101          H31B      SXO 101  -6.163 -13.988   2.301
  619   H31B  SXO 101          H31C      SXO 101  -7.729 -14.245   3.076
  620    H32  SXO 101          H32A      SXO 101  -4.548 -12.173   5.035
  621   HO33  SXO 101          H33A      SXO 101  -3.588 -14.503   5.085
  622   HN36  SXO 101          H36A      SXO 101  -4.855 -11.797   2.473
  623    H37  SXO 101          H37A      SXO 101  -2.215 -12.182   1.493
  624   H37A  SXO 101          H37B      SXO 101  -3.368 -13.205   0.650
  625    H38  SXO 101          H38B      SXO 101  -4.664 -11.247   0.030
  626   H38A  SXO 101          H38A      SXO 101  -3.016 -11.164  -0.594
  627   HN41  SXO 101          H41A      SXO 101  -4.181 -10.382   2.603
  628    H42  SXO 101          H42A      SXO 101  -2.789  -8.156   3.276
  629   H42A  SXO 101          H42B      SXO 101  -4.198  -7.517   2.413
  630    H43  SXO 101          H43B      SXO 101  -5.717  -8.568   3.933
  631   H43A  SXO 101          H43A      SXO 101  -4.344  -9.291   4.802
  632    H2   SXO 101           H2A      SXO 101  -1.130  -6.373   6.357
  633    H2A  SXO 101           H2B      SXO 101  -2.515  -5.291   6.020
  634    H3   SXO 101           H3B      SXO 101  -0.839  -6.714   3.968
  635    H3A  SXO 101           H3A      SXO 101  -2.144  -5.570   3.652
  636    H4   SXO 101           H4A      SXO 101   0.400  -4.931   5.149
  637    H4A  SXO 101           H4B      SXO 101  -0.877  -3.790   4.716
  638    H5   SXO 101           H5B      SXO 101   0.777  -5.369   2.746
  639    H5A  SXO 101           H5A      SXO 101  -0.440  -4.154   2.357
  640    H6   SXO 101           H6A      SXO 101   2.101  -3.662   3.901
  641    H6A  SXO 101           H6B      SXO 101   0.891  -2.453   3.465
  642    H7   SXO 101           H7A      SXO 101   2.470  -4.072   1.453
  643    H7A  SXO 101           H7B      SXO 101   2.872  -2.421   1.959
  644    H8   SXO 101           H8C      SXO 101   0.688  -1.657   1.144
  645    H8A  SXO 101           H8A      SXO 101   0.294  -3.302   0.644
  646    H8B  SXO 101           H8B      SXO 101   1.609  -2.432  -0.145
  Start of MODEL   17
    1    H1   ALA   1           HT1      ALA   1  12.613  11.589  -3.019
    2    H2   ALA   1           HT2      ALA   1  13.692  10.277  -3.066
    3    H3   ALA   1           HT3      ALA   1  12.427  10.320  -1.940
    4    HA   ALA   1           HA       ALA   1  12.107  10.257  -4.874
    5    HB1  ALA   1           HB1      ALA   1  11.345   7.963  -4.622
    6    HB2  ALA   1           HB2      ALA   1  11.648   8.039  -2.885
    7    HB3  ALA   1           HB3      ALA   1  12.994   8.133  -4.022
    8    H    ALA   2           HN       ALA   2  10.322   9.434  -1.857
    9    HA   ALA   2           HA       ALA   2   8.247  11.290  -2.533
   10    HB1  ALA   2           HB1      ALA   2   7.660   8.346  -2.559
   11    HB2  ALA   2           HB2      ALA   2   7.587   9.430  -3.966
   12    HB3  ALA   2           HB3      ALA   2   6.475   9.648  -2.601
   13    H    THR   3           HN       THR   3   7.202  11.872  -0.758
   14    HA   THR   3           HA       THR   3   8.096  10.659   1.683
   15    HB   THR   3           HB       THR   3   7.926  13.126   1.700
   16    HG1  THR   3           HG1      THR   3   7.745  12.392   3.572
   17   HG21  THR   3          HG21      THR   3   4.956  12.792   1.397
   18   HG22  THR   3          HG22      THR   3   6.043  13.351   0.129
   19   HG23  THR   3          HG23      THR   3   5.837  14.307   1.595
   20    H    GLN   4           HN       GLN   4   6.506  10.466   3.463
   21    HA   GLN   4           HA       GLN   4   5.058   8.145   2.966
   22    HB2  GLN   4           HB2      GLN   4   5.862   8.568   5.164
   23    HB3  GLN   4           HB1      GLN   4   5.060  10.126   5.242
   24    HG2  GLN   4           HG2      GLN   4   2.916   9.053   5.418
   25    HG3  GLN   4           HG1      GLN   4   3.653   7.474   5.158
   26   HE21  GLN   4          HE21      GLN   4   4.553   6.412   6.848
   27   HE22  GLN   4          HE22      GLN   4   4.547   7.014   8.463
   28    H    GLU   5           HN       GLU   5   4.254  11.484   2.718
   29    HA   GLU   5           HA       GLU   5   1.389  11.095   2.711
   30    HB2  GLU   5           HB2      GLU   5   2.474  13.291   3.224
   31    HB3  GLU   5           HB1      GLU   5   2.977  13.393   1.544
   32    HG2  GLU   5           HG2      GLU   5   0.592  13.335   0.885
   33    HG3  GLU   5           HG1      GLU   5   0.167  13.386   2.596
   34    H    GLU   6           HN       GLU   6   3.837  11.614   0.239
   35    HA   GLU   6           HA       GLU   6   2.207  11.368  -2.037
   36    HB2  GLU   6           HB2      GLU   6   5.153  10.828  -1.692
   37    HB3  GLU   6           HB1      GLU   6   4.322  11.055  -3.225
   38    HG2  GLU   6           HG2      GLU   6   3.835  13.349  -2.634
   39    HG3  GLU   6           HG1      GLU   6   4.588  13.119  -1.055
   40    H    ILE   7           HN       ILE   7   4.037   9.119  -0.066
   41    HA   ILE   7           HA       ILE   7   4.006   7.011  -1.695
   42    HB   ILE   7           HB       ILE   7   3.966   6.974   1.333
   43   HG12  ILE   7          HG12      ILE   7   5.968   7.927   0.286
   44   HG13  ILE   7          HG11      ILE   7   6.349   6.396   1.062
   45   HG21  ILE   7          HG21      ILE   7   4.666   4.619   1.227
   46   HG22  ILE   7          HG22      ILE   7   4.417   4.631  -0.519
   47   HG23  ILE   7          HG23      ILE   7   3.046   4.849   0.569
   48   HD11  ILE   7          HD11      ILE   7   5.922   6.825  -1.892
   49   HD12  ILE   7          HD12      ILE   7   6.317   5.291  -1.121
   50   HD13  ILE   7          HD13      ILE   7   7.474   6.614  -1.088
   51    H    VAL   8           HN       VAL   8   1.757   7.773   1.026
   52    HA   VAL   8           HA       VAL   8  -0.138   5.742   0.727
   53    HB   VAL   8           HB       VAL   8  -0.554   8.579   1.756
   54   HG11  VAL   8          HG11      VAL   8  -2.496   7.664   2.927
   55   HG12  VAL   8          HG12      VAL   8  -2.228   6.105   2.150
   56   HG13  VAL   8          HG13      VAL   8  -2.677   7.509   1.178
   57   HG21  VAL   8          HG21      VAL   8   1.127   7.340   2.991
   58   HG22  VAL   8          HG22      VAL   8  -0.009   6.005   3.202
   59   HG23  VAL   8          HG23      VAL   8  -0.332   7.569   3.958
   60    H    ALA   9           HN       ALA   9  -0.123   9.023  -0.621
   61    HA   ALA   9           HA       ALA   9  -2.512   8.945  -2.026
   62    HB1  ALA   9           HB1      ALA   9   0.028  10.365  -2.810
   63    HB2  ALA   9           HB2      ALA   9  -1.196  10.979  -1.696
   64    HB3  ALA   9           HB3      ALA   9  -1.592  10.740  -3.400
   65    H    GLY  10           HN       GLY  10   0.676   7.744  -2.961
   66    HA2  GLY  10           HA2      GLY  10   0.005   7.128  -5.663
   67    HA3  GLY  10           HA1      GLY  10   1.393   6.505  -4.772
   68    H    LEU  11           HN       LEU  11   0.022   5.340  -2.656
   69    HA   LEU  11           HA       LEU  11  -0.564   2.764  -3.591
   70    HB2  LEU  11           HB2      LEU  11  -1.402   4.114  -1.025
   71    HB3  LEU  11           HB1      LEU  11  -1.579   2.402  -1.333
   72    HG   LEU  11           HG       LEU  11   1.064   3.858  -1.245
   73   HD11  LEU  11          HD11      LEU  11   1.349   2.783   0.943
   74   HD12  LEU  11          HD12      LEU  11  -0.288   2.138   0.840
   75   HD13  LEU  11          HD13      LEU  11  -0.032   3.880   0.945
   76   HD21  LEU  11          HD21      LEU  11   2.002   1.599  -1.119
   77   HD22  LEU  11          HD22      LEU  11   1.077   1.823  -2.602
   78   HD23  LEU  11          HD23      LEU  11   0.383   0.915  -1.262
   79    H    ALA  12           HN       ALA  12  -2.658   5.404  -2.631
   80    HA   ALA  12           HA       ALA  12  -5.103   4.082  -2.947
   81    HB1  ALA  12           HB1      ALA  12  -4.575   7.028  -3.138
   82    HB2  ALA  12           HB2      ALA  12  -4.837   6.104  -1.644
   83    HB3  ALA  12           HB3      ALA  12  -6.125   6.233  -2.847
   84    H    GLU  13           HN       GLU  13  -3.002   5.516  -5.313
   85    HA   GLU  13           HA       GLU  13  -4.936   5.975  -7.330
   86    HB2  GLU  13           HB2      GLU  13  -2.021   5.254  -7.674
   87    HB3  GLU  13           HB1      GLU  13  -3.066   5.947  -8.904
   88    HG2  GLU  13           HG2      GLU  13  -3.316   7.957  -7.502
   89    HG3  GLU  13           HG1      GLU  13  -2.182   7.257  -6.350
   90    H    ILE  14           HN       ILE  14  -2.878   3.197  -6.614
   91    HA   ILE  14           HA       ILE  14  -4.236   1.766  -8.674
   92    HB   ILE  14           HB       ILE  14  -2.271   0.603  -6.648
   93   HG12  ILE  14          HG12      ILE  14  -0.741   0.485  -8.736
   94   HG13  ILE  14          HG11      ILE  14  -1.840   1.649  -9.453
   95   HG21  ILE  14          HG21      ILE  14  -3.359  -0.554  -9.204
   96   HG22  ILE  14          HG22      ILE  14  -3.736  -1.070  -7.555
   97   HG23  ILE  14          HG23      ILE  14  -2.104  -1.295  -8.196
   98   HD11  ILE  14          HD11      ILE  14   0.123   2.735  -8.558
   99   HD12  ILE  14          HD12      ILE  14  -0.184   2.044  -6.971
  100   HD13  ILE  14          HD13      ILE  14  -1.307   3.228  -7.648
  101    H    VAL  15           HN       VAL  15  -4.524   2.079  -5.195
  102    HA   VAL  15           HA       VAL  15  -6.316  -0.084  -4.947
  103    HB   VAL  15           HB       VAL  15  -6.161   2.358  -3.116
  104   HG11  VAL  15          HG11      VAL  15  -7.325   0.984  -1.449
  105   HG12  VAL  15          HG12      VAL  15  -7.487  -0.316  -2.624
  106   HG13  VAL  15          HG13      VAL  15  -8.326   1.217  -2.882
  107   HG21  VAL  15          HG21      VAL  15  -5.012  -0.410  -2.820
  108   HG22  VAL  15          HG22      VAL  15  -4.980   0.850  -1.596
  109   HG23  VAL  15          HG23      VAL  15  -4.092   1.074  -3.116
  110    H    ASN  16           HN       ASN  16  -6.748   3.077  -6.207
  111    HA   ASN  16           HA       ASN  16  -9.581   3.205  -6.134
  112    HB2  ASN  16           HB2      ASN  16  -8.134   5.181  -6.624
  113    HB3  ASN  16           HB1      ASN  16  -7.705   4.454  -8.167
  114   HD21  ASN  16          HD21      ASN  16 -10.144   6.099  -6.368
  115   HD22  ASN  16          HD22      ASN  16 -11.237   6.384  -7.655
  116    H    GLU  17           HN       GLU  17  -7.282   1.873  -8.449
  117    HA   GLU  17           HA       GLU  17  -9.417   1.114 -10.228
  118    HB2  GLU  17           HB2      GLU  17  -7.678   0.076 -11.642
  119    HB3  GLU  17           HB1      GLU  17  -7.288   1.738 -11.239
  120    HG2  GLU  17           HG2      GLU  17  -5.751   0.903  -9.493
  121    HG3  GLU  17           HG1      GLU  17  -6.109  -0.739 -10.010
  122    H    ILE  18           HN       ILE  18  -7.598  -0.399  -7.706
  123    HA   ILE  18           HA       ILE  18  -8.425  -3.090  -8.284
  124    HB   ILE  18           HB       ILE  18  -7.396  -1.852  -5.714
  125   HG12  ILE  18          HG12      ILE  18  -5.793  -1.732  -7.490
  126   HG13  ILE  18          HG11      ILE  18  -5.259  -2.908  -6.293
  127   HG21  ILE  18          HG21      ILE  18  -6.901  -4.132  -4.964
  128   HG22  ILE  18          HG22      ILE  18  -7.716  -4.768  -6.395
  129   HG23  ILE  18          HG23      ILE  18  -8.630  -3.862  -5.189
  130   HD11  ILE  18          HD11      ILE  18  -4.818  -3.706  -8.550
  131   HD12  ILE  18          HD12      ILE  18  -6.527  -3.532  -8.958
  132   HD13  ILE  18          HD13      ILE  18  -6.022  -4.722  -7.759
  133    H    ALA  19           HN       ALA  19  -9.414  -0.692  -5.856
  134    HA   ALA  19           HA       ALA  19 -11.789  -2.331  -5.361
  135    HB1  ALA  19           HB1      ALA  19 -11.848  -1.347  -3.137
  136    HB2  ALA  19           HB2      ALA  19 -10.436  -0.367  -3.524
  137    HB3  ALA  19           HB3      ALA  19 -10.292  -2.123  -3.441
  138    H    GLY  20           HN       GLY  20 -10.714   1.028  -5.314
  139    HA2  GLY  20           HA2      GLY  20 -11.963   2.648  -6.667
  140    HA3  GLY  20           HA1      GLY  20 -13.417   1.740  -6.276
  141    H    ILE  21           HN       ILE  21 -10.904   3.764  -4.949
  142    HA   ILE  21           HA       ILE  21 -12.816   4.897  -3.102
  143    HB   ILE  21           HB       ILE  21 -10.807   5.046  -1.427
  144   HG12  ILE  21          HG12      ILE  21  -9.461   2.879  -1.370
  145   HG13  ILE  21          HG11      ILE  21 -10.037   2.585  -3.001
  146   HG21  ILE  21          HG21      ILE  21 -12.850   4.035  -0.825
  147   HG22  ILE  21          HG22      ILE  21 -11.522   3.026  -0.251
  148   HG23  ILE  21          HG23      ILE  21 -12.440   2.548  -1.684
  149   HD11  ILE  21          HD11      ILE  21  -8.326   4.906  -2.129
  150   HD12  ILE  21          HD12      ILE  21  -8.884   4.584  -3.775
  151   HD13  ILE  21          HD13      ILE  21  -7.778   3.465  -2.989
  152    HA   PRO  22           HA       PRO  22 -10.977   8.641  -4.573
  153    HB2  PRO  22           HB2      PRO  22 -11.275   9.752  -1.850
  154    HB3  PRO  22           HB1      PRO  22 -11.997  10.311  -3.361
  155    HG2  PRO  22           HG2      PRO  22 -13.457   9.108  -1.470
  156    HG3  PRO  22           HG1      PRO  22 -13.784   8.865  -3.195
  157    HD2  PRO  22           HD2      PRO  22 -12.381   7.064  -1.262
  158    HD3  PRO  22           HD1      PRO  22 -13.520   6.655  -2.563
  159    H    VAL  23           HN       VAL  23  -8.948   9.439  -4.602
  160    HA   VAL  23           HA       VAL  23  -6.995   8.049  -3.070
  161    HB   VAL  23           HB       VAL  23  -5.294   9.376  -4.281
  162   HG11  VAL  23          HG11      VAL  23  -7.497   8.233  -5.994
  163   HG12  VAL  23          HG12      VAL  23  -6.196   7.323  -5.234
  164   HG13  VAL  23          HG13      VAL  23  -5.826   8.487  -6.507
  165   HG21  VAL  23          HG21      VAL  23  -6.021  10.917  -6.056
  166   HG22  VAL  23          HG22      VAL  23  -6.504  11.487  -4.461
  167   HG23  VAL  23          HG23      VAL  23  -7.694  10.733  -5.523
  168    H    GLU  24           HN       GLU  24  -8.824  10.327  -1.993
  169    HA   GLU  24           HA       GLU  24  -6.767  11.519  -0.271
  170    HB2  GLU  24           HB2      GLU  24  -8.440  13.271   0.225
  171    HB3  GLU  24           HB1      GLU  24  -8.033  13.200  -1.484
  172    HG2  GLU  24           HG2      GLU  24 -10.099  12.055  -1.972
  173    HG3  GLU  24           HG1      GLU  24 -10.483  11.955  -0.256
  174    H    ASP  25           HN       ASP  25  -9.158   9.173  -0.424
  175    HA   ASP  25           HA       ASP  25 -10.288   9.450   2.217
  176    HB2  ASP  25           HB2      ASP  25 -11.584   8.373   0.406
  177    HB3  ASP  25           HB1      ASP  25 -10.355   7.122   0.282
  178    H    VAL  26           HN       VAL  26  -7.757   7.748   0.668
  179    HA   VAL  26           HA       VAL  26  -7.138   6.023   2.884
  180    HB   VAL  26           HB       VAL  26  -5.453   6.649   0.442
  181   HG11  VAL  26          HG11      VAL  26  -5.480   4.271   2.297
  182   HG12  VAL  26          HG12      VAL  26  -4.245   5.524   2.231
  183   HG13  VAL  26          HG13      VAL  26  -4.476   4.439   0.859
  184   HG21  VAL  26          HG21      VAL  26  -7.653   5.902  -0.275
  185   HG22  VAL  26          HG22      VAL  26  -7.534   4.496   0.785
  186   HG23  VAL  26          HG23      VAL  26  -6.442   4.661  -0.591
  187    H    LYS  27           HN       LYS  27  -6.803   7.406   4.522
  188    HA   LYS  27           HA       LYS  27  -4.517   9.204   4.350
  189    HB2  LYS  27           HB2      LYS  27  -6.667   8.876   6.457
  190    HB3  LYS  27           HB1      LYS  27  -5.309   9.986   6.601
  191    HG2  LYS  27           HG2      LYS  27  -6.060  11.210   4.648
  192    HG3  LYS  27           HG1      LYS  27  -7.381  10.067   4.416
  193    HD2  LYS  27           HD2      LYS  27  -8.365  10.724   6.519
  194    HD3  LYS  27           HD1      LYS  27  -7.000  11.788   6.858
  195    HE2  LYS  27           HE2      LYS  27  -8.930  13.046   6.048
  196    HE3  LYS  27           HE1      LYS  27  -7.575  13.162   4.931
  197    HZ1  LYS  27           HZ1      LYS  27  -8.644  11.555   3.492
  198    HZ2  LYS  27           HZ2      LYS  27  -9.709  12.800   3.806
  199    HZ3  LYS  27           HZ3      LYS  27  -9.898  11.326   4.592
  200    H    LEU  28           HN       LEU  28  -3.471   9.092   6.874
  201    HA   LEU  28           HA       LEU  28  -1.820   6.846   6.515
  202    HB2  LEU  28           HB2      LEU  28  -1.949   8.923   8.648
  203    HB3  LEU  28           HB1      LEU  28  -0.927   7.519   8.865
  204    HG   LEU  28           HG       LEU  28   0.413   9.304   8.054
  205   HD11  LEU  28          HD11      LEU  28   0.964   7.129   7.237
  206   HD12  LEU  28          HD12      LEU  28   1.305   8.341   6.001
  207   HD13  LEU  28          HD13      LEU  28  -0.131   7.329   5.870
  208   HD21  LEU  28          HD21      LEU  28   0.021  10.421   5.899
  209   HD22  LEU  28          HD22      LEU  28  -1.307  10.709   7.024
  210   HD23  LEU  28          HD23      LEU  28  -1.493   9.535   5.720
  211    H    ASP  29           HN       ASP  29  -4.435   7.244   8.894
  212    HA   ASP  29           HA       ASP  29  -3.642   4.576   9.721
  213    HB2  ASP  29           HB2      ASP  29  -3.886   6.312  11.518
  214    HB3  ASP  29           HB1      ASP  29  -5.614   6.340  11.183
  215    H    LYS  30           HN       LYS  30  -4.419   4.138   7.597
  216    HA   LYS  30           HA       LYS  30  -7.152   3.060   7.720
  217    HB2  LYS  30           HB2      LYS  30  -5.733   4.248   5.307
  218    HB3  LYS  30           HB1      LYS  30  -7.257   3.383   5.238
  219    HG2  LYS  30           HG2      LYS  30  -6.949   5.839   6.916
  220    HG3  LYS  30           HG1      LYS  30  -7.248   5.977   5.187
  221    HD2  LYS  30           HD2      LYS  30  -9.026   4.496   7.149
  222    HD3  LYS  30           HD1      LYS  30  -9.325   6.134   6.562
  223    HE2  LYS  30           HE2      LYS  30  -9.391   5.228   4.241
  224    HE3  LYS  30           HE1      LYS  30  -9.217   3.608   4.907
  225    HZ1  LYS  30           HZ1      LYS  30 -11.374   4.031   6.123
  226    HZ2  LYS  30           HZ2      LYS  30 -11.501   4.009   4.442
  227    HZ3  LYS  30           HZ3      LYS  30 -11.515   5.466   5.248
  228    H    SER  31           HN       SER  31  -6.999   0.872   7.632
  229    HA   SER  31           HA       SER  31  -4.597  -0.365   6.568
  230    HB2  SER  31           HB2      SER  31  -5.581  -2.401   7.605
  231    HB3  SER  31           HB1      SER  31  -5.288  -1.082   8.749
  232    HG   SER  31           HG       SER  31  -7.435  -0.678   8.863
  233    H    PHE  32           HN       PHE  32  -4.856  -2.221   5.144
  234    HA   PHE  32           HA       PHE  32  -6.437  -1.487   2.852
  235    HB2  PHE  32           HB2      PHE  32  -4.573  -3.792   3.389
  236    HB3  PHE  32           HB1      PHE  32  -5.260  -3.380   1.823
  237    HD1  PHE  32           HD2      PHE  32  -4.469  -1.430   0.596
  238    HD2  PHE  32           HD1      PHE  32  -2.793  -2.478   4.366
  239    HE1  PHE  32           HE2      PHE  32  -2.554   0.051   0.156
  240    HE2  PHE  32           HE1      PHE  32  -0.880  -0.999   3.929
  241    HZ   PHE  32           HZ       PHE  32  -0.760   0.268   1.821
  242    H    THR  33           HN       THR  33  -7.976  -2.412   5.201
  243    HA   THR  33           HA       THR  33  -9.712  -4.065   3.792
  244    HB   THR  33           HB       THR  33  -8.194  -5.845   4.235
  245    HG1  THR  33           HG1      THR  33  -9.473  -7.302   5.191
  246   HG21  THR  33          HG21      THR  33  -7.441  -6.549   6.459
  247   HG22  THR  33          HG22      THR  33  -8.279  -5.179   7.187
  248   HG23  THR  33          HG23      THR  33  -6.918  -4.908   6.090
  249    H    ASP  34           HN       ASP  34  -8.839  -3.331   7.223
  250    HA   ASP  34           HA       ASP  34 -11.581  -3.452   8.002
  251    HB2  ASP  34           HB2      ASP  34  -9.758  -4.043   9.556
  252    HB3  ASP  34           HB1      ASP  34  -9.215  -2.369   9.543
  253    H    ASP  35           HN       ASP  35  -9.299  -0.887   7.416
  254    HA   ASP  35           HA       ASP  35 -11.368   1.127   7.914
  255    HB2  ASP  35           HB2      ASP  35  -8.558   1.538   6.918
  256    HB3  ASP  35           HB1      ASP  35  -9.660   2.798   7.387
  257    H    LEU  36           HN       LEU  36  -9.347  -0.004   5.243
  258    HA   LEU  36           HA       LEU  36 -10.536   1.783   3.403
  259    HB2  LEU  36           HB2      LEU  36  -8.653  -0.526   3.130
  260    HB3  LEU  36           HB1      LEU  36  -9.326   0.261   1.722
  261    HG   LEU  36           HG       LEU  36  -7.629   1.594   3.827
  262   HD11  LEU  36          HD11      LEU  36  -7.060   0.861   0.954
  263   HD12  LEU  36          HD12      LEU  36  -6.321   0.119   2.378
  264   HD13  LEU  36          HD13      LEU  36  -6.006   1.806   1.997
  265   HD21  LEU  36          HD21      LEU  36  -9.316   3.028   2.935
  266   HD22  LEU  36          HD22      LEU  36  -8.850   2.578   1.295
  267   HD23  LEU  36          HD23      LEU  36  -7.722   3.503   2.315
  268    H    ASP  37           HN       ASP  37 -11.660   1.179   1.532
  269    HA   ASP  37           HA       ASP  37 -13.670  -0.850   2.107
  270    HB2  ASP  37           HB2      ASP  37 -14.518   1.402   1.418
  271    HB3  ASP  37           HB1      ASP  37 -13.653   1.241  -0.106
  272    H    VAL  38           HN       VAL  38 -11.904  -2.182   1.863
  273    HA   VAL  38           HA       VAL  38 -11.651  -3.234  -0.867
  274    HB   VAL  38           HB       VAL  38  -9.386  -3.120   1.163
  275   HG11  VAL  38          HG11      VAL  38  -9.252  -5.047  -0.283
  276   HG12  VAL  38          HG12      VAL  38  -7.965  -3.907  -0.676
  277   HG13  VAL  38          HG13      VAL  38  -9.389  -4.021  -1.712
  278   HG21  VAL  38          HG21      VAL  38  -9.773  -0.871   0.299
  279   HG22  VAL  38          HG22      VAL  38  -9.694  -1.477  -1.354
  280   HG23  VAL  38          HG23      VAL  38  -8.260  -1.522  -0.332
  281    H    ASP  39           HN       ASP  39 -12.261  -5.289  -0.824
  282    HA   ASP  39           HA       ASP  39 -13.009  -7.002   1.179
  283    HB2  ASP  39           HB2      ASP  39 -13.163  -7.729  -1.097
  284    HB3  ASP  39           HB1      ASP  39 -11.439  -7.532  -1.353
  285    H    SER  40           HN       SER  40  -9.889  -7.443  -0.176
  286    HA   SER  40           HA       SER  40  -8.063  -6.406   1.359
  287    HB2  SER  40           HB2      SER  40  -7.333  -7.939   3.077
  288    HB3  SER  40           HB1      SER  40  -8.980  -7.394   3.391
  289    H    LEU  41           HN       LEU  41  -8.976  -9.645   0.339
  290    HA   LEU  41           HA       LEU  41  -6.341 -10.439  -0.182
  291    HB2  LEU  41           HB2      LEU  41  -8.922 -11.529  -1.328
  292    HB3  LEU  41           HB1      LEU  41  -7.364 -12.218  -1.710
  293    HG   LEU  41           HG       LEU  41  -7.102 -12.629   0.803
  294   HD11  LEU  41          HD11      LEU  41 -10.057 -12.100   0.769
  295   HD12  LEU  41          HD12      LEU  41  -8.827 -11.200   1.664
  296   HD13  LEU  41          HD13      LEU  41  -9.168 -12.880   2.075
  297   HD21  LEU  41          HD21      LEU  41  -7.515 -14.409  -0.789
  298   HD22  LEU  41          HD22      LEU  41  -9.249 -14.098  -0.711
  299   HD23  LEU  41          HD23      LEU  41  -8.399 -14.700   0.710
  300    H    SER  42           HN       SER  42  -8.534  -8.531  -1.863
  301    HA   SER  42           HA       SER  42  -7.522  -8.570  -4.482
  302    HB2  SER  42           HB2      SER  42  -8.882  -6.327  -3.010
  303    HB3  SER  42           HB1      SER  42  -8.887  -6.608  -4.762
  304    HG   SER  42           HG       SER  42 -10.743  -7.579  -4.204
  305    H    MET  43           HN       MET  43  -6.266  -7.148  -1.528
  306    HA   MET  43           HA       MET  43  -4.933  -4.921  -2.603
  307    HB2  MET  43           HB2      MET  43  -5.515  -5.329  -0.187
  308    HB3  MET  43           HB1      MET  43  -4.233  -6.516  -0.128
  309    HG2  MET  43           HG2      MET  43  -3.811  -3.601  -0.744
  310    HG3  MET  43           HG1      MET  43  -3.729  -4.272   0.873
  311    HE1  MET  43           HE1      MET  43  -0.587  -6.668   0.444
  312    HE2  MET  43           HE2      MET  43  -2.229  -7.132   0.012
  313    HE3  MET  43           HE3      MET  43  -1.930  -6.216   1.491
  314    H    VAL  44           HN       VAL  44  -4.233  -8.263  -2.552
  315    HA   VAL  44           HA       VAL  44  -1.448  -8.255  -2.814
  316    HB   VAL  44           HB       VAL  44  -3.371 -10.211  -4.124
  317   HG11  VAL  44          HG11      VAL  44  -0.470 -10.548  -3.363
  318   HG12  VAL  44          HG12      VAL  44  -1.105 -10.403  -5.004
  319   HG13  VAL  44          HG13      VAL  44  -1.521 -11.805  -4.020
  320   HG21  VAL  44          HG21      VAL  44  -3.053 -11.577  -2.091
  321   HG22  VAL  44          HG22      VAL  44  -3.812 -10.026  -1.750
  322   HG23  VAL  44          HG23      VAL  44  -2.109 -10.264  -1.377
  323    H    GLU  45           HN       GLU  45  -3.938  -7.643  -5.220
  324    HA   GLU  45           HA       GLU  45  -2.125  -7.547  -7.401
  325    HB2  GLU  45           HB2      GLU  45  -4.936  -6.483  -7.145
  326    HB3  GLU  45           HB1      GLU  45  -4.010  -6.475  -8.641
  327    HG2  GLU  45           HG2      GLU  45  -3.858  -8.918  -8.543
  328    HG3  GLU  45           HG1      GLU  45  -4.823  -8.907  -7.072
  329    H    VAL  46           HN       VAL  46  -3.120  -5.154  -5.014
  330    HA   VAL  46           HA       VAL  46  -1.985  -3.061  -6.631
  331    HB   VAL  46           HB       VAL  46  -3.933  -2.428  -5.264
  332   HG11  VAL  46          HG11      VAL  46  -2.221  -2.833  -2.848
  333   HG12  VAL  46          HG12      VAL  46  -3.523  -3.887  -3.376
  334   HG13  VAL  46          HG13      VAL  46  -3.882  -2.222  -2.887
  335   HG21  VAL  46          HG21      VAL  46  -3.071  -0.379  -4.226
  336   HG22  VAL  46          HG22      VAL  46  -2.376  -0.666  -5.820
  337   HG23  VAL  46          HG23      VAL  46  -1.432  -1.015  -4.372
  338    H    VAL  47           HN       VAL  47  -1.005  -4.968  -3.848
  339    HA   VAL  47           HA       VAL  47   1.263  -3.409  -3.283
  340    HB   VAL  47           HB       VAL  47   0.428  -5.055  -1.644
  341   HG11  VAL  47          HG11      VAL  47   1.558  -7.181  -3.443
  342   HG12  VAL  47          HG12      VAL  47  -0.144  -6.903  -3.084
  343   HG13  VAL  47          HG13      VAL  47   0.952  -7.427  -1.805
  344   HG21  VAL  47          HG21      VAL  47   3.304  -5.522  -2.414
  345   HG22  VAL  47          HG22      VAL  47   2.585  -5.915  -0.849
  346   HG23  VAL  47          HG23      VAL  47   2.685  -4.237  -1.376
  347    H    VAL  48           HN       VAL  48   0.910  -6.131  -5.517
  348    HA   VAL  48           HA       VAL  48   3.679  -6.181  -6.168
  349    HB   VAL  48           HB       VAL  48   2.165  -8.139  -6.505
  350   HG11  VAL  48          HG11      VAL  48   0.203  -7.069  -7.358
  351   HG12  VAL  48          HG12      VAL  48   0.753  -8.292  -8.503
  352   HG13  VAL  48          HG13      VAL  48   1.054  -6.586  -8.824
  353   HG21  VAL  48          HG21      VAL  48   3.611  -7.248  -8.999
  354   HG22  VAL  48          HG22      VAL  48   3.099  -8.899  -8.652
  355   HG23  VAL  48          HG23      VAL  48   4.311  -8.119  -7.635
  356    H    ALA  49           HN       ALA  49   1.081  -4.228  -7.143
  357    HA   ALA  49           HA       ALA  49   2.369  -3.267  -9.552
  358    HB1  ALA  49           HB1      ALA  49   0.443  -1.767  -9.737
  359    HB2  ALA  49           HB2      ALA  49  -0.114  -2.282  -8.143
  360    HB3  ALA  49           HB3      ALA  49  -0.074  -3.433  -9.477
  361    H    ALA  50           HN       ALA  50   2.008  -2.398  -6.215
  362    HA   ALA  50           HA       ALA  50   2.831   0.282  -6.459
  363    HB1  ALA  50           HB1      ALA  50   3.062   0.244  -4.032
  364    HB2  ALA  50           HB2      ALA  50   2.959  -1.517  -4.038
  365    HB3  ALA  50           HB3      ALA  50   1.565  -0.550  -4.525
  366    H    GLU  51           HN       GLU  51   4.541  -2.708  -6.318
  367    HA   GLU  51           HA       GLU  51   7.016  -1.855  -5.390
  368    HB2  GLU  51           HB2      GLU  51   6.533  -3.943  -7.515
  369    HB3  GLU  51           HB1      GLU  51   7.984  -3.782  -6.530
  370    HG2  GLU  51           HG2      GLU  51   6.560  -4.182  -4.524
  371    HG3  GLU  51           HG1      GLU  51   5.226  -4.532  -5.615
  372    H    GLU  52           HN       GLU  52   5.779  -1.871  -8.714
  373    HA   GLU  52           HA       GLU  52   8.149  -0.646  -9.761
  374    HB2  GLU  52           HB2      GLU  52   6.897  -0.384 -11.851
  375    HB3  GLU  52           HB1      GLU  52   6.686  -2.009 -11.216
  376    HG2  GLU  52           HG2      GLU  52   4.507  -1.512 -10.447
  377    HG3  GLU  52           HG1      GLU  52   4.690   0.202 -10.772
  378    H    ARG  53           HN       ARG  53   5.080   0.477  -8.549
  379    HA   ARG  53           HA       ARG  53   5.242   3.059  -9.677
  380    HB2  ARG  53           HB2      ARG  53   3.482   2.068  -7.441
  381    HB3  ARG  53           HB1      ARG  53   3.330   3.642  -8.205
  382    HG2  ARG  53           HG2      ARG  53   2.991   0.971  -9.551
  383    HG3  ARG  53           HG1      ARG  53   1.701   2.081  -9.090
  384    HD2  ARG  53           HD2      ARG  53   3.896   2.672 -11.078
  385    HD3  ARG  53           HD1      ARG  53   2.251   2.197 -11.492
  386    HE   ARG  53           HE       ARG  53   2.024   4.426  -9.871
  387   HH11  ARG  53          HH11      ARG  53   3.653   3.759 -12.958
  388   HH12  ARG  53          HH12      ARG  53   3.285   5.277 -13.631
  389   HH21  ARG  53          HH21      ARG  53   1.589   6.484 -10.743
  390   HH22  ARG  53          HH22      ARG  53   2.099   6.922 -12.303
  391    H    PHE  54           HN       PHE  54   6.469   1.725  -6.727
  392    HA   PHE  54           HA       PHE  54   7.144   4.451  -5.903
  393    HB2  PHE  54           HB2      PHE  54   6.770   2.008  -4.190
  394    HB3  PHE  54           HB1      PHE  54   7.375   3.553  -3.593
  395    HD1  PHE  54           HD2      PHE  54   5.915   5.599  -4.029
  396    HD2  PHE  54           HD1      PHE  54   4.527   1.601  -4.278
  397    HE1  PHE  54           HE2      PHE  54   3.624   6.380  -3.707
  398    HE2  PHE  54           HE1      PHE  54   2.227   2.376  -3.961
  399    HZ   PHE  54           HZ       PHE  54   1.771   4.788  -3.796
  400    H    ASP  55           HN       ASP  55   8.546   2.146  -7.551
  401    HA   ASP  55           HA       ASP  55  10.687   1.481  -7.987
  402    HB2  ASP  55           HB2      ASP  55  11.234   3.974  -6.365
  403    HB3  ASP  55           HB1      ASP  55  12.543   3.019  -7.047
  404    H    VAL  56           HN       VAL  56   9.433   0.068  -6.029
  405    HA   VAL  56           HA       VAL  56  11.602  -0.506  -4.149
  406    HB   VAL  56           HB       VAL  56   9.916  -1.146  -2.416
  407   HG11  VAL  56          HG11      VAL  56   9.750   1.714  -3.309
  408   HG12  VAL  56          HG12      VAL  56  10.979   1.009  -2.260
  409   HG13  VAL  56          HG13      VAL  56   9.303   1.107  -1.715
  410   HG21  VAL  56          HG21      VAL  56   7.936   0.167  -4.279
  411   HG22  VAL  56          HG22      VAL  56   7.607  -0.318  -2.616
  412   HG23  VAL  56          HG23      VAL  56   7.983  -1.540  -3.831
  413    H    LYS  57           HN       LYS  57  10.751  -2.692  -2.966
  414    HA   LYS  57           HA       LYS  57   9.410  -4.525  -4.687
  415    HB2  LYS  57           HB2      LYS  57  11.972  -4.507  -5.271
  416    HB3  LYS  57           HB1      LYS  57  12.183  -5.247  -3.690
  417    HG2  LYS  57           HG2      LYS  57  12.133  -6.907  -5.486
  418    HG3  LYS  57           HG1      LYS  57  10.777  -7.125  -4.368
  419    HD2  LYS  57           HD2      LYS  57   9.321  -5.891  -5.901
  420    HD3  LYS  57           HD1      LYS  57  10.670  -5.677  -7.012
  421    HE2  LYS  57           HE2      LYS  57  10.777  -8.058  -7.391
  422    HE3  LYS  57           HE1      LYS  57   9.527  -8.337  -6.173
  423    HZ1  LYS  57           HZ1      LYS  57   8.639  -8.325  -8.507
  424    HZ2  LYS  57           HZ2      LYS  57   9.112  -6.704  -8.618
  425    HZ3  LYS  57           HZ3      LYS  57   7.958  -7.164  -7.487
  426    H    ILE  58           HN       ILE  58   8.203  -5.768  -3.280
  427    HA   ILE  58           HA       ILE  58   8.885  -5.421  -0.434
  428    HB   ILE  58           HB       ILE  58   6.100  -5.416  -1.648
  429   HG12  ILE  58          HG12      ILE  58   7.663  -3.108  -0.456
  430   HG13  ILE  58          HG11      ILE  58   7.475  -3.388  -2.180
  431   HG21  ILE  58          HG21      ILE  58   5.377  -4.735   0.606
  432   HG22  ILE  58          HG22      ILE  58   7.040  -4.887   1.182
  433   HG23  ILE  58          HG23      ILE  58   6.162  -6.315   0.636
  434   HD11  ILE  58          HD11      ILE  58   5.957  -1.677  -1.368
  435   HD12  ILE  58          HD12      ILE  58   5.246  -2.830  -0.236
  436   HD13  ILE  58          HD13      ILE  58   5.073  -3.077  -1.974
  437    HA   PRO  59           HA       PRO  59   8.835  -9.924  -0.642
  438    HB2  PRO  59           HB2      PRO  59   9.191  -9.622   2.279
  439    HB3  PRO  59           HB1      PRO  59  10.208 -10.467   1.106
  440    HG2  PRO  59           HG2      PRO  59  10.986  -8.170   2.205
  441    HG3  PRO  59           HG1      PRO  59  11.345  -8.553   0.510
  442    HD2  PRO  59           HD2      PRO  59   9.222  -6.783   1.648
  443    HD3  PRO  59           HD1      PRO  59  10.271  -6.516   0.240
  444    H    ASP  60           HN       ASP  60   7.202 -11.299  -0.384
  445    HA   ASP  60           HA       ASP  60   4.641 -10.412   0.295
  446    HB2  ASP  60           HB2      ASP  60   5.021 -12.222  -1.284
  447    HB3  ASP  60           HB1      ASP  60   5.625 -13.249   0.014
  448    H    ASP  61           HN       ASP  61   6.994 -12.104   2.236
  449    HA   ASP  61           HA       ASP  61   5.267 -12.869   4.361
  450    HB2  ASP  61           HB2      ASP  61   7.194 -13.370   5.650
  451    HB3  ASP  61           HB1      ASP  61   7.698 -13.663   3.995
  452    H    ASP  62           HN       ASP  62   6.834  -9.887   3.519
  453    HA   ASP  62           HA       ASP  62   6.449  -8.784   6.162
  454    HB2  ASP  62           HB2      ASP  62   8.455  -8.283   4.567
  455    HB3  ASP  62           HB1      ASP  62   7.345  -7.175   3.771
  456    H    VAL  63           HN       VAL  63   5.062  -8.705   3.017
  457    HA   VAL  63           HA       VAL  63   3.236  -6.626   3.132
  458    HB   VAL  63           HB       VAL  63   2.804  -9.403   1.968
  459   HG11  VAL  63          HG11      VAL  63   1.367  -6.821   1.359
  460   HG12  VAL  63          HG12      VAL  63   0.694  -8.205   2.216
  461   HG13  VAL  63          HG13      VAL  63   1.135  -8.352   0.514
  462   HG21  VAL  63          HG21      VAL  63   3.813  -6.874   0.675
  463   HG22  VAL  63          HG22      VAL  63   3.467  -8.389  -0.161
  464   HG23  VAL  63          HG23      VAL  63   4.763  -8.317   1.032
  465    H    LYS  64           HN       LYS  64   2.597 -10.025   4.028
  466    HA   LYS  64           HA       LYS  64   0.088  -9.468   5.243
  467    HB2  LYS  64           HB2      LYS  64   1.877 -11.862   5.582
  468    HB3  LYS  64           HB1      LYS  64   0.244 -11.745   6.213
  469    HG2  LYS  64           HG2      LYS  64  -0.545 -11.465   3.860
  470    HG3  LYS  64           HG1      LYS  64   1.109 -11.822   3.339
  471    HD2  LYS  64           HD2      LYS  64   1.015 -13.951   4.570
  472    HD3  LYS  64           HD1      LYS  64  -0.647 -13.599   5.027
  473    HE2  LYS  64           HE2      LYS  64  -0.630 -15.132   3.174
  474    HE3  LYS  64           HE1      LYS  64  -1.258 -13.574   2.639
  475    HZ1  LYS  64           HZ1      LYS  64   0.829 -13.078   1.619
  476    HZ2  LYS  64           HZ2      LYS  64   0.316 -14.605   1.088
  477    HZ3  LYS  64           HZ3      LYS  64   1.538 -14.477   2.259
  478    H    ASN  65           HN       ASN  65   3.130  -8.759   6.393
  479    HA   ASN  65           HA       ASN  65   2.485  -9.261   9.172
  480    HB2  ASN  65           HB2      ASN  65   4.754  -9.720   8.548
  481    HB3  ASN  65           HB1      ASN  65   4.942  -8.122   7.837
  482   HD21  ASN  65          HD21      ASN  65   4.643  -9.897  10.810
  483   HD22  ASN  65          HD22      ASN  65   5.307  -8.681  11.846
  484    H    LEU  66           HN       LEU  66   2.332  -6.701   6.883
  485    HA   LEU  66           HA       LEU  66   2.379  -4.617   8.879
  486    HB2  LEU  66           HB2      LEU  66   1.755  -4.485   5.943
  487    HB3  LEU  66           HB1      LEU  66   2.016  -3.117   7.006
  488    HG   LEU  66           HG       LEU  66   4.080  -5.170   6.222
  489   HD11  LEU  66          HD11      LEU  66   5.099  -3.283   5.059
  490   HD12  LEU  66          HD12      LEU  66   3.714  -2.302   5.581
  491   HD13  LEU  66          HD13      LEU  66   3.462  -3.645   4.461
  492   HD21  LEU  66          HD21      LEU  66   4.449  -4.363   8.503
  493   HD22  LEU  66          HD22      LEU  66   4.346  -2.694   7.931
  494   HD23  LEU  66          HD23      LEU  66   5.670  -3.728   7.400
  495    H    LYS  67           HN       LYS  67   0.482  -2.886   8.473
  496    HA   LYS  67           HA       LYS  67  -2.035  -4.372   8.453
  497    HB2  LYS  67           HB2      LYS  67  -1.226  -2.423  10.611
  498    HB3  LYS  67           HB1      LYS  67  -2.789  -3.220  10.483
  499    HG2  LYS  67           HG2      LYS  67  -1.705  -5.379  10.757
  500    HG3  LYS  67           HG1      LYS  67  -0.146  -4.560  10.855
  501    HD2  LYS  67           HD2      LYS  67  -0.838  -3.420  12.890
  502    HD3  LYS  67           HD1      LYS  67  -2.452  -4.129  12.766
  503    HE2  LYS  67           HE2      LYS  67  -1.518  -6.348  13.058
  504    HE3  LYS  67           HE1      LYS  67   0.111  -5.679  13.106
  505    HZ1  LYS  67           HZ1      LYS  67  -2.040  -5.106  15.082
  506    HZ2  LYS  67           HZ2      LYS  67  -0.474  -4.499  15.128
  507    HZ3  LYS  67           HZ3      LYS  67  -0.745  -6.152  15.327
  508    H    THR  68           HN       THR  68  -1.051  -1.018   9.169
  509    HA   THR  68           HA       THR  68  -3.193  -0.158   7.409
  510    HB   THR  68           HB       THR  68  -2.892   2.077   8.437
  511    HG1  THR  68           HG1      THR  68  -0.866   0.722   9.953
  512   HG21  THR  68          HG21      THR  68  -4.497   0.539   9.446
  513   HG22  THR  68          HG22      THR  68  -3.705   1.499  10.699
  514   HG23  THR  68          HG23      THR  68  -3.220  -0.174  10.430
  515    H    VAL  69           HN       VAL  69  -2.605   2.085   6.340
  516    HA   VAL  69           HA       VAL  69  -0.373   1.577   4.669
  517    HB   VAL  69           HB       VAL  69  -0.859   3.737   3.587
  518   HG11  VAL  69          HG11      VAL  69  -3.138   3.239   2.801
  519   HG12  VAL  69          HG12      VAL  69  -3.354   2.143   4.164
  520   HG13  VAL  69          HG13      VAL  69  -2.166   1.766   2.923
  521   HG21  VAL  69          HG21      VAL  69  -2.930   4.055   5.728
  522   HG22  VAL  69          HG22      VAL  69  -2.734   5.095   4.314
  523   HG23  VAL  69          HG23      VAL  69  -1.460   5.010   5.534
  524    H    GLY  70           HN       GLY  70  -0.822   3.137   7.654
  525    HA2  GLY  70           HA2      GLY  70   1.450   4.808   7.629
  526    HA3  GLY  70           HA1      GLY  70   0.636   4.175   9.063
  527    H    ASP  71           HN       ASP  71   0.882   1.427   8.284
  528    HA   ASP  71           HA       ASP  71   3.557   0.918   9.245
  529    HB2  ASP  71           HB2      ASP  71   1.494  -1.052   8.200
  530    HB3  ASP  71           HB1      ASP  71   2.957  -1.471   9.074
  531    H    ALA  72           HN       ALA  72   1.811   0.738   6.258
  532    HA   ALA  72           HA       ALA  72   3.667  -0.749   4.720
  533    HB1  ALA  72           HB1      ALA  72   2.366  -0.011   2.808
  534    HB2  ALA  72           HB2      ALA  72   1.551   1.191   3.806
  535    HB3  ALA  72           HB3      ALA  72   1.307  -0.528   4.119
  536    H    THR  73           HN       THR  73   3.074   2.696   5.069
  537    HA   THR  73           HA       THR  73   4.823   3.552   3.141
  538    HB   THR  73           HB       THR  73   4.858   5.697   4.524
  539    HG1  THR  73           HG1      THR  73   2.703   4.564   5.895
  540   HG21  THR  73          HG21      THR  73   3.364   5.338   2.629
  541   HG22  THR  73          HG22      THR  73   2.540   6.219   3.916
  542   HG23  THR  73          HG23      THR  73   2.225   4.502   3.682
  543    H    LYS  74           HN       LYS  74   5.385   2.812   6.543
  544    HA   LYS  74           HA       LYS  74   7.944   3.912   6.790
  545    HB2  LYS  74           HB2      LYS  74   6.498   3.168   8.695
  546    HB3  LYS  74           HB1      LYS  74   6.848   1.503   8.261
  547    HG2  LYS  74           HG2      LYS  74   9.222   1.871   8.736
  548    HG3  LYS  74           HG1      LYS  74   8.878   3.547   9.162
  549    HD2  LYS  74           HD2      LYS  74   7.402   2.765  10.974
  550    HD3  LYS  74           HD1      LYS  74   7.783   1.100  10.550
  551    HE2  LYS  74           HE2      LYS  74   9.723   3.187  11.563
  552    HE3  LYS  74           HE1      LYS  74   9.097   1.814  12.471
  553    HZ1  LYS  74           HZ1      LYS  74  10.165   0.392  10.690
  554    HZ2  LYS  74           HZ2      LYS  74  11.211   1.146  11.732
  555    HZ3  LYS  74           HZ3      LYS  74  11.004   1.781  10.191
  556    H    TYR  75           HN       TYR  75   6.879   0.788   5.545
  557    HA   TYR  75           HA       TYR  75   9.564  -0.177   5.252
  558    HB2  TYR  75           HB2      TYR  75   7.682  -1.804   5.441
  559    HB3  TYR  75           HB1      TYR  75   7.023  -1.207   3.917
  560    HD1  TYR  75           HD1      TYR  75   9.692  -3.176   5.461
  561    HD2  TYR  75           HD2      TYR  75   8.105  -1.751   1.785
  562    HE1  TYR  75           HE1      TYR  75  11.208  -4.661   4.234
  563    HE2  TYR  75           HE2      TYR  75   9.616  -3.235   0.555
  564    HH   TYR  75           HH       TYR  75  11.516  -5.653   2.064
  565    H    ILE  76           HN       ILE  76   7.131   1.159   3.112
  566    HA   ILE  76           HA       ILE  76   8.496   0.900   0.688
  567    HB   ILE  76           HB       ILE  76   6.458   3.002   1.450
  568   HG12  ILE  76          HG12      ILE  76   6.117   0.357   0.023
  569   HG13  ILE  76          HG11      ILE  76   5.769   0.622   1.728
  570   HG21  ILE  76          HG21      ILE  76   7.720   3.621  -0.567
  571   HG22  ILE  76          HG22      ILE  76   6.065   3.173  -0.978
  572   HG23  ILE  76          HG23      ILE  76   7.382   2.040  -1.270
  573   HD11  ILE  76          HD11      ILE  76   4.452   1.983  -0.589
  574   HD12  ILE  76          HD12      ILE  76   4.133   2.278   1.124
  575   HD13  ILE  76          HD13      ILE  76   3.754   0.697   0.415
  576    H    LEU  77           HN       LEU  77   8.292   3.840   2.727
  577    HA   LEU  77           HA       LEU  77  10.089   5.212   1.047
  578    HB2  LEU  77           HB2      LEU  77  10.268   6.946   2.841
  579    HB3  LEU  77           HB1      LEU  77   8.657   6.623   2.259
  580    HG   LEU  77           HG       LEU  77   8.311   5.248   4.359
  581   HD11  LEU  77          HD11      LEU  77   9.739   5.722   6.272
  582   HD12  LEU  77          HD12      LEU  77  10.844   6.620   5.229
  583   HD13  LEU  77          HD13      LEU  77  10.624   4.888   4.994
  584   HD21  LEU  77          HD21      LEU  77   7.871   7.229   5.712
  585   HD22  LEU  77          HD22      LEU  77   7.398   7.439   4.017
  586   HD23  LEU  77          HD23      LEU  77   8.879   8.181   4.614
  587    H    ASP  78           HN       ASP  78  10.637   2.954   3.402
  588    HA   ASP  78           HA       ASP  78  13.329   3.691   4.057
  589    HB2  ASP  78           HB2      ASP  78  12.067   2.301   5.584
  590    HB3  ASP  78           HB1      ASP  78  11.828   1.083   4.341
  591    H    HIS  79           HN       HIS  79  11.842   1.446   1.777
  592    HA   HIS  79           HA       HIS  79  14.491   0.949   0.616
  593    HB2  HIS  79           HB2      HIS  79  12.002  -0.725   0.544
  594    HB3  HIS  79           HB1      HIS  79  13.280  -0.962  -0.641
  595    HD1  HIS  79           HD1      HIS  79  12.637  -3.271   1.331
  596    HD2  HIS  79           HD2      HIS  79  15.501  -0.321   2.028
  597    HE1  HIS  79           HE1      HIS  79  14.226  -4.243   2.950
  598    HE2  HIS  79           HE2      HIS  79  15.625  -2.282   3.653
  599    H    GLN  80           HN       GLN  80  12.268   3.112  -0.012
  600    HA   GLN  80           HA       GLN  80  11.641   2.744  -2.745
  601    HB2  GLN  80           HB2      GLN  80  10.885   5.050  -2.773
  602    HB3  GLN  80           HB1      GLN  80  10.347   4.256  -1.299
  603    HG2  GLN  80           HG2      GLN  80  12.109   5.346  -0.047
  604    HG3  GLN  80           HG1      GLN  80  12.713   6.096  -1.517
  605   HE21  GLN  80          HE21      GLN  80   9.293   5.769  -0.702
  606   HE22  GLN  80          HE22      GLN  80   9.069   7.480  -0.498
  607    H    ALA  81           HN       ALA  81  12.596   3.235  -4.554
  608    HA   ALA  81           HA       ALA  81  14.194   3.642  -6.067
  609    HB1  ALA  81           HB1      ALA  81  13.155   5.855  -5.810
  610    HB2  ALA  81           HB2      ALA  81  14.854   5.971  -6.272
  611    HB3  ALA  81           HB3      ALA  81  14.374   6.276  -4.606
  612    H28  SXO 101          H28B      SXO 101  -6.625 -10.300   5.052
  613   H28A  SXO 101          H28A      SXO 101  -6.547 -11.076   3.461
  614    H30  SXO 101          H30A      SXO 101  -6.769 -13.210   7.086
  615   H30A  SXO 101          H30C      SXO 101  -6.698 -11.441   6.922
  616   H30B  SXO 101          H30B      SXO 101  -8.140 -12.306   6.377
  617    H31  SXO 101          H31A      SXO 101  -6.591 -13.593   3.370
  618   H31A  SXO 101          H31B      SXO 101  -8.054 -13.601   4.359
  619   H31B  SXO 101          H31C      SXO 101  -6.637 -14.538   4.866
  620    H32  SXO 101          H32A      SXO 101  -4.578 -11.647   5.891
  621   HO33  SXO 101          H33A      SXO 101  -3.968 -14.127   5.427
  622   HN36  SXO 101          H36A      SXO 101  -4.618 -10.745   3.564
  623    H37  SXO 101          H37A      SXO 101  -2.548 -12.174   2.082
  624   H37A  SXO 101          H37B      SXO 101  -3.961 -11.541   1.220
  625    H38  SXO 101          H38B      SXO 101  -2.011  -9.999   1.120
  626   H38A  SXO 101          H38A      SXO 101  -2.028  -9.907   2.886
  627   HN41  SXO 101          H41A      SXO 101  -3.617  -8.848   3.955
  628    H42  SXO 101          H42A      SXO 101  -4.758  -6.552   2.715
  629   H42A  SXO 101          H42B      SXO 101  -5.931  -7.781   3.039
  630    H43  SXO 101          H43B      SXO 101  -6.109  -6.566   4.847
  631   H43A  SXO 101          H43A      SXO 101  -5.104  -7.869   5.441
  632    H2   SXO 101           H2A      SXO 101  -0.406  -6.566   5.365
  633    H2A  SXO 101           H2B      SXO 101  -1.283  -5.127   5.917
  634    H3   SXO 101           H3B      SXO 101  -1.046  -6.129   3.103
  635    H3A  SXO 101           H3A      SXO 101  -1.953  -4.697   3.604
  636    H4   SXO 101           H4A      SXO 101   1.024  -5.132   3.891
  637    H4A  SXO 101           H4B      SXO 101   0.139  -3.691   4.408
  638    H5   SXO 101           H5B      SXO 101   0.303  -4.748   1.591
  639    H5A  SXO 101           H5A      SXO 101  -0.580  -3.316   2.109
  640    H6   SXO 101           H6A      SXO 101   2.397  -3.731   2.260
  641    H6A  SXO 101           H6B      SXO 101   1.530  -2.301   2.837
  642    H7   SXO 101           H7A      SXO 101   0.707  -1.890   0.560
  643    H7A  SXO 101           H7B      SXO 101   1.582  -3.326  -0.006
  644    H8   SXO 101           H8C      SXO 101   2.835  -1.285  -0.454
  645    H8A  SXO 101           H8A      SXO 101   3.676  -2.306   0.710
  646    H8B  SXO 101           H8B      SXO 101   2.795  -0.877   1.260
  Start of MODEL   18
    1    H1   ALA   1           HT1      ALA   1   8.999   6.634  -5.975
    2    H2   ALA   1           HT2      ALA   1  10.444   5.859  -6.382
    3    H3   ALA   1           HT3      ALA   1  10.229   7.511  -6.652
    4    HA   ALA   1           HA       ALA   1  10.196   6.275  -3.969
    5    HB1  ALA   1           HB1      ALA   1  12.469   6.369  -4.893
    6    HB2  ALA   1           HB2      ALA   1  12.273   7.530  -3.572
    7    HB3  ALA   1           HB3      ALA   1  12.258   8.087  -5.243
    8    H    ALA   2           HN       ALA   2   8.919   7.409  -2.635
    9    HA   ALA   2           HA       ALA   2   8.578  10.252  -3.055
   10    HB1  ALA   2           HB1      ALA   2   6.773   9.145  -4.307
   11    HB2  ALA   2           HB2      ALA   2   6.161  10.054  -2.928
   12    HB3  ALA   2           HB3      ALA   2   6.286   8.295  -2.836
   13    H    THR   3           HN       THR   3   7.237  11.096  -1.105
   14    HA   THR   3           HA       THR   3   8.301   9.711   1.210
   15    HB   THR   3           HB       THR   3   7.136  12.529   1.221
   16    HG1  THR   3           HG1      THR   3   9.771  11.619   0.684
   17   HG21  THR   3          HG21      THR   3   9.126  11.085   2.979
   18   HG22  THR   3          HG22      THR   3   7.550  11.763   3.480
   19   HG23  THR   3          HG23      THR   3   8.876  12.819   3.034
   20    H    GLN   4           HN       GLN   4   6.751  10.200   3.298
   21    HA   GLN   4           HA       GLN   4   5.022   8.199   3.403
   22    HB2  GLN   4           HB2      GLN   4   5.784   9.434   5.320
   23    HB3  GLN   4           HB1      GLN   4   4.751  10.789   4.881
   24    HG2  GLN   4           HG2      GLN   4   2.785   9.352   5.181
   25    HG3  GLN   4           HG1      GLN   4   3.846   8.044   5.696
   26   HE21  GLN   4          HE21      GLN   4   2.957   7.930   7.673
   27   HE22  GLN   4          HE22      GLN   4   3.180   9.098   8.921
   28    H    GLU   5           HN       GLU   5   3.711  11.565   2.822
   29    HA   GLU   5           HA       GLU   5   1.158  10.343   2.562
   30    HB2  GLU   5           HB2      GLU   5   0.246  12.537   2.125
   31    HB3  GLU   5           HB1      GLU   5   1.311  12.585   3.517
   32    HG2  GLU   5           HG2      GLU   5   3.039  13.589   2.177
   33    HG3  GLU   5           HG1      GLU   5   2.019  13.480   0.746
   34    H    GLU   6           HN       GLU   6   3.582  11.446   0.282
   35    HA   GLU   6           HA       GLU   6   1.954  11.169  -2.018
   36    HB2  GLU   6           HB2      GLU   6   4.936  10.834  -1.716
   37    HB3  GLU   6           HB1      GLU   6   4.106  10.920  -3.261
   38    HG2  GLU   6           HG2      GLU   6   4.361  13.081  -1.187
   39    HG3  GLU   6           HG1      GLU   6   5.150  13.019  -2.761
   40    H    ILE   7           HN       ILE   7   3.866   8.981  -0.101
   41    HA   ILE   7           HA       ILE   7   3.715   6.728  -1.678
   42    HB   ILE   7           HB       ILE   7   3.867   6.973   1.332
   43   HG12  ILE   7          HG12      ILE   7   5.831   7.787   0.177
   44   HG13  ILE   7          HG11      ILE   7   6.219   6.278   0.993
   45   HG21  ILE   7          HG21      ILE   7   4.169   4.449  -0.294
   46   HG22  ILE   7          HG22      ILE   7   2.868   4.810   0.840
   47   HG23  ILE   7          HG23      ILE   7   4.520   4.609   1.426
   48   HD11  ILE   7          HD11      ILE   7   6.038   5.092  -1.141
   49   HD12  ILE   7          HD12      ILE   7   7.237   6.375  -1.203
   50   HD13  ILE   7          HD13      ILE   7   5.654   6.614  -1.943
   51    H    VAL   8           HN       VAL   8   1.638   7.739   1.074
   52    HA   VAL   8           HA       VAL   8  -0.287   5.705   0.979
   53    HB   VAL   8           HB       VAL   8  -0.847   8.608   1.717
   54   HG11  VAL   8          HG11      VAL   8  -2.191   6.047   2.530
   55   HG12  VAL   8          HG12      VAL   8  -2.839   7.258   1.420
   56   HG13  VAL   8          HG13      VAL   8  -2.600   7.656   3.120
   57   HG21  VAL   8          HG21      VAL   8   0.066   6.344   3.462
   58   HG22  VAL   8          HG22      VAL   8  -0.442   7.936   4.012
   59   HG23  VAL   8          HG23      VAL   8   1.021   7.766   3.023
   60    H    ALA   9           HN       ALA   9  -0.312   8.879  -0.614
   61    HA   ALA   9           HA       ALA   9  -2.738   8.591  -1.980
   62    HB1  ALA   9           HB1      ALA   9  -1.574  10.731  -1.732
   63    HB2  ALA   9           HB2      ALA   9  -1.941  10.388  -3.424
   64    HB3  ALA   9           HB3      ALA   9  -0.305  10.157  -2.810
   65    H    GLY  10           HN       GLY  10   0.516   7.552  -2.785
   66    HA2  GLY  10           HA2      GLY  10   0.024   6.793  -5.470
   67    HA3  GLY  10           HA1      GLY  10   1.358   6.228  -4.468
   68    H    LEU  11           HN       LEU  11  -0.129   5.123  -2.421
   69    HA   LEU  11           HA       LEU  11  -0.727   2.535  -3.326
   70    HB2  LEU  11           HB2      LEU  11  -1.679   3.976  -0.849
   71    HB3  LEU  11           HB1      LEU  11  -1.828   2.253  -1.121
   72    HG   LEU  11           HG       LEU  11   0.810   3.707  -0.949
   73   HD11  LEU  11          HD11      LEU  11  -0.669   2.111   1.144
   74   HD12  LEU  11          HD12      LEU  11  -0.374   3.851   1.178
   75   HD13  LEU  11          HD13      LEU  11   0.977   2.724   1.299
   76   HD21  LEU  11          HD21      LEU  11   0.110   0.772  -0.837
   77   HD22  LEU  11          HD22      LEU  11   1.726   1.457  -0.685
   78   HD23  LEU  11          HD23      LEU  11   0.842   1.601  -2.209
   79    H    ALA  12           HN       ALA  12  -2.757   5.270  -2.482
   80    HA   ALA  12           HA       ALA  12  -5.216   4.037  -3.037
   81    HB1  ALA  12           HB1      ALA  12  -4.591   6.976  -3.011
   82    HB2  ALA  12           HB2      ALA  12  -5.003   5.982  -1.602
   83    HB3  ALA  12           HB3      ALA  12  -6.182   6.215  -2.897
   84    H    GLU  13           HN       GLU  13  -2.879   5.558  -5.116
   85    HA   GLU  13           HA       GLU  13  -4.496   6.212  -7.301
   86    HB2  GLU  13           HB2      GLU  13  -1.634   5.249  -7.212
   87    HB3  GLU  13           HB1      GLU  13  -2.425   5.753  -8.694
   88    HG2  GLU  13           HG2      GLU  13  -2.715   7.998  -7.777
   89    HG3  GLU  13           HG1      GLU  13  -1.942   7.482  -6.277
   90    H    ILE  14           HN       ILE  14  -2.884   3.192  -6.483
   91    HA   ILE  14           HA       ILE  14  -4.222   1.990  -8.720
   92    HB   ILE  14           HB       ILE  14  -2.473   0.535  -6.694
   93   HG12  ILE  14          HG12      ILE  14  -0.844   0.423  -8.705
   94   HG13  ILE  14          HG11      ILE  14  -1.781   1.745  -9.381
   95   HG21  ILE  14          HG21      ILE  14  -2.376  -1.232  -8.383
   96   HG22  ILE  14          HG22      ILE  14  -3.505  -0.298  -9.384
   97   HG23  ILE  14          HG23      ILE  14  -4.018  -0.911  -7.807
   98   HD11  ILE  14          HD11      ILE  14  -1.197   3.116  -7.424
   99   HD12  ILE  14          HD12      ILE  14   0.224   2.555  -8.309
  100   HD13  ILE  14          HD13      ILE  14  -0.231   1.776  -6.799
  101    H    VAL  15           HN       VAL  15  -4.552   1.992  -5.185
  102    HA   VAL  15           HA       VAL  15  -6.471  -0.051  -5.106
  103    HB   VAL  15           HB       VAL  15  -6.250   2.272  -3.126
  104   HG11  VAL  15          HG11      VAL  15  -7.473   0.838  -1.556
  105   HG12  VAL  15          HG12      VAL  15  -7.650  -0.390  -2.810
  106   HG13  VAL  15          HG13      VAL  15  -8.449   1.172  -2.989
  107   HG21  VAL  15          HG21      VAL  15  -5.194  -0.545  -2.986
  108   HG22  VAL  15          HG22      VAL  15  -5.085   0.660  -1.706
  109   HG23  VAL  15          HG23      VAL  15  -4.222   0.911  -3.232
  110    H    ASN  16           HN       ASN  16  -6.733   3.201  -6.128
  111    HA   ASN  16           HA       ASN  16  -9.523   3.553  -6.080
  112    HB2  ASN  16           HB2      ASN  16  -8.075   5.450  -6.373
  113    HB3  ASN  16           HB1      ASN  16  -7.366   4.754  -7.820
  114   HD21  ASN  16          HD21      ASN  16 -10.182   6.235  -6.469
  115   HD22  ASN  16          HD22      ASN  16 -10.890   6.749  -7.955
  116    H    GLU  17           HN       GLU  17  -7.402   2.127  -8.529
  117    HA   GLU  17           HA       GLU  17  -9.694   1.741 -10.243
  118    HB2  GLU  17           HB2      GLU  17  -8.109   0.619 -11.801
  119    HB3  GLU  17           HB1      GLU  17  -7.636   2.253 -11.380
  120    HG2  GLU  17           HG2      GLU  17  -6.026   1.318  -9.753
  121    HG3  GLU  17           HG1      GLU  17  -6.473  -0.297 -10.300
  122    H    ILE  18           HN       ILE  18  -7.811  -0.105  -8.018
  123    HA   ILE  18           HA       ILE  18  -8.829  -2.691  -8.672
  124    HB   ILE  18           HB       ILE  18  -7.693  -1.644  -6.060
  125   HG12  ILE  18          HG12      ILE  18  -6.141  -1.382  -7.849
  126   HG13  ILE  18          HG11      ILE  18  -5.582  -2.685  -6.801
  127   HG21  ILE  18          HG21      ILE  18  -8.034  -4.503  -6.957
  128   HG22  ILE  18          HG22      ILE  18  -8.933  -3.690  -5.675
  129   HG23  ILE  18          HG23      ILE  18  -7.204  -3.972  -5.493
  130   HD11  ILE  18          HD11      ILE  18  -6.446  -4.318  -8.405
  131   HD12  ILE  18          HD12      ILE  18  -5.248  -3.248  -9.149
  132   HD13  ILE  18          HD13      ILE  18  -6.975  -3.001  -9.449
  133    H    ALA  19           HN       ALA  19  -9.601  -0.392  -6.074
  134    HA   ALA  19           HA       ALA  19 -12.019  -1.921  -5.530
  135    HB1  ALA  19           HB1      ALA  19 -10.472  -1.641  -3.681
  136    HB2  ALA  19           HB2      ALA  19 -12.020  -0.849  -3.346
  137    HB3  ALA  19           HB3      ALA  19 -10.606   0.111  -3.819
  138    H    GLY  20           HN       GLY  20 -10.967   1.467  -5.585
  139    HA2  GLY  20           HA2      GLY  20 -12.387   2.822  -7.209
  140    HA3  GLY  20           HA1      GLY  20 -13.757   2.121  -6.363
  141    H    ILE  21           HN       ILE  21 -11.257   2.812  -4.215
  142    HA   ILE  21           HA       ILE  21 -12.786   4.939  -3.109
  143    HB   ILE  21           HB       ILE  21 -10.830   5.139  -1.462
  144   HG12  ILE  21          HG12      ILE  21  -9.502   2.987  -1.218
  145   HG13  ILE  21          HG11      ILE  21 -10.052   2.545  -2.824
  146   HG21  ILE  21          HG21      ILE  21 -12.914   4.176  -0.883
  147   HG22  ILE  21          HG22      ILE  21 -11.608   3.217  -0.182
  148   HG23  ILE  21          HG23      ILE  21 -12.456   2.641  -1.616
  149   HD11  ILE  21          HD11      ILE  21  -8.882   4.495  -3.742
  150   HD12  ILE  21          HD12      ILE  21  -7.792   3.414  -2.879
  151   HD13  ILE  21          HD13      ILE  21  -8.325   4.918  -2.122
  152    HA   PRO  22           HA       PRO  22 -10.930   8.499  -4.889
  153    HB2  PRO  22           HB2      PRO  22 -11.088   9.710  -2.186
  154    HB3  PRO  22           HB1      PRO  22 -11.800  10.263  -3.704
  155    HG2  PRO  22           HG2      PRO  22 -13.320   9.194  -1.803
  156    HG3  PRO  22           HG1      PRO  22 -13.628   8.850  -3.515
  157    HD2  PRO  22           HD2      PRO  22 -12.268   7.160  -1.457
  158    HD3  PRO  22           HD1      PRO  22 -13.428   6.686  -2.714
  159    H    VAL  23           HN       VAL  23  -8.927   9.206  -5.124
  160    HA   VAL  23           HA       VAL  23  -6.756   8.013  -3.683
  161    HB   VAL  23           HB       VAL  23  -5.283   9.367  -5.168
  162   HG11  VAL  23          HG11      VAL  23  -5.993   8.310  -7.269
  163   HG12  VAL  23          HG12      VAL  23  -7.570   7.965  -6.559
  164   HG13  VAL  23          HG13      VAL  23  -6.124   7.190  -5.913
  165   HG21  VAL  23          HG21      VAL  23  -6.656  11.344  -5.289
  166   HG22  VAL  23          HG22      VAL  23  -7.916  10.445  -6.108
  167   HG23  VAL  23          HG23      VAL  23  -6.367  10.731  -6.929
  168    H    GLU  24           HN       GLU  24  -8.518  10.104  -2.382
  169    HA   GLU  24           HA       GLU  24  -6.354  11.506  -0.971
  170    HB2  GLU  24           HB2      GLU  24  -7.812  13.504  -0.835
  171    HB3  GLU  24           HB1      GLU  24  -7.360  13.114  -2.491
  172    HG2  GLU  24           HG2      GLU  24  -9.523  12.039  -2.832
  173    HG3  GLU  24           HG1      GLU  24  -9.979  12.440  -1.181
  174    H    ASP  25           HN       ASP  25  -8.674   9.288  -0.855
  175    HA   ASP  25           HA       ASP  25  -9.973  10.058   1.640
  176    HB2  ASP  25           HB2      ASP  25 -11.195   8.947  -0.253
  177    HB3  ASP  25           HB1      ASP  25 -10.214   7.530   0.026
  178    H    VAL  26           HN       VAL  26  -7.705   7.843   0.304
  179    HA   VAL  26           HA       VAL  26  -7.186   6.445   2.772
  180    HB   VAL  26           HB       VAL  26  -5.639   6.464   0.155
  181   HG11  VAL  26          HG11      VAL  26  -5.564   4.525   2.471
  182   HG12  VAL  26          HG12      VAL  26  -4.298   5.678   2.040
  183   HG13  VAL  26          HG13      VAL  26  -4.684   4.348   0.951
  184   HG21  VAL  26          HG21      VAL  26  -6.779   4.351  -0.320
  185   HG22  VAL  26          HG22      VAL  26  -7.923   5.687  -0.167
  186   HG23  VAL  26          HG23      VAL  26  -7.728   4.537   1.155
  187    H    LYS  27           HN       LYS  27  -6.587   7.843   4.225
  188    HA   LYS  27           HA       LYS  27  -4.081   9.259   3.775
  189    HB2  LYS  27           HB2      LYS  27  -6.365   9.803   5.694
  190    HB3  LYS  27           HB1      LYS  27  -4.815  10.637   5.774
  191    HG2  LYS  27           HG2      LYS  27  -5.144  11.525   3.539
  192    HG3  LYS  27           HG1      LYS  27  -6.663  10.646   3.393
  193    HD2  LYS  27           HD2      LYS  27  -7.638  11.959   5.161
  194    HD3  LYS  27           HD1      LYS  27  -6.094  12.761   5.461
  195    HE2  LYS  27           HE2      LYS  27  -7.672  12.926   2.896
  196    HE3  LYS  27           HE1      LYS  27  -7.639  14.164   4.148
  197    HZ1  LYS  27           HZ1      LYS  27  -6.079  14.729   2.375
  198    HZ2  LYS  27           HZ2      LYS  27  -5.307  13.259   2.530
  199    HZ3  LYS  27           HZ3      LYS  27  -5.232  14.368   3.788
  200    H    LEU  28           HN       LEU  28  -3.403   9.481   6.590
  201    HA   LEU  28           HA       LEU  28  -2.062   7.036   6.652
  202    HB2  LEU  28           HB2      LEU  28  -2.063   9.321   8.527
  203    HB3  LEU  28           HB1      LEU  28  -1.369   7.803   9.066
  204    HG   LEU  28           HG       LEU  28   0.397   9.169   8.235
  205   HD11  LEU  28          HD11      LEU  28   0.629   6.836   7.768
  206   HD12  LEU  28          HD12      LEU  28   1.294   7.769   6.425
  207   HD13  LEU  28          HD13      LEU  28  -0.288   7.008   6.273
  208   HD21  LEU  28          HD21      LEU  28  -1.133   9.389   5.635
  209   HD22  LEU  28          HD22      LEU  28   0.493  10.010   5.932
  210   HD23  LEU  28          HD23      LEU  28  -0.883  10.691   6.797
  211    H    ASP  29           HN       ASP  29  -4.992   7.751   8.370
  212    HA   ASP  29           HA       ASP  29  -4.629   5.235   9.781
  213    HB2  ASP  29           HB2      ASP  29  -6.772   7.337  10.113
  214    HB3  ASP  29           HB1      ASP  29  -6.858   5.767  10.900
  215    H    LYS  30           HN       LYS  30  -4.573   4.267   7.774
  216    HA   LYS  30           HA       LYS  30  -7.201   3.140   7.006
  217    HB2  LYS  30           HB2      LYS  30  -5.036   4.109   5.137
  218    HB3  LYS  30           HB1      LYS  30  -6.375   3.077   4.645
  219    HG2  LYS  30           HG2      LYS  30  -6.800   5.663   6.010
  220    HG3  LYS  30           HG1      LYS  30  -6.562   5.585   4.253
  221    HD2  LYS  30           HD2      LYS  30  -8.470   4.189   3.993
  222    HD3  LYS  30           HD1      LYS  30  -8.612   3.961   5.734
  223    HE2  LYS  30           HE2      LYS  30  -8.800   6.616   4.435
  224    HE3  LYS  30           HE1      LYS  30 -10.233   5.586   4.633
  225    HZ1  LYS  30           HZ1      LYS  30  -8.514   6.776   6.764
  226    HZ2  LYS  30           HZ2      LYS  30  -9.658   5.562   7.051
  227    HZ3  LYS  30           HZ3      LYS  30 -10.159   7.053   6.458
  228    H    SER  31           HN       SER  31  -7.159   0.942   6.863
  229    HA   SER  31           HA       SER  31  -4.579  -0.355   6.481
  230    HB2  SER  31           HB2      SER  31  -5.626  -2.327   7.613
  231    HB3  SER  31           HB1      SER  31  -5.443  -0.923   8.667
  232    HG   SER  31           HG       SER  31  -7.475  -1.245   9.027
  233    H    PHE  32           HN       PHE  32  -4.827  -2.430   5.214
  234    HA   PHE  32           HA       PHE  32  -6.247  -1.681   2.778
  235    HB2  PHE  32           HB2      PHE  32  -4.274  -3.857   3.379
  236    HB3  PHE  32           HB1      PHE  32  -4.837  -3.366   1.786
  237    HD1  PHE  32           HD2      PHE  32  -4.118  -1.251   0.806
  238    HD2  PHE  32           HD1      PHE  32  -2.662  -2.537   4.595
  239    HE1  PHE  32           HE2      PHE  32  -2.331   0.427   0.686
  240    HE2  PHE  32           HE1      PHE  32  -0.873  -0.856   4.479
  241    HZ   PHE  32           HZ       PHE  32  -0.635   0.543   2.493
  242    H    THR  33           HN       THR  33  -7.816  -2.738   4.984
  243    HA   THR  33           HA       THR  33  -9.539  -4.253   3.480
  244    HB   THR  33           HB       THR  33  -8.118  -6.140   3.537
  245    HG1  THR  33           HG1      THR  33  -9.575  -7.547   4.132
  246   HG21  THR  33          HG21      THR  33  -6.627  -5.564   5.397
  247   HG22  THR  33          HG22      THR  33  -7.228  -7.202   5.587
  248   HG23  THR  33          HG23      THR  33  -7.915  -5.893   6.558
  249    H    ASP  34           HN       ASP  34  -8.489  -3.992   6.863
  250    HA   ASP  34           HA       ASP  34 -11.104  -4.340   7.854
  251    HB2  ASP  34           HB2      ASP  34  -8.699  -3.161   9.252
  252    HB3  ASP  34           HB1      ASP  34 -10.181  -3.712  10.030
  253    H    ASP  35           HN       ASP  35  -9.115  -1.429   7.470
  254    HA   ASP  35           HA       ASP  35 -11.328   0.247   8.297
  255    HB2  ASP  35           HB2      ASP  35  -8.831   0.877   8.653
  256    HB3  ASP  35           HB1      ASP  35  -8.825   1.187   6.935
  257    H    LEU  36           HN       LEU  36  -9.723  -0.611   5.305
  258    HA   LEU  36           HA       LEU  36 -11.380   1.165   3.752
  259    HB2  LEU  36           HB2      LEU  36  -9.209  -0.787   3.044
  260    HB3  LEU  36           HB1      LEU  36 -10.171   0.012   1.816
  261    HG   LEU  36           HG       LEU  36  -8.463   1.456   3.855
  262   HD11  LEU  36          HD11      LEU  36  -7.086   0.181   2.287
  263   HD12  LEU  36          HD12      LEU  36  -6.963   1.914   1.975
  264   HD13  LEU  36          HD13      LEU  36  -7.960   0.898   0.933
  265   HD21  LEU  36          HD21      LEU  36  -8.875   3.399   2.430
  266   HD22  LEU  36          HD22      LEU  36 -10.381   2.743   3.071
  267   HD23  LEU  36          HD23      LEU  36  -9.920   2.419   1.398
  268    H    ASP  37           HN       ASP  37 -11.954  -0.201   1.494
  269    HA   ASP  37           HA       ASP  37 -13.786  -2.310   2.439
  270    HB2  ASP  37           HB2      ASP  37 -15.432  -1.654   0.766
  271    HB3  ASP  37           HB1      ASP  37 -15.049  -0.268   1.764
  272    H    VAL  38           HN       VAL  38 -11.106  -1.767   0.904
  273    HA   VAL  38           HA       VAL  38 -11.437  -3.676  -1.243
  274    HB   VAL  38           HB       VAL  38 -10.007  -1.673  -1.637
  275   HG11  VAL  38          HG11      VAL  38  -8.237  -2.735   0.546
  276   HG12  VAL  38          HG12      VAL  38  -9.189  -1.252   0.592
  277   HG13  VAL  38          HG13      VAL  38  -7.842  -1.399  -0.538
  278   HG21  VAL  38          HG21      VAL  38  -8.441  -4.244  -1.581
  279   HG22  VAL  38          HG22      VAL  38  -8.002  -2.802  -2.498
  280   HG23  VAL  38          HG23      VAL  38  -9.482  -3.678  -2.888
  281    H    ASP  39           HN       ASP  39 -11.062  -5.747  -0.908
  282    HA   ASP  39           HA       ASP  39 -10.343  -6.647   1.710
  283    HB2  ASP  39           HB2      ASP  39 -10.889  -8.167  -0.824
  284    HB3  ASP  39           HB1      ASP  39 -10.383  -8.956   0.667
  285    H    SER  40           HN       SER  40  -8.717  -8.303   2.070
  286    HA   SER  40           HA       SER  40  -6.174  -7.281   1.445
  287    HB2  SER  40           HB2      SER  40  -5.439  -9.354   2.614
  288    HB3  SER  40           HB1      SER  40  -6.621  -8.375   3.502
  289    H    LEU  41           HN       LEU  41  -7.972 -10.102   0.414
  290    HA   LEU  41           HA       LEU  41  -6.055 -11.196  -1.265
  291    HB2  LEU  41           HB2      LEU  41  -9.067 -11.397  -1.436
  292    HB3  LEU  41           HB1      LEU  41  -8.016 -12.267  -2.521
  293    HG   LEU  41           HG       LEU  41  -7.042 -13.417  -0.469
  294   HD11  LEU  41          HD11      LEU  41  -8.462 -13.511   1.519
  295   HD12  LEU  41          HD12      LEU  41  -9.426 -12.177   0.889
  296   HD13  LEU  41          HD13      LEU  41  -7.719 -11.940   1.280
  297   HD21  LEU  41          HD21      LEU  41  -9.955 -13.824  -1.095
  298   HD22  LEU  41          HD22      LEU  41  -8.907 -14.987  -0.287
  299   HD23  LEU  41          HD23      LEU  41  -8.589 -14.528  -1.960
  300    H    SER  42           HN       SER  42  -8.129  -8.516  -1.604
  301    HA   SER  42           HA       SER  42  -7.914  -8.238  -4.450
  302    HB2  SER  42           HB2      SER  42  -9.989  -7.597  -3.301
  303    HB3  SER  42           HB1      SER  42  -9.088  -6.449  -2.313
  304    HG   SER  42           HG       SER  42 -10.042  -6.222  -4.878
  305    H    MET  43           HN       MET  43  -6.515  -6.741  -1.478
  306    HA   MET  43           HA       MET  43  -5.067  -4.719  -2.699
  307    HB2  MET  43           HB2      MET  43  -5.258  -4.991  -0.206
  308    HB3  MET  43           HB1      MET  43  -4.087  -6.306  -0.309
  309    HG2  MET  43           HG2      MET  43  -2.586  -4.623  -1.509
  310    HG3  MET  43           HG1      MET  43  -3.672  -3.391  -0.899
  311    HE1  MET  43           HE1      MET  43  -0.849  -5.967  -0.129
  312    HE2  MET  43           HE2      MET  43  -2.182  -6.736   0.743
  313    HE3  MET  43           HE3      MET  43  -0.842  -6.018   1.630
  314    H    VAL  44           HN       VAL  44  -4.569  -8.064  -2.657
  315    HA   VAL  44           HA       VAL  44  -1.852  -8.304  -3.182
  316    HB   VAL  44           HB       VAL  44  -4.091 -10.060  -4.227
  317   HG11  VAL  44          HG11      VAL  44  -1.157 -10.677  -3.899
  318   HG12  VAL  44          HG12      VAL  44  -2.021 -10.492  -5.425
  319   HG13  VAL  44          HG13      VAL  44  -2.410 -11.833  -4.349
  320   HG21  VAL  44          HG21      VAL  44  -2.464 -10.252  -1.675
  321   HG22  VAL  44          HG22      VAL  44  -3.632 -11.445  -2.229
  322   HG23  VAL  44          HG23      VAL  44  -4.159  -9.826  -1.810
  323    H    GLU  45           HN       GLU  45  -4.361  -7.160  -5.261
  324    HA   GLU  45           HA       GLU  45  -2.852  -7.411  -7.682
  325    HB2  GLU  45           HB2      GLU  45  -5.335  -5.817  -7.041
  326    HB3  GLU  45           HB1      GLU  45  -4.653  -5.998  -8.652
  327    HG2  GLU  45           HG2      GLU  45  -5.738  -8.216  -6.922
  328    HG3  GLU  45           HG1      GLU  45  -6.530  -7.504  -8.329
  329    H    VAL  46           HN       VAL  46  -3.440  -4.861  -5.302
  330    HA   VAL  46           HA       VAL  46  -1.984  -2.954  -6.870
  331    HB   VAL  46           HB       VAL  46  -3.883  -2.058  -5.752
  332   HG11  VAL  46          HG11      VAL  46  -4.141  -2.003  -3.325
  333   HG12  VAL  46          HG12      VAL  46  -2.725  -3.052  -3.183
  334   HG13  VAL  46          HG13      VAL  46  -4.174  -3.623  -4.016
  335   HG21  VAL  46          HG21      VAL  46  -1.423  -1.107  -4.293
  336   HG22  VAL  46          HG22      VAL  46  -2.961  -0.243  -4.378
  337   HG23  VAL  46          HG23      VAL  46  -2.017  -0.508  -5.844
  338    H    VAL  47           HN       VAL  47  -1.303  -4.976  -4.089
  339    HA   VAL  47           HA       VAL  47   0.958  -3.561  -3.200
  340    HB   VAL  47           HB       VAL  47  -0.117  -5.291  -1.797
  341   HG11  VAL  47          HG11      VAL  47  -0.582  -6.994  -3.447
  342   HG12  VAL  47          HG12      VAL  47   0.345  -7.665  -2.104
  343   HG13  VAL  47          HG13      VAL  47   1.144  -7.309  -3.636
  344   HG21  VAL  47          HG21      VAL  47   2.809  -5.810  -2.295
  345   HG22  VAL  47          HG22      VAL  47   1.916  -6.302  -0.856
  346   HG23  VAL  47          HG23      VAL  47   2.123  -4.589  -1.221
  347    H    VAL  48           HN       VAL  48   0.700  -6.071  -5.639
  348    HA   VAL  48           HA       VAL  48   3.497  -6.286  -6.040
  349    HB   VAL  48           HB       VAL  48   1.884  -8.071  -6.680
  350   HG11  VAL  48          HG11      VAL  48   0.071  -6.789  -7.559
  351   HG12  VAL  48          HG12      VAL  48   0.620  -7.948  -8.770
  352   HG13  VAL  48          HG13      VAL  48   1.060  -6.245  -8.911
  353   HG21  VAL  48          HG21      VAL  48   4.098  -8.130  -7.652
  354   HG22  VAL  48          HG22      VAL  48   3.575  -7.077  -8.964
  355   HG23  VAL  48          HG23      VAL  48   2.910  -8.704  -8.823
  356    H    ALA  49           HN       ALA  49   1.027  -4.203  -7.279
  357    HA   ALA  49           HA       ALA  49   2.633  -3.113  -9.408
  358    HB1  ALA  49           HB1      ALA  49   0.196  -3.282  -9.647
  359    HB2  ALA  49           HB2      ALA  49   0.731  -1.604  -9.762
  360    HB3  ALA  49           HB3      ALA  49  -0.013  -2.194  -8.274
  361    H    ALA  50           HN       ALA  50   2.195  -2.579  -6.079
  362    HA   ALA  50           HA       ALA  50   2.840   0.176  -6.041
  363    HB1  ALA  50           HB1      ALA  50   3.064  -1.861  -3.818
  364    HB2  ALA  50           HB2      ALA  50   1.639  -0.895  -4.191
  365    HB3  ALA  50           HB3      ALA  50   3.111  -0.109  -3.625
  366    H    GLU  51           HN       GLU  51   4.638  -2.777  -6.062
  367    HA   GLU  51           HA       GLU  51   7.101  -1.862  -5.148
  368    HB2  GLU  51           HB2      GLU  51   6.560  -3.986  -7.215
  369    HB3  GLU  51           HB1      GLU  51   8.090  -3.734  -6.391
  370    HG2  GLU  51           HG2      GLU  51   6.947  -4.188  -4.242
  371    HG3  GLU  51           HG1      GLU  51   5.484  -4.563  -5.154
  372    H    GLU  52           HN       GLU  52   5.862  -2.005  -8.454
  373    HA   GLU  52           HA       GLU  52   8.159  -0.796  -9.579
  374    HB2  GLU  52           HB2      GLU  52   6.767  -0.557 -11.634
  375    HB3  GLU  52           HB1      GLU  52   6.757  -2.182 -10.975
  376    HG2  GLU  52           HG2      GLU  52   4.559  -1.708  -9.936
  377    HG3  GLU  52           HG1      GLU  52   4.598  -0.121 -10.675
  378    H    ARG  53           HN       ARG  53   5.036   0.475  -8.553
  379    HA   ARG  53           HA       ARG  53   5.321   3.092  -9.549
  380    HB2  ARG  53           HB2      ARG  53   3.650   1.998  -7.301
  381    HB3  ARG  53           HB1      ARG  53   3.611   3.691  -7.758
  382    HG2  ARG  53           HG2      ARG  53   2.998   1.437  -9.657
  383    HG3  ARG  53           HG1      ARG  53   1.777   2.259  -8.689
  384    HD2  ARG  53           HD2      ARG  53   2.382   4.395  -9.761
  385    HD3  ARG  53           HD1      ARG  53   3.584   3.552 -10.741
  386    HE   ARG  53           HE       ARG  53   1.366   2.187 -11.327
  387   HH11  ARG  53          HH11      ARG  53   1.710   5.731 -11.179
  388   HH12  ARG  53          HH12      ARG  53   0.707   5.991 -12.531
  389   HH21  ARG  53          HH21      ARG  53  -0.024   2.586 -13.068
  390   HH22  ARG  53          HH22      ARG  53  -0.367   4.161 -13.619
  391    H    PHE  54           HN       PHE  54   6.306   1.726  -6.426
  392    HA   PHE  54           HA       PHE  54   7.160   4.412  -5.668
  393    HB2  PHE  54           HB2      PHE  54   6.882   1.962  -3.956
  394    HB3  PHE  54           HB1      PHE  54   7.377   3.555  -3.392
  395    HD1  PHE  54           HD2      PHE  54   5.715   5.475  -4.230
  396    HD2  PHE  54           HD1      PHE  54   4.711   1.399  -3.617
  397    HE1  PHE  54           HE2      PHE  54   3.372   6.100  -3.926
  398    HE2  PHE  54           HE1      PHE  54   2.359   2.020  -3.316
  399    HZ   PHE  54           HZ       PHE  54   1.691   4.357  -3.467
  400    H    ASP  55           HN       ASP  55   8.538   1.748  -7.043
  401    HA   ASP  55           HA       ASP  55  10.691   1.134  -7.508
  402    HB2  ASP  55           HB2      ASP  55  11.466   3.601  -5.913
  403    HB3  ASP  55           HB1      ASP  55  12.617   2.621  -6.817
  404    H    VAL  56           HN       VAL  56   9.423  -0.188  -5.606
  405    HA   VAL  56           HA       VAL  56  11.496  -0.675  -3.569
  406    HB   VAL  56           HB       VAL  56   9.713  -1.388  -1.944
  407   HG11  VAL  56          HG11      VAL  56   9.565   1.487  -2.768
  408   HG12  VAL  56          HG12      VAL  56  10.787   0.740  -1.727
  409   HG13  VAL  56          HG13      VAL  56   9.104   0.782  -1.211
  410   HG21  VAL  56          HG21      VAL  56   7.431  -0.534  -2.267
  411   HG22  VAL  56          HG22      VAL  56   7.879  -1.760  -3.447
  412   HG23  VAL  56          HG23      VAL  56   7.864  -0.053  -3.910
  413    H    LYS  57           HN       LYS  57  10.720  -2.807  -2.341
  414    HA   LYS  57           HA       LYS  57   9.834  -4.843  -4.204
  415    HB2  LYS  57           HB2      LYS  57  12.328  -4.902  -4.166
  416    HB3  LYS  57           HB1      LYS  57  12.281  -5.047  -2.414
  417    HG2  LYS  57           HG2      LYS  57  11.129  -7.207  -2.631
  418    HG3  LYS  57           HG1      LYS  57  11.203  -7.056  -4.389
  419    HD2  LYS  57           HD2      LYS  57  12.999  -8.480  -3.639
  420    HD3  LYS  57           HD1      LYS  57  13.672  -6.961  -4.231
  421    HE2  LYS  57           HE2      LYS  57  13.748  -6.168  -1.856
  422    HE3  LYS  57           HE1      LYS  57  13.272  -7.794  -1.362
  423    HZ1  LYS  57           HZ1      LYS  57  15.655  -7.577  -1.241
  424    HZ2  LYS  57           HZ2      LYS  57  15.708  -7.014  -2.831
  425    HZ3  LYS  57           HZ3      LYS  57  15.274  -8.616  -2.531
  426    H    ILE  58           HN       ILE  58   8.267  -5.905  -3.215
  427    HA   ILE  58           HA       ILE  58   8.196  -5.907  -0.269
  428    HB   ILE  58           HB       ILE  58   5.714  -5.554  -1.999
  429   HG12  ILE  58          HG12      ILE  58   7.125  -3.429  -0.360
  430   HG13  ILE  58          HG11      ILE  58   7.236  -3.555  -2.112
  431   HG21  ILE  58          HG21      ILE  58   5.356  -6.609   0.187
  432   HG22  ILE  58          HG22      ILE  58   4.643  -4.998   0.144
  433   HG23  ILE  58          HG23      ILE  58   6.175  -5.261   0.977
  434   HD11  ILE  58          HD11      ILE  58   4.835  -3.162  -2.286
  435   HD12  ILE  58          HD12      ILE  58   5.649  -1.844  -1.446
  436   HD13  ILE  58          HD13      ILE  58   4.727  -3.042  -0.531
  437    HA   PRO  59           HA       PRO  59   7.847 -10.256  -1.608
  438    HB2  PRO  59           HB2      PRO  59   8.620 -10.732   1.188
  439    HB3  PRO  59           HB1      PRO  59   9.420 -11.254  -0.297
  440    HG2  PRO  59           HG2      PRO  59  10.486  -9.362   1.265
  441    HG3  PRO  59           HG1      PRO  59  10.616  -9.299  -0.505
  442    HD2  PRO  59           HD2      PRO  59   8.737  -7.831   1.311
  443    HD3  PRO  59           HD1      PRO  59   9.684  -7.219  -0.065
  444    H    ASP  60           HN       ASP  60   6.375 -11.836  -1.124
  445    HA   ASP  60           HA       ASP  60   3.830 -11.136  -0.292
  446    HB2  ASP  60           HB2      ASP  60   5.063 -13.899  -0.427
  447    HB3  ASP  60           HB1      ASP  60   3.343 -13.577  -0.271
  448    H    ASP  61           HN       ASP  61   6.356 -12.778   1.540
  449    HA   ASP  61           HA       ASP  61   4.691 -13.266   3.834
  450    HB2  ASP  61           HB2      ASP  61   7.711 -13.218   3.717
  451    HB3  ASP  61           HB1      ASP  61   6.746 -13.845   5.039
  452    H    ASP  62           HN       ASP  62   6.806 -10.713   2.830
  453    HA   ASP  62           HA       ASP  62   7.099  -9.513   5.419
  454    HB2  ASP  62           HB2      ASP  62   8.626  -9.235   3.292
  455    HB3  ASP  62           HB1      ASP  62   7.480  -7.978   2.851
  456    H    VAL  63           HN       VAL  63   4.981  -9.140   2.690
  457    HA   VAL  63           HA       VAL  63   3.539  -6.838   3.233
  458    HB   VAL  63           HB       VAL  63   2.428  -9.501   2.268
  459   HG11  VAL  63          HG11      VAL  63   0.640  -8.188   1.243
  460   HG12  VAL  63          HG12      VAL  63   1.291  -6.728   1.987
  461   HG13  VAL  63          HG13      VAL  63   0.648  -8.021   2.997
  462   HG21  VAL  63          HG21      VAL  63   3.440  -7.131   0.711
  463   HG22  VAL  63          HG22      VAL  63   2.690  -8.569   0.022
  464   HG23  VAL  63          HG23      VAL  63   4.237  -8.694   0.861
  465    H    LYS  64           HN       LYS  64   3.080 -10.068   4.545
  466    HA   LYS  64           HA       LYS  64   0.736  -9.534   6.066
  467    HB2  LYS  64           HB2      LYS  64   2.755 -11.752   6.383
  468    HB3  LYS  64           HB1      LYS  64   1.165 -11.706   7.116
  469    HG2  LYS  64           HG2      LYS  64   0.144 -11.781   4.886
  470    HG3  LYS  64           HG1      LYS  64   1.760 -11.854   4.165
  471    HD2  LYS  64           HD2      LYS  64   2.211 -13.937   5.341
  472    HD3  LYS  64           HD1      LYS  64   0.641 -13.850   6.133
  473    HE2  LYS  64           HE2      LYS  64   0.535 -15.421   4.313
  474    HE3  LYS  64           HE1      LYS  64  -0.441 -14.010   3.919
  475    HZ1  LYS  64           HZ1      LYS  64   2.306 -14.562   2.863
  476    HZ2  LYS  64           HZ2      LYS  64   1.318 -13.235   2.441
  477    HZ3  LYS  64           HZ3      LYS  64   0.851 -14.788   2.073
  478    H    ASN  65           HN       ASN  65   3.847  -8.438   6.615
  479    HA   ASN  65           HA       ASN  65   3.704  -8.762   9.507
  480    HB2  ASN  65           HB2      ASN  65   5.853  -9.191   8.192
  481    HB3  ASN  65           HB1      ASN  65   5.932  -7.452   7.942
  482   HD21  ASN  65          HD21      ASN  65   4.877  -9.157  10.879
  483   HD22  ASN  65          HD22      ASN  65   6.151  -8.549  11.873
  484    H    LEU  66           HN       LEU  66   2.701  -6.533   7.162
  485    HA   LEU  66           HA       LEU  66   3.025  -4.307   9.036
  486    HB2  LEU  66           HB2      LEU  66   2.213  -4.289   6.123
  487    HB3  LEU  66           HB1      LEU  66   2.448  -2.871   7.125
  488    HG   LEU  66           HG       LEU  66   4.597  -4.820   6.280
  489   HD11  LEU  66          HD11      LEU  66   4.016  -1.999   5.454
  490   HD12  LEU  66          HD12      LEU  66   3.845  -3.448   4.452
  491   HD13  LEU  66          HD13      LEU  66   5.446  -2.919   4.983
  492   HD21  LEU  66          HD21      LEU  66   5.036  -3.860   8.508
  493   HD22  LEU  66          HD22      LEU  66   4.849  -2.240   7.830
  494   HD23  LEU  66          HD23      LEU  66   6.174  -3.270   7.299
  495    H    LYS  67           HN       LYS  67   0.851  -2.718   8.532
  496    HA   LYS  67           HA       LYS  67  -1.462  -4.434   8.576
  497    HB2  LYS  67           HB2      LYS  67  -2.277  -3.744  10.781
  498    HB3  LYS  67           HB1      LYS  67  -0.735  -4.566  10.902
  499    HG2  LYS  67           HG2      LYS  67   0.265  -2.195  10.965
  500    HG3  LYS  67           HG1      LYS  67  -1.384  -1.677  11.319
  501    HD2  LYS  67           HD2      LYS  67  -0.369  -1.976  13.424
  502    HD3  LYS  67           HD1      LYS  67  -1.353  -3.426  13.182
  503    HE2  LYS  67           HE2      LYS  67   0.730  -4.194  13.992
  504    HE3  LYS  67           HE1      LYS  67   0.727  -4.525  12.261
  505    HZ1  LYS  67           HZ1      LYS  67   2.838  -3.585  12.751
  506    HZ2  LYS  67           HZ2      LYS  67   2.152  -2.425  13.738
  507    HZ3  LYS  67           HZ3      LYS  67   1.999  -2.265  12.084
  508    H    THR  68           HN       THR  68  -0.499  -1.002   9.149
  509    HA   THR  68           HA       THR  68  -2.909  -0.312   7.614
  510    HB   THR  68           HB       THR  68  -2.735   1.930   8.631
  511    HG1  THR  68           HG1      THR  68  -0.527   0.765  10.015
  512   HG21  THR  68          HG21      THR  68  -4.170   0.277   9.704
  513   HG22  THR  68          HG22      THR  68  -3.423   1.317  10.923
  514   HG23  THR  68          HG23      THR  68  -2.804  -0.313  10.647
  515    H    VAL  69           HN       VAL  69  -2.458   2.037   6.665
  516    HA   VAL  69           HA       VAL  69  -0.259   1.777   4.877
  517    HB   VAL  69           HB       VAL  69  -0.927   3.970   3.937
  518   HG11  VAL  69          HG11      VAL  69  -3.290   2.175   4.444
  519   HG12  VAL  69          HG12      VAL  69  -2.107   2.005   3.148
  520   HG13  VAL  69          HG13      VAL  69  -3.180   3.404   3.182
  521   HG21  VAL  69          HG21      VAL  69  -2.888   5.150   4.803
  522   HG22  VAL  69          HG22      VAL  69  -1.584   5.097   5.990
  523   HG23  VAL  69          HG23      VAL  69  -2.971   4.014   6.140
  524    H    GLY  70           HN       GLY  70  -0.632   2.968   8.011
  525    HA2  GLY  70           HA2      GLY  70   1.405   4.952   8.001
  526    HA3  GLY  70           HA1      GLY  70   0.736   4.128   9.411
  527    H    ASP  71           HN       ASP  71   1.249   1.506   8.453
  528    HA   ASP  71           HA       ASP  71   4.010   1.191   9.251
  529    HB2  ASP  71           HB2      ASP  71   2.139  -0.908   8.119
  530    HB3  ASP  71           HB1      ASP  71   3.610  -1.195   9.028
  531    H    ALA  72           HN       ALA  72   2.052   0.911   6.391
  532    HA   ALA  72           HA       ALA  72   3.878  -0.363   4.690
  533    HB1  ALA  72           HB1      ALA  72   1.476  -0.263   4.234
  534    HB2  ALA  72           HB2      ALA  72   2.414   0.354   2.873
  535    HB3  ALA  72           HB3      ALA  72   1.601   1.474   3.964
  536    H    THR  73           HN       THR  73   3.096   3.036   5.164
  537    HA   THR  73           HA       THR  73   4.697   4.114   3.228
  538    HB   THR  73           HB       THR  73   4.798   6.114   4.860
  539    HG1  THR  73           HG1      THR  73   2.694   4.749   6.113
  540   HG21  THR  73          HG21      THR  73   2.156   5.005   3.955
  541   HG22  THR  73          HG22      THR  73   3.281   5.917   2.956
  542   HG23  THR  73          HG23      THR  73   2.495   6.691   4.337
  543    H    LYS  74           HN       LYS  74   5.504   3.328   6.576
  544    HA   LYS  74           HA       LYS  74   8.110   4.365   6.626
  545    HB2  LYS  74           HB2      LYS  74   7.141   1.912   8.106
  546    HB3  LYS  74           HB1      LYS  74   8.540   2.890   8.506
  547    HG2  LYS  74           HG2      LYS  74   5.652   3.686   8.708
  548    HG3  LYS  74           HG1      LYS  74   6.766   3.359  10.032
  549    HD2  LYS  74           HD2      LYS  74   8.140   5.290   9.256
  550    HD3  LYS  74           HD1      LYS  74   6.876   5.656   8.077
  551    HE2  LYS  74           HE2      LYS  74   6.669   5.683  11.085
  552    HE3  LYS  74           HE1      LYS  74   6.502   7.049   9.978
  553    HZ1  LYS  74           HZ1      LYS  74   4.665   4.760  10.319
  554    HZ2  LYS  74           HZ2      LYS  74   4.484   5.863   9.078
  555    HZ3  LYS  74           HZ3      LYS  74   4.318   6.353  10.700
  556    H    TYR  75           HN       TYR  75   6.931   1.125   5.831
  557    HA   TYR  75           HA       TYR  75   9.460  -0.030   5.360
  558    HB2  TYR  75           HB2      TYR  75   7.505  -1.413   5.833
  559    HB3  TYR  75           HB1      TYR  75   6.736  -0.860   4.347
  560    HD1  TYR  75           HD1      TYR  75   9.512  -2.859   5.711
  561    HD2  TYR  75           HD2      TYR  75   7.275  -1.867   2.237
  562    HE1  TYR  75           HE1      TYR  75  10.574  -4.715   4.492
  563    HE2  TYR  75           HE2      TYR  75   8.335  -3.704   1.014
  564    HH   TYR  75           HH       TYR  75  10.092  -6.101   2.660
  565    H    ILE  76           HN       ILE  76   7.119   1.461   3.215
  566    HA   ILE  76           HA       ILE  76   8.407   0.754   0.834
  567    HB   ILE  76           HB       ILE  76   6.459   2.991   1.425
  568   HG12  ILE  76          HG12      ILE  76   6.144   0.332   0.021
  569   HG13  ILE  76          HG11      ILE  76   5.720   0.637   1.699
  570   HG21  ILE  76          HG21      ILE  76   7.463   2.005  -1.258
  571   HG22  ILE  76          HG22      ILE  76   7.807   3.583  -0.552
  572   HG23  ILE  76          HG23      ILE  76   6.157   3.163  -1.011
  573   HD11  ILE  76          HD11      ILE  76   3.779   0.679   0.264
  574   HD12  ILE  76          HD12      ILE  76   4.521   1.985  -0.687
  575   HD13  ILE  76          HD13      ILE  76   4.097   2.252   1.007
  576    H    LEU  77           HN       LEU  77   8.410   4.077   2.289
  577    HA   LEU  77           HA       LEU  77  10.527   4.826   0.697
  578    HB2  LEU  77           HB2      LEU  77  10.868   6.751   2.349
  579    HB3  LEU  77           HB1      LEU  77   9.348   6.650   1.506
  580    HG   LEU  77           HG       LEU  77   8.358   5.662   3.590
  581   HD11  LEU  77          HD11      LEU  77  10.954   6.536   4.817
  582   HD12  LEU  77          HD12      LEU  77  10.372   4.879   4.656
  583   HD13  LEU  77          HD13      LEU  77   9.510   6.020   5.688
  584   HD21  LEU  77          HD21      LEU  77   8.024   7.979   2.985
  585   HD22  LEU  77          HD22      LEU  77   9.536   8.422   3.779
  586   HD23  LEU  77          HD23      LEU  77   8.186   7.809   4.732
  587    H    ASP  78           HN       ASP  78  10.602   2.904   3.400
  588    HA   ASP  78           HA       ASP  78  13.381   3.147   4.109
  589    HB2  ASP  78           HB2      ASP  78  11.882   2.104   5.667
  590    HB3  ASP  78           HB1      ASP  78  11.358   0.936   4.470
  591    H    HIS  79           HN       HIS  79  11.574   1.107   1.894
  592    HA   HIS  79           HA       HIS  79  14.009  -0.288   1.053
  593    HB2  HIS  79           HB2      HIS  79  11.174  -0.987   1.171
  594    HB3  HIS  79           HB1      HIS  79  11.991  -1.525  -0.289
  595    HD1  HIS  79           HD1      HIS  79  12.979  -1.602   3.454
  596    HD2  HIS  79           HD2      HIS  79  12.871  -4.000   0.055
  597    HE1  HIS  79           HE1      HIS  79  13.860  -3.813   4.155
  598    HE2  HIS  79           HE2      HIS  79  14.240  -4.964   1.958
  599    H    GLN  80           HN       GLN  80  12.563   2.422   0.076
  600    HA   GLN  80           HA       GLN  80  12.274   2.054  -2.703
  601    HB2  GLN  80           HB2      GLN  80  12.722   4.541  -1.067
  602    HB3  GLN  80           HB1      GLN  80  12.572   4.588  -2.818
  603    HG2  GLN  80           HG2      GLN  80  10.367   3.603  -2.679
  604    HG3  GLN  80           HG1      GLN  80  10.516   3.484  -0.932
  605   HE21  GLN  80          HE21      GLN  80  11.755   6.121  -0.634
  606   HE22  GLN  80          HE22      GLN  80  10.500   7.258  -0.920
  607    H    ALA  81           HN       ALA  81  13.523   2.823  -4.388
  608    HA   ALA  81           HA       ALA  81  15.985   1.801  -4.725
  609    HB1  ALA  81           HB1      ALA  81  16.201   3.179  -6.702
  610    HB2  ALA  81           HB2      ALA  81  14.957   4.274  -6.099
  611    HB3  ALA  81           HB3      ALA  81  14.540   2.612  -6.521
  612    H28  SXO 101          H28B      SXO 101  -4.870 -11.793   4.248
  613   H28A  SXO 101          H28A      SXO 101  -5.259 -11.952   2.536
  614    H30  SXO 101          H30A      SXO 101  -4.748 -15.214   5.121
  615   H30A  SXO 101          H30C      SXO 101  -4.559 -13.495   5.560
  616   H30B  SXO 101          H30B      SXO 101  -6.170 -14.126   5.200
  617    H31  SXO 101          H31A      SXO 101  -5.662 -14.279   1.624
  618   H31A  SXO 101          H31B      SXO 101  -6.796 -14.624   2.934
  619   H31B  SXO 101          H31C      SXO 101  -5.396 -15.680   2.673
  620    H32  SXO 101          H32A      SXO 101  -2.852 -13.447   4.032
  621   HO33  SXO 101          H33A      SXO 101  -2.791 -15.252   2.095
  622   HN36  SXO 101          H36A      SXO 101  -2.827 -11.558   2.999
  623    H37  SXO 101          H37A      SXO 101  -1.598 -11.556   0.445
  624   H37A  SXO 101          H37B      SXO 101  -3.214 -10.831   0.379
  625    H38  SXO 101          H38B      SXO 101  -1.317  -9.241   0.717
  626   H38A  SXO 101          H38A      SXO 101  -0.993  -9.989   2.261
  627   HN41  SXO 101          H41A      SXO 101  -2.223  -9.451   3.987
  628    H42  SXO 101          H42A      SXO 101  -3.631  -7.026   3.973
  629   H42A  SXO 101          H42B      SXO 101  -4.740  -8.366   4.113
  630    H43  SXO 101          H43B      SXO 101  -4.127  -7.581   6.288
  631   H43A  SXO 101          H43A      SXO 101  -3.480  -9.213   5.971
  632    H2   SXO 101           H2A      SXO 101   0.110  -5.813   5.864
  633    H2A  SXO 101           H2B      SXO 101  -0.685  -4.251   6.049
  634    H3   SXO 101           H3B      SXO 101  -0.330  -5.767   3.460
  635    H3A  SXO 101           H3A      SXO 101  -1.053  -4.161   3.637
  636    H4   SXO 101           H4A      SXO 101   1.770  -4.882   4.422
  637    H4A  SXO 101           H4B      SXO 101   1.046  -3.283   4.491
  638    H5   SXO 101           H5B      SXO 101   2.532  -3.550   2.549
  639    H5A  SXO 101           H5A      SXO 101   1.504  -4.856   1.962
  640    H6   SXO 101           H6A      SXO 101   0.583  -2.024   2.443
  641    H6A  SXO 101           H6B      SXO 101  -0.357  -3.334   1.732
  642    H7   SXO 101           H7A      SXO 101   0.436  -1.874  -0.033
  643    H7A  SXO 101           H7B      SXO 101   1.268  -3.435  -0.145
  644    H8   SXO 101           H8C      SXO 101   2.354  -0.933   1.148
  645    H8A  SXO 101           H8A      SXO 101   2.820  -1.561  -0.434
  646    H8B  SXO 101           H8B      SXO 101   3.189  -2.481   1.026
  Start of MODEL   19
    1    H1   ALA   1           HT1      ALA   1  12.939  11.372  -2.141
    2    H2   ALA   1           HT2      ALA   1  12.793  12.197  -3.607
    3    H3   ALA   1           HT3      ALA   1  13.963  10.961  -3.420
    4    HA   ALA   1           HA       ALA   1  11.999  10.194  -4.647
    5    HB1  ALA   1           HB1      ALA   1  12.316   9.042  -1.862
    6    HB2  ALA   1           HB2      ALA   1  13.274   8.606  -3.277
    7    HB3  ALA   1           HB3      ALA   1  11.552   8.227  -3.226
    8    H    ALA   2           HN       ALA   2   9.744   9.120  -3.696
    9    HA   ALA   2           HA       ALA   2   8.092  11.373  -3.018
   10    HB1  ALA   2           HB1      ALA   2   6.259   9.730  -3.148
   11    HB2  ALA   2           HB2      ALA   2   7.440   8.428  -3.292
   12    HB3  ALA   2           HB3      ALA   2   7.302   9.637  -4.569
   13    H    THR   3           HN       THR   3   7.372  11.875  -0.983
   14    HA   THR   3           HA       THR   3   8.425  10.104   1.064
   15    HB   THR   3           HB       THR   3   7.269  12.760   1.907
   16    HG1  THR   3           HG1      THR   3   8.496  13.550   0.229
   17   HG21  THR   3          HG21      THR   3   9.201  12.705   3.413
   18   HG22  THR   3          HG22      THR   3   9.821  11.287   2.567
   19   HG23  THR   3          HG23      THR   3   8.354  11.157   3.520
   20    H    GLN   4           HN       GLN   4   6.628  10.860   3.262
   21    HA   GLN   4           HA       GLN   4   5.162   8.547   3.078
   22    HB2  GLN   4           HB2      GLN   4   5.885   9.636   5.170
   23    HB3  GLN   4           HB1      GLN   4   4.635  10.853   4.939
   24    HG2  GLN   4           HG2      GLN   4   2.920   9.166   5.082
   25    HG3  GLN   4           HG1      GLN   4   4.138   7.906   5.219
   26   HE21  GLN   4          HE21      GLN   4   4.414  11.011   6.842
   27   HE22  GLN   4          HE22      GLN   4   4.137  10.400   8.422
   28    H    GLU   5           HN       GLU   5   3.924  11.870   2.754
   29    HA   GLU   5           HA       GLU   5   1.252  11.126   2.396
   30    HB2  GLU   5           HB2      GLU   5   0.913  13.358   1.408
   31    HB3  GLU   5           HB1      GLU   5   1.818  13.423   2.907
   32    HG2  GLU   5           HG2      GLU   5   3.871  13.788   1.706
   33    HG3  GLU   5           HG1      GLU   5   3.048  13.558   0.161
   34    H    GLU   6           HN       GLU   6   3.855  11.462   0.110
   35    HA   GLU   6           HA       GLU   6   2.238  11.197  -2.222
   36    HB2  GLU   6           HB2      GLU   6   5.199  10.807  -1.850
   37    HB3  GLU   6           HB1      GLU   6   4.368  10.981  -3.389
   38    HG2  GLU   6           HG2      GLU   6   3.744  13.231  -2.855
   39    HG3  GLU   6           HG1      GLU   6   4.425  13.069  -1.233
   40    H    ILE   7           HN       ILE   7   4.050   9.054  -0.140
   41    HA   ILE   7           HA       ILE   7   3.946   6.780  -1.673
   42    HB   ILE   7           HB       ILE   7   3.910   7.051   1.351
   43   HG12  ILE   7          HG12      ILE   7   5.943   7.889   0.313
   44   HG13  ILE   7          HG11      ILE   7   6.290   6.394   1.171
   45   HG21  ILE   7          HG21      ILE   7   2.961   4.881   0.794
   46   HG22  ILE   7          HG22      ILE   7   4.572   4.687   1.488
   47   HG23  ILE   7          HG23      ILE   7   4.337   4.530  -0.254
   48   HD11  ILE   7          HD11      ILE   7   6.283   5.179  -0.961
   49   HD12  ILE   7          HD12      ILE   7   7.459   6.483  -0.977
   50   HD13  ILE   7          HD13      ILE   7   5.925   6.676  -1.813
   51    H    VAL   8           HN       VAL   8   1.846   7.800   1.020
   52    HA   VAL   8           HA       VAL   8  -0.203   5.924   0.882
   53    HB   VAL   8           HB       VAL   8  -0.383   8.849   1.691
   54   HG11  VAL   8          HG11      VAL   8  -2.316   8.166   3.022
   55   HG12  VAL   8          HG12      VAL   8  -2.190   6.534   2.367
   56   HG13  VAL   8          HG13      VAL   8  -2.592   7.884   1.303
   57   HG21  VAL   8          HG21      VAL   8   0.092   6.374   3.319
   58   HG22  VAL   8          HG22      VAL   8  -0.107   8.006   3.954
   59   HG23  VAL   8          HG23      VAL   8   1.289   7.614   2.940
   60    H    ALA   9           HN       ALA   9  -0.121   9.169  -0.608
   61    HA   ALA   9           HA       ALA   9  -2.555   9.075  -1.954
   62    HB1  ALA   9           HB1      ALA   9  -1.241  11.114  -1.663
   63    HB2  ALA   9           HB2      ALA   9  -1.656  10.854  -3.362
   64    HB3  ALA   9           HB3      ALA   9  -0.029  10.481  -2.778
   65    H    GLY  10           HN       GLY  10   0.639   7.944  -2.937
   66    HA2  GLY  10           HA2      GLY  10  -0.039   7.347  -5.618
   67    HA3  GLY  10           HA1      GLY  10   1.353   6.726  -4.732
   68    H    LEU  11           HN       LEU  11   0.071   5.476  -2.635
   69    HA   LEU  11           HA       LEU  11  -0.541   2.938  -3.598
   70    HB2  LEU  11           HB2      LEU  11  -1.352   4.258  -1.010
   71    HB3  LEU  11           HB1      LEU  11  -1.558   2.554  -1.344
   72    HG   LEU  11           HG       LEU  11   1.090   3.985  -1.220
   73   HD11  LEU  11          HD11      LEU  11   1.377   2.803   0.922
   74   HD12  LEU  11          HD12      LEU  11  -0.270   2.181   0.790
   75   HD13  LEU  11          HD13      LEU  11   0.006   3.912   0.972
   76   HD21  LEU  11          HD21      LEU  11   2.029   1.718  -1.182
   77   HD22  LEU  11          HD22      LEU  11   1.123   2.021  -2.665
   78   HD23  LEU  11          HD23      LEU  11   0.409   1.048  -1.379
   79    H    ALA  12           HN       ALA  12  -2.632   5.526  -2.502
   80    HA   ALA  12           HA       ALA  12  -5.094   4.274  -2.771
   81    HB1  ALA  12           HB1      ALA  12  -6.066   6.441  -2.745
   82    HB2  ALA  12           HB2      ALA  12  -4.508   7.194  -3.112
   83    HB3  ALA  12           HB3      ALA  12  -4.755   6.347  -1.571
   84    H    GLU  13           HN       GLU  13  -3.086   5.692  -5.250
   85    HA   GLU  13           HA       GLU  13  -5.166   5.899  -7.160
   86    HB2  GLU  13           HB2      GLU  13  -2.179   5.784  -7.508
   87    HB3  GLU  13           HB1      GLU  13  -3.310   6.055  -8.833
   88    HG2  GLU  13           HG2      GLU  13  -4.162   8.036  -7.704
   89    HG3  GLU  13           HG1      GLU  13  -3.015   7.775  -6.396
   90    H    ILE  14           HN       ILE  14  -2.920   3.320  -6.370
   91    HA   ILE  14           HA       ILE  14  -4.134   1.738  -8.443
   92    HB   ILE  14           HB       ILE  14  -2.161   0.732  -6.331
   93   HG12  ILE  14          HG12      ILE  14  -0.593   0.573  -8.394
   94   HG13  ILE  14          HG11      ILE  14  -1.709   1.690  -9.163
   95   HG21  ILE  14          HG21      ILE  14  -3.147  -0.569  -8.858
   96   HG22  ILE  14          HG22      ILE  14  -3.557  -1.012  -7.196
   97   HG23  ILE  14          HG23      ILE  14  -1.900  -1.225  -7.778
   98   HD11  ILE  14          HD11      ILE  14  -1.242   3.331  -7.400
   99   HD12  ILE  14          HD12      ILE  14   0.212   2.845  -8.276
  100   HD13  ILE  14          HD13      ILE  14  -0.106   2.191  -6.671
  101    H    VAL  15           HN       VAL  15  -4.520   2.267  -5.041
  102    HA   VAL  15           HA       VAL  15  -6.222   0.039  -4.640
  103    HB   VAL  15           HB       VAL  15  -6.217   2.641  -3.058
  104   HG11  VAL  15          HG11      VAL  15  -7.237   1.317  -1.244
  105   HG12  VAL  15          HG12      VAL  15  -7.288  -0.090  -2.311
  106   HG13  VAL  15          HG13      VAL  15  -8.259   1.331  -2.683
  107   HG21  VAL  15          HG21      VAL  15  -4.780   0.049  -2.503
  108   HG22  VAL  15          HG22      VAL  15  -4.831   1.447  -1.428
  109   HG23  VAL  15          HG23      VAL  15  -4.040   1.570  -2.999
  110    H    ASN  16           HN       ASN  16  -6.699   3.198  -5.950
  111    HA   ASN  16           HA       ASN  16  -9.540   3.135  -6.159
  112    HB2  ASN  16           HB2      ASN  16  -8.399   5.270  -6.347
  113    HB3  ASN  16           HB1      ASN  16  -7.430   4.685  -7.695
  114   HD21  ASN  16          HD21      ASN  16 -10.546   5.844  -6.701
  115   HD22  ASN  16          HD22      ASN  16 -11.184   6.046  -8.300
  116    H    GLU  17           HN       GLU  17  -6.913   1.938  -8.066
  117    HA   GLU  17           HA       GLU  17  -8.330   1.280 -10.428
  118    HB2  GLU  17           HB2      GLU  17  -5.841   1.476 -10.169
  119    HB3  GLU  17           HB1      GLU  17  -5.863   0.007  -9.215
  120    HG2  GLU  17           HG2      GLU  17  -5.137  -0.534 -11.396
  121    HG3  GLU  17           HG1      GLU  17  -6.770  -1.174 -11.199
  122    H    ILE  18           HN       ILE  18  -7.597  -0.334  -7.427
  123    HA   ILE  18           HA       ILE  18  -8.749  -2.865  -8.165
  124    HB   ILE  18           HB       ILE  18  -7.685  -1.854  -5.517
  125   HG12  ILE  18          HG12      ILE  18  -5.940  -1.915  -7.192
  126   HG13  ILE  18          HG11      ILE  18  -5.698  -3.237  -6.057
  127   HG21  ILE  18          HG21      ILE  18  -9.219  -3.689  -5.139
  128   HG22  ILE  18          HG22      ILE  18  -7.559  -4.205  -4.837
  129   HG23  ILE  18          HG23      ILE  18  -8.370  -4.673  -6.332
  130   HD11  ILE  18          HD11      ILE  18  -6.894  -3.453  -8.813
  131   HD12  ILE  18          HD12      ILE  18  -6.664  -4.790  -7.687
  132   HD13  ILE  18          HD13      ILE  18  -5.263  -3.936  -8.341
  133    H    ALA  19           HN       ALA  19  -9.613  -0.316  -5.758
  134    HA   ALA  19           HA       ALA  19 -12.227  -1.655  -5.440
  135    HB1  ALA  19           HB1      ALA  19 -10.735  -0.029  -3.412
  136    HB2  ALA  19           HB2      ALA  19 -10.777  -1.789  -3.495
  137    HB3  ALA  19           HB3      ALA  19 -12.261  -0.886  -3.170
  138    H    GLY  20           HN       GLY  20 -10.945   1.079  -6.763
  139    HA2  GLY  20           HA2      GLY  20 -11.922   2.990  -7.564
  140    HA3  GLY  20           HA1      GLY  20 -13.461   2.284  -7.123
  141    H    ILE  21           HN       ILE  21 -11.016   2.925  -4.698
  142    HA   ILE  21           HA       ILE  21 -12.863   4.740  -3.435
  143    HB   ILE  21           HB       ILE  21 -10.968   5.040  -1.718
  144   HG12  ILE  21          HG12      ILE  21  -9.513   2.945  -1.521
  145   HG13  ILE  21          HG11      ILE  21  -9.912   2.642  -3.203
  146   HG21  ILE  21          HG21      ILE  21 -12.458   2.464  -1.938
  147   HG22  ILE  21          HG22      ILE  21 -12.915   3.971  -1.116
  148   HG23  ILE  21          HG23      ILE  21 -11.573   3.014  -0.508
  149   HD11  ILE  21          HD11      ILE  21  -8.482   5.066  -2.126
  150   HD12  ILE  21          HD12      ILE  21  -8.886   4.778  -3.819
  151   HD13  ILE  21          HD13      ILE  21  -7.749   3.714  -2.991
  152    HA   PRO  22           HA       PRO  22 -11.063   8.510  -4.784
  153    HB2  PRO  22           HB2      PRO  22 -11.627  10.102  -2.631
  154    HB3  PRO  22           HB1      PRO  22 -12.833   9.657  -3.843
  155    HG2  PRO  22           HG2      PRO  22 -12.383   8.538  -1.118
  156    HG3  PRO  22           HG1      PRO  22 -13.903   8.833  -1.975
  157    HD2  PRO  22           HD2      PRO  22 -12.753   6.375  -1.741
  158    HD3  PRO  22           HD1      PRO  22 -13.800   6.843  -3.095
  159    H    VAL  23           HN       VAL  23  -9.149   9.615  -4.514
  160    HA   VAL  23           HA       VAL  23  -7.259   8.277  -2.788
  161    HB   VAL  23           HB       VAL  23  -5.493   9.566  -3.906
  162   HG11  VAL  23          HG11      VAL  23  -5.810   8.639  -6.159
  163   HG12  VAL  23          HG12      VAL  23  -7.518   8.367  -5.779
  164   HG13  VAL  23          HG13      VAL  23  -6.272   7.499  -4.891
  165   HG21  VAL  23          HG21      VAL  23  -7.760  10.889  -5.416
  166   HG22  VAL  23          HG22      VAL  23  -6.040  11.079  -5.767
  167   HG23  VAL  23          HG23      VAL  23  -6.699  11.675  -4.244
  168    H    GLU  24           HN       GLU  24  -9.306  10.478  -2.039
  169    HA   GLU  24           HA       GLU  24  -7.526  12.164  -0.420
  170    HB2  GLU  24           HB2      GLU  24 -10.521  12.292  -0.549
  171    HB3  GLU  24           HB1      GLU  24  -9.403  13.536  -0.031
  172    HG2  GLU  24           HG2      GLU  24  -8.657  13.829  -2.330
  173    HG3  GLU  24           HG1      GLU  24  -9.775  12.559  -2.848
  174    H    ASP  25           HN       ASP  25  -9.493   9.387  -0.333
  175    HA   ASP  25           HA       ASP  25 -10.386   9.595   2.392
  176    HB2  ASP  25           HB2      ASP  25 -11.616   8.232   0.595
  177    HB3  ASP  25           HB1      ASP  25 -10.266   7.120   0.667
  178    H    VAL  26           HN       VAL  26  -7.946   7.880   0.616
  179    HA   VAL  26           HA       VAL  26  -6.953   6.377   2.808
  180    HB   VAL  26           HB       VAL  26  -5.601   6.971   0.162
  181   HG11  VAL  26          HG11      VAL  26  -5.173   4.737   2.154
  182   HG12  VAL  26          HG12      VAL  26  -4.070   6.080   1.849
  183   HG13  VAL  26          HG13      VAL  26  -4.375   4.889   0.587
  184   HG21  VAL  26          HG21      VAL  26  -6.543   4.834  -0.579
  185   HG22  VAL  26          HG22      VAL  26  -7.806   5.998  -0.178
  186   HG23  VAL  26          HG23      VAL  26  -7.417   4.696   0.947
  187    H    LYS  27           HN       LYS  27  -6.521   7.684   4.387
  188    HA   LYS  27           HA       LYS  27  -4.100   9.379   4.262
  189    HB2  LYS  27           HB2      LYS  27  -6.311   9.140   6.330
  190    HB3  LYS  27           HB1      LYS  27  -4.872  10.130   6.512
  191    HG2  LYS  27           HG2      LYS  27  -6.967  10.489   4.374
  192    HG3  LYS  27           HG1      LYS  27  -6.828  11.451   5.845
  193    HD2  LYS  27           HD2      LYS  27  -4.599  12.188   5.167
  194    HD3  LYS  27           HD1      LYS  27  -4.714  11.207   3.707
  195    HE2  LYS  27           HE2      LYS  27  -6.587  12.551   2.938
  196    HE3  LYS  27           HE1      LYS  27  -6.528  13.506   4.421
  197    HZ1  LYS  27           HZ1      LYS  27  -4.360  13.334   2.392
  198    HZ2  LYS  27           HZ2      LYS  27  -4.300  14.218   3.818
  199    HZ3  LYS  27           HZ3      LYS  27  -5.411  14.645   2.620
  200    H    LEU  28           HN       LEU  28  -3.459   9.037   6.981
  201    HA   LEU  28           HA       LEU  28  -1.903   6.667   6.620
  202    HB2  LEU  28           HB2      LEU  28  -2.064   8.656   8.863
  203    HB3  LEU  28           HB1      LEU  28  -0.885   7.355   8.766
  204    HG   LEU  28           HG       LEU  28  -1.160   9.482   6.652
  205   HD11  LEU  28          HD11      LEU  28   0.757   9.342   8.967
  206   HD12  LEU  28          HD12      LEU  28  -0.561  10.507   8.727
  207   HD13  LEU  28          HD13      LEU  28   0.805  10.487   7.612
  208   HD21  LEU  28          HD21      LEU  28  -0.148   7.410   5.911
  209   HD22  LEU  28          HD22      LEU  28   0.986   7.464   7.262
  210   HD23  LEU  28          HD23      LEU  28   1.056   8.695   6.001
  211    H    ASP  29           HN       ASP  29  -4.661   7.533   8.525
  212    HA   ASP  29           HA       ASP  29  -4.535   5.010   9.957
  213    HB2  ASP  29           HB2      ASP  29  -6.605   7.212  10.131
  214    HB3  ASP  29           HB1      ASP  29  -6.621   5.747  11.105
  215    H    LYS  30           HN       LYS  30  -4.552   4.175   7.730
  216    HA   LYS  30           HA       LYS  30  -7.226   3.148   7.167
  217    HB2  LYS  30           HB2      LYS  30  -5.236   4.118   5.094
  218    HB3  LYS  30           HB1      LYS  30  -6.700   3.216   4.733
  219    HG2  LYS  30           HG2      LYS  30  -6.690   5.841   6.156
  220    HG3  LYS  30           HG1      LYS  30  -6.824   5.705   4.400
  221    HD2  LYS  30           HD2      LYS  30  -8.901   4.519   4.585
  222    HD3  LYS  30           HD1      LYS  30  -8.711   4.351   6.332
  223    HE2  LYS  30           HE2      LYS  30  -9.051   6.656   6.689
  224    HE3  LYS  30           HE1      LYS  30  -8.858   7.020   4.978
  225    HZ1  LYS  30           HZ1      LYS  30 -11.155   7.092   5.779
  226    HZ2  LYS  30           HZ2      LYS  30 -11.125   5.417   6.062
  227    HZ3  LYS  30           HZ3      LYS  30 -10.901   6.050   4.488
  228    H    SER  31           HN       SER  31  -7.091   1.062   6.078
  229    HA   SER  31           HA       SER  31  -4.568  -0.286   6.312
  230    HB2  SER  31           HB2      SER  31  -5.835  -2.118   7.528
  231    HB3  SER  31           HB1      SER  31  -5.490  -0.653   8.457
  232    HG   SER  31           HG       SER  31  -7.540  -0.789   8.833
  233    H    PHE  32           HN       PHE  32  -4.987  -2.611   5.347
  234    HA   PHE  32           HA       PHE  32  -6.161  -1.973   2.753
  235    HB2  PHE  32           HB2      PHE  32  -4.273  -4.129   3.678
  236    HB3  PHE  32           HB1      PHE  32  -4.805  -3.880   2.015
  237    HD1  PHE  32           HD2      PHE  32  -4.062  -1.920   0.745
  238    HD2  PHE  32           HD1      PHE  32  -2.671  -2.659   4.701
  239    HE1  PHE  32           HE2      PHE  32  -2.229  -0.318   0.399
  240    HE2  PHE  32           HE1      PHE  32  -0.836  -1.061   4.359
  241    HZ   PHE  32           HZ       PHE  32  -0.670   0.172   2.206
  242    H    THR  33           HN       THR  33  -7.723  -2.852   5.133
  243    HA   THR  33           HA       THR  33  -9.594  -4.120   3.560
  244    HB   THR  33           HB       THR  33  -8.627  -6.237   3.820
  245    HG1  THR  33           HG1      THR  33 -10.324  -6.308   6.063
  246   HG21  THR  33          HG21      THR  33  -8.139  -5.697   6.757
  247   HG22  THR  33          HG22      THR  33  -6.918  -5.747   5.483
  248   HG23  THR  33          HG23      THR  33  -7.783  -7.214   5.931
  249    H    ASP  34           HN       ASP  34  -8.755  -3.617   7.029
  250    HA   ASP  34           HA       ASP  34 -11.450  -3.419   7.810
  251    HB2  ASP  34           HB2      ASP  34  -9.716  -3.833   9.462
  252    HB3  ASP  34           HB1      ASP  34  -9.006  -2.254   9.145
  253    H    ASP  35           HN       ASP  35  -9.160  -0.804   7.052
  254    HA   ASP  35           HA       ASP  35 -11.425   1.051   7.145
  255    HB2  ASP  35           HB2      ASP  35  -8.473   1.513   7.219
  256    HB3  ASP  35           HB1      ASP  35  -9.546   2.814   6.714
  257    H    LEU  36           HN       LEU  36 -10.255  -0.805   4.790
  258    HA   LEU  36           HA       LEU  36 -10.917   1.262   2.834
  259    HB2  LEU  36           HB2      LEU  36  -8.697  -0.744   2.554
  260    HB3  LEU  36           HB1      LEU  36  -9.382   0.103   1.182
  261    HG   LEU  36           HG       LEU  36  -7.977   1.388   3.525
  262   HD11  LEU  36          HD11      LEU  36  -6.454   0.184   2.056
  263   HD12  LEU  36          HD12      LEU  36  -6.241   1.928   1.884
  264   HD13  LEU  36          HD13      LEU  36  -7.121   1.019   0.655
  265   HD21  LEU  36          HD21      LEU  36  -9.091   2.582   0.998
  266   HD22  LEU  36          HD22      LEU  36  -8.155   3.450   2.223
  267   HD23  LEU  36          HD23      LEU  36  -9.745   2.785   2.622
  268    H    ASP  37           HN       ASP  37 -11.364   0.352   0.670
  269    HA   ASP  37           HA       ASP  37 -13.705  -1.361   0.950
  270    HB2  ASP  37           HB2      ASP  37 -13.647   0.750  -0.440
  271    HB3  ASP  37           HB1      ASP  37 -12.554  -0.066  -1.543
  272    H    VAL  38           HN       VAL  38 -10.444  -1.745   0.272
  273    HA   VAL  38           HA       VAL  38 -10.678  -3.800  -1.656
  274    HB   VAL  38           HB       VAL  38  -8.219  -4.158  -1.125
  275   HG11  VAL  38          HG11      VAL  38  -9.125  -1.480  -2.138
  276   HG12  VAL  38          HG12      VAL  38  -8.988  -2.981  -3.061
  277   HG13  VAL  38          HG13      VAL  38  -7.536  -2.204  -2.423
  278   HG21  VAL  38          HG21      VAL  38  -8.126  -3.110   1.060
  279   HG22  VAL  38          HG22      VAL  38  -8.595  -1.562   0.362
  280   HG23  VAL  38          HG23      VAL  38  -7.040  -2.285  -0.059
  281    H    ASP  39           HN       ASP  39 -11.039  -5.741  -1.311
  282    HA   ASP  39           HA       ASP  39 -11.112  -6.924   1.275
  283    HB2  ASP  39           HB2      ASP  39 -11.185  -8.013  -1.529
  284    HB3  ASP  39           HB1      ASP  39 -11.369  -9.045  -0.105
  285    H    SER  40           HN       SER  40  -9.618  -8.723   1.842
  286    HA   SER  40           HA       SER  40  -6.990  -7.753   1.596
  287    HB2  SER  40           HB2      SER  40  -6.390  -9.745   2.921
  288    HB3  SER  40           HB1      SER  40  -7.799  -8.859   3.551
  289    H    LEU  41           HN       LEU  41  -8.572 -10.633   0.268
  290    HA   LEU  41           HA       LEU  41  -6.321 -11.534  -1.107
  291    HB2  LEU  41           HB2      LEU  41  -9.242 -12.081  -1.556
  292    HB3  LEU  41           HB1      LEU  41  -8.050 -12.713  -2.665
  293    HG   LEU  41           HG       LEU  41  -6.983 -13.895  -0.722
  294   HD11  LEU  41          HD11      LEU  41  -8.292 -14.269   1.287
  295   HD12  LEU  41          HD12      LEU  41  -9.490 -13.102   0.726
  296   HD13  LEU  41          HD13      LEU  41  -7.850 -12.572   1.102
  297   HD21  LEU  41          HD21      LEU  41  -9.838 -14.597  -1.354
  298   HD22  LEU  41          HD22      LEU  41  -8.636 -15.685  -0.655
  299   HD23  LEU  41          HD23      LEU  41  -8.413 -15.054  -2.286
  300    H    SER  42           HN       SER  42  -8.503  -9.008  -1.795
  301    HA   SER  42           HA       SER  42  -7.935  -8.739  -4.594
  302    HB2  SER  42           HB2      SER  42  -9.224  -6.895  -2.611
  303    HB3  SER  42           HB1      SER  42  -9.332  -6.729  -4.377
  304    HG   SER  42           HG       SER  42 -10.101  -9.186  -3.837
  305    H    MET  43           HN       MET  43  -6.818  -7.369  -1.527
  306    HA   MET  43           HA       MET  43  -5.370  -5.144  -2.457
  307    HB2  MET  43           HB2      MET  43  -6.047  -5.641  -0.086
  308    HB3  MET  43           HB1      MET  43  -4.791  -6.861  -0.036
  309    HG2  MET  43           HG2      MET  43  -4.254  -3.962  -0.598
  310    HG3  MET  43           HG1      MET  43  -4.294  -4.626   1.024
  311    HE1  MET  43           HE1      MET  43  -1.185  -7.078   0.892
  312    HE2  MET  43           HE2      MET  43  -2.871  -7.489   0.561
  313    HE3  MET  43           HE3      MET  43  -2.454  -6.425   1.906
  314    H    VAL  44           HN       VAL  44  -4.658  -8.489  -2.446
  315    HA   VAL  44           HA       VAL  44  -1.894  -8.429  -2.683
  316    HB   VAL  44           HB       VAL  44  -3.724 -10.407  -4.080
  317   HG11  VAL  44          HG11      VAL  44  -0.885 -10.716  -3.108
  318   HG12  VAL  44          HG12      VAL  44  -1.397 -10.595  -4.789
  319   HG13  VAL  44          HG13      VAL  44  -1.875 -11.990  -3.822
  320   HG21  VAL  44          HG21      VAL  44  -4.344 -10.216  -1.748
  321   HG22  VAL  44          HG22      VAL  44  -2.670 -10.440  -1.250
  322   HG23  VAL  44          HG23      VAL  44  -3.546 -11.760  -2.033
  323    H    GLU  45           HN       GLU  45  -4.277  -7.465  -5.010
  324    HA   GLU  45           HA       GLU  45  -2.451  -7.515  -7.223
  325    HB2  GLU  45           HB2      GLU  45  -5.206  -6.313  -6.977
  326    HB3  GLU  45           HB1      GLU  45  -4.281  -6.404  -8.469
  327    HG2  GLU  45           HG2      GLU  45  -5.236  -8.745  -6.841
  328    HG3  GLU  45           HG1      GLU  45  -5.955  -8.162  -8.341
  329    H    VAL  46           HN       VAL  46  -3.431  -5.151  -4.797
  330    HA   VAL  46           HA       VAL  46  -2.225  -3.039  -6.324
  331    HB   VAL  46           HB       VAL  46  -4.194  -2.408  -5.018
  332   HG11  VAL  46          HG11      VAL  46  -4.209  -2.292  -2.599
  333   HG12  VAL  46          HG12      VAL  46  -2.639  -3.101  -2.559
  334   HG13  VAL  46          HG13      VAL  46  -4.053  -3.947  -3.193
  335   HG21  VAL  46          HG21      VAL  46  -1.713  -1.111  -3.901
  336   HG22  VAL  46          HG22      VAL  46  -3.340  -0.443  -3.814
  337   HG23  VAL  46          HG23      VAL  46  -2.557  -0.653  -5.380
  338    H    VAL  47           HN       VAL  47  -1.396  -5.055  -3.582
  339    HA   VAL  47           HA       VAL  47   0.885  -3.608  -2.838
  340    HB   VAL  47           HB       VAL  47  -0.082  -5.322  -1.359
  341   HG11  VAL  47          HG11      VAL  47   1.040  -7.362  -3.253
  342   HG12  VAL  47          HG12      VAL  47  -0.665  -7.040  -2.937
  343   HG13  VAL  47          HG13      VAL  47   0.361  -7.699  -1.661
  344   HG21  VAL  47          HG21      VAL  47   1.993  -6.332  -0.541
  345   HG22  VAL  47          HG22      VAL  47   2.186  -4.625  -0.938
  346   HG23  VAL  47          HG23      VAL  47   2.798  -5.862  -2.037
  347    H    VAL  48           HN       VAL  48   0.555  -6.195  -5.220
  348    HA   VAL  48           HA       VAL  48   3.329  -6.353  -5.776
  349    HB   VAL  48           HB       VAL  48   1.706  -8.183  -6.283
  350   HG11  VAL  48          HG11      VAL  48  -0.146  -6.941  -7.151
  351   HG12  VAL  48          HG12      VAL  48   0.377  -8.140  -8.335
  352   HG13  VAL  48          HG13      VAL  48   0.801  -6.443  -8.553
  353   HG21  VAL  48          HG21      VAL  48   2.675  -8.881  -8.436
  354   HG22  VAL  48          HG22      VAL  48   3.888  -8.254  -7.319
  355   HG23  VAL  48          HG23      VAL  48   3.319  -7.252  -8.652
  356    H    ALA  49           HN       ALA  49   0.796  -4.288  -6.899
  357    HA   ALA  49           HA       ALA  49   2.244  -3.305  -9.184
  358    HB1  ALA  49           HB1      ALA  49   0.392  -1.733  -9.419
  359    HB2  ALA  49           HB2      ALA  49  -0.236  -2.227  -7.847
  360    HB3  ALA  49           HB3      ALA  49  -0.204  -3.376  -9.186
  361    H    ALA  50           HN       ALA  50   1.805  -2.439  -5.856
  362    HA   ALA  50           HA       ALA  50   2.696   0.207  -6.011
  363    HB1  ALA  50           HB1      ALA  50   1.467  -0.696  -4.089
  364    HB2  ALA  50           HB2      ALA  50   2.969   0.083  -3.594
  365    HB3  ALA  50           HB3      ALA  50   2.868  -1.679  -3.661
  366    H    GLU  51           HN       GLU  51   4.418  -2.807  -5.858
  367    HA   GLU  51           HA       GLU  51   6.923  -1.947  -5.009
  368    HB2  GLU  51           HB2      GLU  51   6.328  -4.057  -7.081
  369    HB3  GLU  51           HB1      GLU  51   7.861  -3.847  -6.251
  370    HG2  GLU  51           HG2      GLU  51   6.644  -4.256  -4.107
  371    HG3  GLU  51           HG1      GLU  51   5.236  -4.693  -5.074
  372    H    GLU  52           HN       GLU  52   5.789  -2.213  -8.378
  373    HA   GLU  52           HA       GLU  52   8.129  -1.067  -9.495
  374    HB2  GLU  52           HB2      GLU  52   6.804  -0.836 -11.563
  375    HB3  GLU  52           HB1      GLU  52   6.668  -2.444 -10.860
  376    HG2  GLU  52           HG2      GLU  52   4.492  -2.100 -10.164
  377    HG3  GLU  52           HG1      GLU  52   4.642  -0.346 -10.234
  378    H    ARG  53           HN       ARG  53   5.095   0.258  -8.390
  379    HA   ARG  53           HA       ARG  53   5.392   2.693  -9.762
  380    HB2  ARG  53           HB2      ARG  53   3.488   1.924  -7.564
  381    HB3  ARG  53           HB1      ARG  53   3.435   3.461  -8.405
  382    HG2  ARG  53           HG2      ARG  53   3.109   0.760  -9.723
  383    HG3  ARG  53           HG1      ARG  53   1.783   1.808  -9.238
  384    HD2  ARG  53           HD2      ARG  53   2.085   2.141 -11.572
  385    HD3  ARG  53           HD1      ARG  53   2.751   3.560 -10.777
  386    HE   ARG  53           HE       ARG  53   4.300   1.367 -11.983
  387   HH11  ARG  53          HH11      ARG  53   4.093   4.779 -10.906
  388   HH12  ARG  53          HH12      ARG  53   5.504   5.273 -11.701
  389   HH21  ARG  53          HH21      ARG  53   6.273   2.084 -13.130
  390   HH22  ARG  53          HH22      ARG  53   6.765   3.709 -13.005
  391    H    PHE  54           HN       PHE  54   6.192   1.631  -6.536
  392    HA   PHE  54           HA       PHE  54   6.990   4.344  -5.886
  393    HB2  PHE  54           HB2      PHE  54   6.561   1.947  -4.130
  394    HB3  PHE  54           HB1      PHE  54   7.220   3.480  -3.549
  395    HD1  PHE  54           HD2      PHE  54   5.899   5.539  -3.806
  396    HD2  PHE  54           HD1      PHE  54   4.270   1.683  -4.468
  397    HE1  PHE  54           HE2      PHE  54   3.644   6.465  -3.632
  398    HE2  PHE  54           HE1      PHE  54   2.014   2.604  -4.305
  399    HZ   PHE  54           HZ       PHE  54   1.706   4.995  -3.887
  400    H    ASP  55           HN       ASP  55   8.330   1.862  -7.361
  401    HA   ASP  55           HA       ASP  55  10.477   1.268  -7.896
  402    HB2  ASP  55           HB2      ASP  55  10.721   3.749  -8.042
  403    HB3  ASP  55           HB1      ASP  55  11.171   3.789  -6.345
  404    H    VAL  56           HN       VAL  56   9.265   0.142  -5.661
  405    HA   VAL  56           HA       VAL  56  11.494  -0.287  -3.799
  406    HB   VAL  56           HB       VAL  56   9.663   1.248  -2.960
  407   HG11  VAL  56          HG11      VAL  56   7.572   0.291  -2.144
  408   HG12  VAL  56          HG12      VAL  56   7.972  -1.219  -2.964
  409   HG13  VAL  56          HG13      VAL  56   7.732   0.257  -3.900
  410   HG21  VAL  56          HG21      VAL  56   9.497   0.243  -0.713
  411   HG22  VAL  56          HG22      VAL  56  11.132   0.210  -1.373
  412   HG23  VAL  56          HG23      VAL  56  10.150  -1.260  -1.367
  413    H    LYS  57           HN       LYS  57  10.865  -2.384  -2.405
  414    HA   LYS  57           HA       LYS  57   9.601  -4.388  -4.144
  415    HB2  LYS  57           HB2      LYS  57  11.916  -4.622  -2.235
  416    HB3  LYS  57           HB1      LYS  57  11.029  -6.006  -2.834
  417    HG2  LYS  57           HG2      LYS  57  11.753  -5.526  -5.087
  418    HG3  LYS  57           HG1      LYS  57  12.573  -4.060  -4.528
  419    HD2  LYS  57           HD2      LYS  57  14.088  -6.027  -4.807
  420    HD3  LYS  57           HD1      LYS  57  14.088  -5.338  -3.180
  421    HE2  LYS  57           HE2      LYS  57  12.474  -7.104  -2.491
  422    HE3  LYS  57           HE1      LYS  57  12.618  -7.817  -4.095
  423    HZ1  LYS  57           HZ1      LYS  57  14.050  -8.844  -2.342
  424    HZ2  LYS  57           HZ2      LYS  57  14.916  -7.392  -2.284
  425    HZ3  LYS  57           HZ3      LYS  57  14.885  -8.300  -3.712
  426    H    ILE  58           HN       ILE  58   8.113  -5.667  -3.123
  427    HA   ILE  58           HA       ILE  58   7.916  -5.376  -0.237
  428    HB   ILE  58           HB       ILE  58   5.441  -5.359  -2.021
  429   HG12  ILE  58          HG12      ILE  58   6.657  -3.063  -0.454
  430   HG13  ILE  58          HG11      ILE  58   6.779  -3.243  -2.197
  431   HG21  ILE  58          HG21      ILE  58   4.287  -4.814   0.092
  432   HG22  ILE  58          HG22      ILE  58   5.825  -4.902   0.951
  433   HG23  ILE  58          HG23      ILE  58   5.146  -6.351   0.211
  434   HD11  ILE  58          HD11      ILE  58   4.353  -3.051  -2.391
  435   HD12  ILE  58          HD12      ILE  58   5.060  -1.639  -1.601
  436   HD13  ILE  58          HD13      ILE  58   4.231  -2.865  -0.644
  437    HA   PRO  59           HA       PRO  59   8.261  -9.792  -1.349
  438    HB2  PRO  59           HB2      PRO  59   9.252  -9.817   1.440
  439    HB3  PRO  59           HB1      PRO  59  10.009 -10.455  -0.023
  440    HG2  PRO  59           HG2      PRO  59  10.964  -8.267   1.143
  441    HG3  PRO  59           HG1      PRO  59  10.882  -8.388  -0.626
  442    HD2  PRO  59           HD2      PRO  59   9.035  -6.972   1.255
  443    HD3  PRO  59           HD1      PRO  59   9.721  -6.410  -0.283
  444    H    ASP  60           HN       ASP  60   7.127 -11.543  -0.630
  445    HA   ASP  60           HA       ASP  60   4.527 -11.190   0.239
  446    HB2  ASP  60           HB2      ASP  60   6.230 -13.684   0.350
  447    HB3  ASP  60           HB1      ASP  60   4.507 -13.671   0.680
  448    H    ASP  61           HN       ASP  61   7.333 -12.162   2.145
  449    HA   ASP  61           HA       ASP  61   5.929 -12.612   4.566
  450    HB2  ASP  61           HB2      ASP  61   8.194 -13.493   4.196
  451    HB3  ASP  61           HB1      ASP  61   8.832 -11.851   4.174
  452    H    ASP  62           HN       ASP  62   7.527  -9.784   3.229
  453    HA   ASP  62           HA       ASP  62   7.131  -8.205   5.555
  454    HB2  ASP  62           HB2      ASP  62   8.061  -7.542   2.803
  455    HB3  ASP  62           HB1      ASP  62   7.535  -6.236   3.860
  456    H    VAL  63           HN       VAL  63   5.245  -8.800   2.739
  457    HA   VAL  63           HA       VAL  63   3.297  -6.788   2.982
  458    HB   VAL  63           HB       VAL  63   2.835  -9.700   2.209
  459   HG11  VAL  63          HG11      VAL  63   1.180  -7.249   1.604
  460   HG12  VAL  63          HG12      VAL  63   0.751  -8.559   2.707
  461   HG13  VAL  63          HG13      VAL  63   0.881  -8.871   0.977
  462   HG21  VAL  63          HG21      VAL  63   3.045  -8.949  -0.114
  463   HG22  VAL  63          HG22      VAL  63   4.535  -8.685   0.793
  464   HG23  VAL  63          HG23      VAL  63   3.456  -7.331   0.451
  465    H    LYS  64           HN       LYS  64   3.238 -10.086   4.227
  466    HA   LYS  64           HA       LYS  64   0.892  -9.897   5.781
  467    HB2  LYS  64           HB2      LYS  64   3.221 -11.798   6.000
  468    HB3  LYS  64           HB1      LYS  64   1.624 -12.050   6.702
  469    HG2  LYS  64           HG2      LYS  64   0.611 -12.255   4.592
  470    HG3  LYS  64           HG1      LYS  64   2.031 -11.611   3.766
  471    HD2  LYS  64           HD2      LYS  64   3.292 -13.612   4.453
  472    HD3  LYS  64           HD1      LYS  64   1.822 -14.259   5.196
  473    HE2  LYS  64           HE2      LYS  64   0.704 -14.305   3.073
  474    HE3  LYS  64           HE1      LYS  64   2.053 -13.478   2.297
  475    HZ1  LYS  64           HZ1      LYS  64   2.213 -16.182   3.525
  476    HZ2  LYS  64           HZ2      LYS  64   3.435 -15.374   2.693
  477    HZ3  LYS  64           HZ3      LYS  64   2.042 -15.866   1.868
  478    H    ASN  65           HN       ASN  65   3.977  -8.716   6.397
  479    HA   ASN  65           HA       ASN  65   3.793  -8.783   9.285
  480    HB2  ASN  65           HB2      ASN  65   5.979  -9.101   8.266
  481    HB3  ASN  65           HB1      ASN  65   5.840  -7.579   7.401
  482   HD21  ASN  65          HD21      ASN  65   6.569  -5.755   8.372
  483   HD22  ASN  65          HD22      ASN  65   7.141  -5.705  10.005
  484    H    LEU  66           HN       LEU  66   2.610  -6.778   6.809
  485    HA   LEU  66           HA       LEU  66   2.660  -4.388   8.485
  486    HB2  LEU  66           HB2      LEU  66   1.667  -4.760   5.659
  487    HB3  LEU  66           HB1      LEU  66   1.882  -3.238   6.497
  488    HG   LEU  66           HG       LEU  66   4.097  -5.114   5.676
  489   HD11  LEU  66          HD11      LEU  66   3.208  -2.482   4.572
  490   HD12  LEU  66          HD12      LEU  66   3.051  -4.055   3.791
  491   HD13  LEU  66          HD13      LEU  66   4.657  -3.359   4.068
  492   HD21  LEU  66          HD21      LEU  66   4.619  -3.826   7.712
  493   HD22  LEU  66          HD22      LEU  66   4.267  -2.331   6.823
  494   HD23  LEU  66          HD23      LEU  66   5.612  -3.352   6.336
  495    H    LYS  67           HN       LYS  67   0.342  -3.150   7.894
  496    HA   LYS  67           HA       LYS  67  -1.911  -4.846   7.860
  497    HB2  LYS  67           HB2      LYS  67  -2.755  -4.350  10.172
  498    HB3  LYS  67           HB1      LYS  67  -1.343  -5.390  10.131
  499    HG2  LYS  67           HG2      LYS  67  -0.053  -3.167  10.473
  500    HG3  LYS  67           HG1      LYS  67  -1.605  -2.578  11.077
  501    HD2  LYS  67           HD2      LYS  67  -0.312  -3.403  12.942
  502    HD3  LYS  67           HD1      LYS  67  -1.655  -4.511  12.651
  503    HE2  LYS  67           HE2      LYS  67   0.340  -5.797  13.035
  504    HE3  LYS  67           HE1      LYS  67  -0.132  -5.960  11.347
  505    HZ1  LYS  67           HZ1      LYS  67   2.174  -5.625  11.290
  506    HZ2  LYS  67           HZ2      LYS  67   2.142  -4.511  12.517
  507    HZ3  LYS  67           HZ3      LYS  67   1.641  -4.021  11.010
  508    H    THR  68           HN       THR  68  -0.909  -1.599   9.056
  509    HA   THR  68           HA       THR  68  -3.206  -0.609   7.556
  510    HB   THR  68           HB       THR  68  -2.990   1.477   8.822
  511    HG1  THR  68           HG1      THR  68  -0.658   0.245   9.950
  512   HG21  THR  68          HG21      THR  68  -3.460   0.673  11.109
  513   HG22  THR  68          HG22      THR  68  -2.862  -0.925  10.648
  514   HG23  THR  68          HG23      THR  68  -4.313  -0.272   9.891
  515    H    VAL  69           HN       VAL  69  -2.546   1.791   6.733
  516    HA   VAL  69           HA       VAL  69  -0.343   1.297   4.963
  517    HB   VAL  69           HB       VAL  69  -0.798   3.472   3.929
  518   HG11  VAL  69          HG11      VAL  69  -3.337   1.953   4.479
  519   HG12  VAL  69          HG12      VAL  69  -2.167   1.599   3.214
  520   HG13  VAL  69          HG13      VAL  69  -3.095   3.101   3.161
  521   HG21  VAL  69          HG21      VAL  69  -2.607   4.904   4.716
  522   HG22  VAL  69          HG22      VAL  69  -1.329   4.741   5.919
  523   HG23  VAL  69          HG23      VAL  69  -2.837   3.844   6.104
  524    H    GLY  70           HN       GLY  70  -0.721   2.543   8.037
  525    HA2  GLY  70           HA2      GLY  70   1.507   4.323   8.105
  526    HA3  GLY  70           HA1      GLY  70   0.671   3.620   9.490
  527    H    ASP  71           HN       ASP  71   1.050   0.947   8.212
  528    HA   ASP  71           HA       ASP  71   3.661   0.288   9.303
  529    HB2  ASP  71           HB2      ASP  71   1.694  -1.418   7.745
  530    HB3  ASP  71           HB1      ASP  71   3.141  -2.004   8.533
  531    H    ALA  72           HN       ALA  72   2.020   0.346   6.233
  532    HA   ALA  72           HA       ALA  72   3.999  -0.833   4.637
  533    HB1  ALA  72           HB1      ALA  72   1.633  -0.748   4.020
  534    HB2  ALA  72           HB2      ALA  72   2.666  -0.090   2.750
  535    HB3  ALA  72           HB3      ALA  72   1.762   0.997   3.802
  536    H    THR  73           HN       THR  73   3.121   2.549   5.125
  537    HA   THR  73           HA       THR  73   4.645   3.819   3.273
  538    HB   THR  73           HB       THR  73   4.805   5.608   5.155
  539    HG1  THR  73           HG1      THR  73   2.666   4.243   6.273
  540   HG21  THR  73          HG21      THR  73   3.283   5.702   3.247
  541   HG22  THR  73          HG22      THR  73   2.476   6.240   4.721
  542   HG23  THR  73          HG23      THR  73   2.160   4.626   4.077
  543    H    LYS  74           HN       LYS  74   5.580   3.126   6.582
  544    HA   LYS  74           HA       LYS  74   8.086   4.328   6.625
  545    HB2  LYS  74           HB2      LYS  74   7.538   1.803   8.169
  546    HB3  LYS  74           HB1      LYS  74   8.532   3.169   8.629
  547    HG2  LYS  74           HG2      LYS  74   5.517   3.041   8.569
  548    HG3  LYS  74           HG1      LYS  74   6.565   3.150   9.967
  549    HD2  LYS  74           HD2      LYS  74   7.231   5.411   9.329
  550    HD3  LYS  74           HD1      LYS  74   6.240   5.301   7.867
  551    HE2  LYS  74           HE2      LYS  74   4.242   4.952   9.258
  552    HE3  LYS  74           HE1      LYS  74   5.231   5.101  10.703
  553    HZ1  LYS  74           HZ1      LYS  74   4.634   7.229   8.716
  554    HZ2  LYS  74           HZ2      LYS  74   5.733   7.427   9.961
  555    HZ3  LYS  74           HZ3      LYS  74   4.091   7.107  10.295
  556    H    TYR  75           HN       TYR  75   7.203   1.067   5.649
  557    HA   TYR  75           HA       TYR  75   9.909   0.174   5.317
  558    HB2  TYR  75           HB2      TYR  75   8.091  -1.399   5.847
  559    HB3  TYR  75           HB1      TYR  75   7.303  -1.008   4.327
  560    HD1  TYR  75           HD1      TYR  75  10.254  -2.641   5.837
  561    HD2  TYR  75           HD2      TYR  75   7.966  -2.076   2.296
  562    HE1  TYR  75           HE1      TYR  75  11.484  -4.472   4.756
  563    HE2  TYR  75           HE2      TYR  75   9.177  -3.895   1.203
  564    HH   TYR  75           HH       TYR  75  10.991  -6.101   2.894
  565    H    ILE  76           HN       ILE  76   7.307   1.175   3.159
  566    HA   ILE  76           HA       ILE  76   8.568   0.760   0.688
  567    HB   ILE  76           HB       ILE  76   6.491   2.841   1.429
  568   HG12  ILE  76          HG12      ILE  76   6.154   0.132   0.131
  569   HG13  ILE  76          HG11      ILE  76   5.852   0.470   1.835
  570   HG21  ILE  76          HG21      ILE  76   5.965   2.900  -0.974
  571   HG22  ILE  76          HG22      ILE  76   7.317   1.812  -1.294
  572   HG23  ILE  76          HG23      ILE  76   7.619   3.429  -0.660
  573   HD11  ILE  76          HD11      ILE  76   4.161   2.070   1.217
  574   HD12  ILE  76          HD12      ILE  76   3.787   0.462   0.572
  575   HD13  ILE  76          HD13      ILE  76   4.437   1.730  -0.489
  576    H    LEU  77           HN       LEU  77   8.144   3.861   2.419
  577    HA   LEU  77           HA       LEU  77   9.644   5.266   0.564
  578    HB2  LEU  77           HB2      LEU  77   9.672   7.167   2.207
  579    HB3  LEU  77           HB1      LEU  77   8.101   6.553   1.770
  580    HG   LEU  77           HG       LEU  77   8.088   5.317   3.977
  581   HD11  LEU  77          HD11      LEU  77  10.446   7.078   4.599
  582   HD12  LEU  77          HD12      LEU  77  10.453   5.317   4.483
  583   HD13  LEU  77          HD13      LEU  77   9.537   6.109   5.761
  584   HD21  LEU  77          HD21      LEU  77   7.485   7.298   5.264
  585   HD22  LEU  77          HD22      LEU  77   6.825   7.336   3.629
  586   HD23  LEU  77          HD23      LEU  77   8.232   8.317   4.034
  587    H    ASP  78           HN       ASP  78  10.699   3.371   3.079
  588    HA   ASP  78           HA       ASP  78  13.243   4.722   3.412
  589    HB2  ASP  78           HB2      ASP  78  12.143   3.602   5.320
  590    HB3  ASP  78           HB1      ASP  78  12.345   2.056   4.510
  591    H    HIS  79           HN       HIS  79  11.978   2.170   1.470
  592    HA   HIS  79           HA       HIS  79  14.686   1.268   0.773
  593    HB2  HIS  79           HB2      HIS  79  12.005  -0.017   0.377
  594    HB3  HIS  79           HB1      HIS  79  13.415  -0.554  -0.516
  595    HD1  HIS  79           HD1      HIS  79  14.388  -2.557   0.500
  596    HD2  HIS  79           HD2      HIS  79  12.702  -0.071   3.369
  597    HE1  HIS  79           HE1      HIS  79  14.703  -3.739   2.695
  598    HE2  HIS  79           HE2      HIS  79  13.632  -2.245   4.412
  599    H    GLN  80           HN       GLN  80  12.647   3.539  -0.358
  600    HA   GLN  80           HA       GLN  80  12.700   2.958  -3.182
  601    HB2  GLN  80           HB2      GLN  80  12.364   5.687  -1.958
  602    HB3  GLN  80           HB1      GLN  80  11.852   5.157  -3.544
  603    HG2  GLN  80           HG2      GLN  80  10.181   3.721  -2.501
  604    HG3  GLN  80           HG1      GLN  80  10.696   4.304  -0.912
  605   HE21  GLN  80          HE21      GLN  80  10.550   6.599  -0.532
  606   HE22  GLN  80          HE22      GLN  80   9.272   7.479  -1.278
  607    H    ALA  81           HN       ALA  81  13.799   4.396  -4.744
  608    HA   ALA  81           HA       ALA  81  15.552   5.367  -5.695
  609    HB1  ALA  81           HB1      ALA  81  16.587   7.272  -4.575
  610    HB2  ALA  81           HB2      ALA  81  15.919   6.748  -3.028
  611    HB3  ALA  81           HB3      ALA  81  14.841   7.284  -4.318
  612    H28  SXO 101          H28B      SXO 101  -5.954 -11.411   5.015
  613   H28A  SXO 101          H28A      SXO 101  -5.654 -11.841   3.300
  614    H30  SXO 101          H30A      SXO 101  -4.173 -12.399   6.146
  615   H30A  SXO 101          H30C      SXO 101  -3.206 -13.641   5.347
  616   H30B  SXO 101          H30B      SXO 101  -3.424 -12.059   4.591
  617    H31  SXO 101          H31A      SXO 101  -6.725 -14.687   4.867
  618   H31A  SXO 101          H31B      SXO 101  -6.090 -13.905   6.319
  619   H31B  SXO 101          H31C      SXO 101  -5.173 -15.204   5.531
  620    H32  SXO 101          H32A      SXO 101  -3.974 -14.683   3.288
  621   HO33  SXO 101          H33A      SXO 101  -6.181 -14.123   1.853
  622   HN36  SXO 101          H36A      SXO 101  -2.603 -12.860   3.009
  623    H37  SXO 101          H37A      SXO 101  -1.525 -12.104   1.020
  624   H37A  SXO 101          H37B      SXO 101  -3.099 -11.423   0.540
  625    H38  SXO 101          H38B      SXO 101  -1.466  -9.761   1.501
  626   H38A  SXO 101          H38A      SXO 101  -1.552 -10.622   3.025
  627   HN41  SXO 101          H41A      SXO 101  -2.428  -8.912   4.095
  628    H42  SXO 101          H42A      SXO 101  -4.339  -7.063   3.628
  629   H42A  SXO 101          H42B      SXO 101  -5.283  -8.488   3.866
  630    H43  SXO 101          H43B      SXO 101  -5.284  -7.689   5.905
  631   H43A  SXO 101          H43A      SXO 101  -3.994  -8.874   6.021
  632    H2   SXO 101           H2A      SXO 101   0.308  -6.672   5.202
  633    H2A  SXO 101           H2B      SXO 101  -0.673  -5.407   5.963
  634    H3   SXO 101           H3B      SXO 101  -0.915  -6.390   3.126
  635    H3A  SXO 101           H3A      SXO 101  -1.826  -5.067   3.857
  636    H4   SXO 101           H4A      SXO 101   1.176  -5.146   3.544
  637    H4A  SXO 101           H4B      SXO 101   0.225  -3.807   4.186
  638    H5   SXO 101           H5B      SXO 101   0.078  -4.911   1.387
  639    H5A  SXO 101           H5A      SXO 101  -0.934  -3.619   2.027
  640    H6   SXO 101           H6A      SXO 101   2.065  -3.567   1.730
  641    H6A  SXO 101           H6B      SXO 101   1.091  -2.278   2.443
  642    H7   SXO 101           H7A      SXO 101  -0.130  -2.052   0.309
  643    H7A  SXO 101           H7B      SXO 101   0.924  -3.293  -0.398
  644    H8   SXO 101           H8C      SXO 101   1.689  -1.040  -0.948
  645    H8A  SXO 101           H8A      SXO 101   2.862  -1.886   0.062
  646    H8B  SXO 101           H8B      SXO 101   1.811  -0.663   0.771
  Start of MODEL   20
    1    H1   ALA   1           HT1      ALA   1  13.652  10.785  -2.858
    2    H2   ALA   1           HT2      ALA   1  12.350  10.699  -1.799
    3    H3   ALA   1           HT3      ALA   1  12.376  11.894  -2.994
    4    HA   ALA   1           HA       ALA   1  12.198  10.232  -4.697
    5    HB1  ALA   1           HB1      ALA   1  11.931   8.307  -2.386
    6    HB2  ALA   1           HB2      ALA   1  13.312   8.412  -3.481
    7    HB3  ALA   1           HB3      ALA   1  11.737   7.909  -4.095
    8    H    ALA   2           HN       ALA   2  10.464   9.955  -1.549
    9    HA   ALA   2           HA       ALA   2   8.209  11.402  -2.260
   10    HB1  ALA   2           HB1      ALA   2   6.528   9.596  -2.431
   11    HB2  ALA   2           HB2      ALA   2   7.822   8.398  -2.440
   12    HB3  ALA   2           HB3      ALA   2   7.666   9.535  -3.780
   13    H    THR   3           HN       THR   3   7.016  11.717  -0.360
   14    HA   THR   3           HA       THR   3   8.041  10.179   1.889
   15    HB   THR   3           HB       THR   3   6.343  12.566   2.452
   16    HG1  THR   3           HG1      THR   3   7.649  13.211   0.642
   17   HG21  THR   3          HG21      THR   3   7.507  11.315   4.238
   18   HG22  THR   3          HG22      THR   3   8.076  12.981   4.144
   19   HG23  THR   3          HG23      THR   3   9.054  11.677   3.471
   20    H    GLN   4           HN       GLN   4   5.925  10.611   3.721
   21    HA   GLN   4           HA       GLN   4   4.534   8.288   3.019
   22    HB2  GLN   4           HB2      GLN   4   4.141  10.199   5.310
   23    HB3  GLN   4           HB1      GLN   4   3.240   8.697   5.129
   24    HG2  GLN   4           HG2      GLN   4   5.292   7.421   5.187
   25    HG3  GLN   4           HG1      GLN   4   6.229   8.907   5.308
   26   HE21  GLN   4          HE21      GLN   4   4.159   6.662   6.976
   27   HE22  GLN   4          HE22      GLN   4   4.443   7.274   8.557
   28    H    GLU   5           HN       GLU   5   3.568  11.669   2.912
   29    HA   GLU   5           HA       GLU   5   0.863  11.181   2.295
   30    HB2  GLU   5           HB2      GLU   5   2.624  13.486   1.451
   31    HB3  GLU   5           HB1      GLU   5   0.884  13.437   1.242
   32    HG2  GLU   5           HG2      GLU   5   2.331  13.372   3.875
   33    HG3  GLU   5           HG1      GLU   5   1.589  14.794   3.146
   34    H    GLU   6           HN       GLU   6   3.612  11.765   0.171
   35    HA   GLU   6           HA       GLU   6   2.213  11.351  -2.229
   36    HB2  GLU   6           HB2      GLU   6   5.173  10.903  -1.821
   37    HB3  GLU   6           HB1      GLU   6   4.353  11.272  -3.328
   38    HG2  GLU   6           HG2      GLU   6   5.263  13.300  -2.828
   39    HG3  GLU   6           HG1      GLU   6   3.689  13.465  -2.057
   40    H    ILE   7           HN       ILE   7   3.934   9.189  -0.084
   41    HA   ILE   7           HA       ILE   7   4.003   7.060  -1.823
   42    HB   ILE   7           HB       ILE   7   4.119   7.087   1.201
   43   HG12  ILE   7          HG12      ILE   7   6.102   7.917  -0.017
   44   HG13  ILE   7          HG11      ILE   7   6.462   6.436   0.857
   45   HG21  ILE   7          HG21      ILE   7   4.353   4.635  -0.542
   46   HG22  ILE   7          HG22      ILE   7   3.073   4.968   0.626
   47   HG23  ILE   7          HG23      ILE   7   4.729   4.708   1.179
   48   HD11  ILE   7          HD11      ILE   7   7.526   6.452  -1.353
   49   HD12  ILE   7          HD12      ILE   7   5.963   6.656  -2.123
   50   HD13  ILE   7          HD13      ILE   7   6.328   5.171  -1.259
   51    H    VAL   8           HN       VAL   8   1.728   7.885   0.822
   52    HA   VAL   8           HA       VAL   8  -0.087   5.786   0.376
   53    HB   VAL   8           HB       VAL   8  -0.513   8.472   1.743
   54   HG11  VAL   8          HG11      VAL   8  -2.223   5.996   1.820
   55   HG12  VAL   8          HG12      VAL   8  -2.646   7.513   1.029
   56   HG13  VAL   8          HG13      VAL   8  -2.464   7.454   2.782
   57   HG21  VAL   8          HG21      VAL   8   1.154   7.061   2.791
   58   HG22  VAL   8          HG22      VAL   8   0.009   5.723   2.839
   59   HG23  VAL   8          HG23      VAL   8  -0.294   7.181   3.788
   60    H    ALA   9           HN       ALA   9   0.126   9.016  -0.991
   61    HA   ALA   9           HA       ALA   9  -2.316   9.114  -2.367
   62    HB1  ALA   9           HB1      ALA   9  -0.815  11.044  -2.174
   63    HB2  ALA   9           HB2      ALA   9  -1.216  10.714  -3.865
   64    HB3  ALA   9           HB3      ALA   9   0.352  10.231  -3.218
   65    H    GLY  10           HN       GLY  10   0.808   7.759  -3.259
   66    HA2  GLY  10           HA2      GLY  10   0.088   6.978  -5.883
   67    HA3  GLY  10           HA1      GLY  10   1.446   6.353  -4.950
   68    H    LEU  11           HN       LEU  11   0.094   5.367  -2.765
   69    HA   LEU  11           HA       LEU  11  -0.664   2.792  -3.510
   70    HB2  LEU  11           HB2      LEU  11  -1.339   4.375  -1.037
   71    HB3  LEU  11           HB1      LEU  11  -1.729   2.681  -1.227
   72    HG   LEU  11           HG       LEU  11   1.064   3.811  -1.278
   73   HD11  LEU  11          HD11      LEU  11  -0.430   2.366   0.924
   74   HD12  LEU  11          HD12      LEU  11   0.015   4.072   0.937
   75   HD13  LEU  11          HD13      LEU  11   1.269   2.832   0.971
   76   HD21  LEU  11          HD21      LEU  11   1.742   1.481  -1.064
   77   HD22  LEU  11          HD22      LEU  11   0.757   1.708  -2.516
   78   HD23  LEU  11          HD23      LEU  11   0.055   0.978  -1.076
   79    H    ALA  12           HN       ALA  12  -2.695   5.514  -2.564
   80    HA   ALA  12           HA       ALA  12  -5.149   4.230  -2.840
   81    HB1  ALA  12           HB1      ALA  12  -6.152   6.364  -2.830
   82    HB2  ALA  12           HB2      ALA  12  -4.597   7.152  -3.170
   83    HB3  ALA  12           HB3      ALA  12  -4.859   6.296  -1.631
   84    H    GLU  13           HN       GLU  13  -3.122   5.741  -5.302
   85    HA   GLU  13           HA       GLU  13  -5.088   6.001  -7.240
   86    HB2  GLU  13           HB2      GLU  13  -3.155   7.214  -7.623
   87    HB3  GLU  13           HB1      GLU  13  -2.105   5.879  -7.177
   88    HG2  GLU  13           HG2      GLU  13  -2.564   4.759  -9.076
   89    HG3  GLU  13           HG1      GLU  13  -3.789   5.911  -9.660
   90    H    ILE  14           HN       ILE  14  -2.876   3.351  -6.446
   91    HA   ILE  14           HA       ILE  14  -4.116   1.842  -8.528
   92    HB   ILE  14           HB       ILE  14  -2.108   0.799  -6.471
   93   HG12  ILE  14          HG12      ILE  14  -0.599   0.608  -8.509
   94   HG13  ILE  14          HG11      ILE  14  -1.769   1.588  -9.374
   95   HG21  ILE  14          HG21      ILE  14  -3.212  -0.516  -8.937
   96   HG22  ILE  14          HG22      ILE  14  -3.564  -0.948  -7.263
   97   HG23  ILE  14          HG23      ILE  14  -1.930  -1.173  -7.906
   98   HD11  ILE  14          HD11      ILE  14   0.114   2.895  -8.633
   99   HD12  ILE  14          HD12      ILE  14  -0.185   2.409  -6.964
  100   HD13  ILE  14          HD13      ILE  14  -1.359   3.413  -7.813
  101    H    VAL  15           HN       VAL  15  -4.567   2.216  -5.087
  102    HA   VAL  15           HA       VAL  15  -6.226  -0.050  -4.820
  103    HB   VAL  15           HB       VAL  15  -6.447   2.479  -3.127
  104   HG11  VAL  15          HG11      VAL  15  -7.355  -0.352  -2.548
  105   HG12  VAL  15          HG12      VAL  15  -8.403   1.018  -2.907
  106   HG13  VAL  15          HG13      VAL  15  -7.450   1.003  -1.422
  107   HG21  VAL  15          HG21      VAL  15  -4.862  -0.035  -2.614
  108   HG22  VAL  15          HG22      VAL  15  -5.082   1.292  -1.476
  109   HG23  VAL  15          HG23      VAL  15  -4.198   1.562  -2.982
  110    H    ASN  16           HN       ASN  16  -6.795   3.104  -6.056
  111    HA   ASN  16           HA       ASN  16  -9.617   2.947  -6.276
  112    HB2  ASN  16           HB2      ASN  16  -8.500   5.090  -6.478
  113    HB3  ASN  16           HB1      ASN  16  -7.589   4.525  -7.875
  114   HD21  ASN  16          HD21      ASN  16 -10.675   5.555  -6.710
  115   HD22  ASN  16          HD22      ASN  16 -11.396   5.757  -8.261
  116    H    GLU  17           HN       GLU  17  -6.964   2.047  -8.368
  117    HA   GLU  17           HA       GLU  17  -8.532   1.308 -10.602
  118    HB2  GLU  17           HB2      GLU  17  -6.080   1.869 -10.591
  119    HB3  GLU  17           HB1      GLU  17  -5.785   0.320  -9.823
  120    HG2  GLU  17           HG2      GLU  17  -5.323   0.166 -12.166
  121    HG3  GLU  17           HG1      GLU  17  -6.751  -0.799 -11.788
  122    H    ILE  18           HN       ILE  18  -7.110  -0.482  -7.920
  123    HA   ILE  18           HA       ILE  18  -7.954  -3.073  -8.764
  124    HB   ILE  18           HB       ILE  18  -6.970  -2.012  -6.115
  125   HG12  ILE  18          HG12      ILE  18  -5.377  -1.845  -7.861
  126   HG13  ILE  18          HG11      ILE  18  -4.862  -3.112  -6.747
  127   HG21  ILE  18          HG21      ILE  18  -6.541  -4.321  -5.435
  128   HG22  ILE  18          HG22      ILE  18  -7.376  -4.893  -6.883
  129   HG23  ILE  18          HG23      ILE  18  -8.260  -3.990  -5.651
  130   HD11  ILE  18          HD11      ILE  18  -5.694  -4.802  -8.328
  131   HD12  ILE  18          HD12      ILE  18  -4.457  -3.771  -9.056
  132   HD13  ILE  18          HD13      ILE  18  -6.163  -3.515  -9.441
  133    H    ALA  19           HN       ALA  19  -9.102  -0.924  -6.147
  134    HA   ALA  19           HA       ALA  19 -11.458  -2.657  -5.871
  135    HB1  ALA  19           HB1      ALA  19 -10.259  -0.738  -3.897
  136    HB2  ALA  19           HB2      ALA  19 -10.038  -2.488  -3.909
  137    HB3  ALA  19           HB3      ALA  19 -11.638  -1.802  -3.615
  138    H    GLY  20           HN       GLY  20 -10.457   0.709  -5.799
  139    HA2  GLY  20           HA2      GLY  20 -11.709   2.358  -7.067
  140    HA3  GLY  20           HA1      GLY  20 -13.145   1.378  -6.824
  141    H    ILE  21           HN       ILE  21 -10.704   2.975  -4.798
  142    HA   ILE  21           HA       ILE  21 -12.910   4.028  -3.206
  143    HB   ILE  21           HB       ILE  21 -10.999   4.720  -1.601
  144   HG12  ILE  21          HG12      ILE  21  -9.074   3.055  -1.539
  145   HG13  ILE  21          HG11      ILE  21  -9.544   2.559  -3.148
  146   HG21  ILE  21          HG21      ILE  21 -11.841   1.861  -1.800
  147   HG22  ILE  21          HG22      ILE  21 -12.623   3.200  -0.934
  148   HG23  ILE  21          HG23      ILE  21 -11.053   2.615  -0.406
  149   HD11  ILE  21          HD11      ILE  21  -9.062   4.813  -3.973
  150   HD12  ILE  21          HD12      ILE  21  -7.659   4.073  -3.198
  151   HD13  ILE  21          HD13      ILE  21  -8.595   5.298  -2.341
  152    HA   PRO  22           HA       PRO  22 -11.990   8.116  -4.668
  153    HB2  PRO  22           HB2      PRO  22 -12.147   9.102  -1.878
  154    HB3  PRO  22           HB1      PRO  22 -13.145   9.542  -3.267
  155    HG2  PRO  22           HG2      PRO  22 -14.113   8.055  -1.259
  156    HG3  PRO  22           HG1      PRO  22 -14.608   7.787  -2.942
  157    HD2  PRO  22           HD2      PRO  22 -12.667   6.258  -1.266
  158    HD3  PRO  22           HD1      PRO  22 -13.868   5.659  -2.432
  159    H    VAL  23           HN       VAL  23 -10.116   9.337  -4.824
  160    HA   VAL  23           HA       VAL  23  -7.846   8.241  -3.387
  161    HB   VAL  23           HB       VAL  23  -7.837   8.605  -5.876
  162   HG11  VAL  23          HG11      VAL  23  -7.625  11.516  -5.204
  163   HG12  VAL  23          HG12      VAL  23  -8.931  10.702  -6.063
  164   HG13  VAL  23          HG13      VAL  23  -7.330  10.811  -6.794
  165   HG21  VAL  23          HG21      VAL  23  -5.617   9.943  -4.341
  166   HG22  VAL  23          HG22      VAL  23  -5.491   9.362  -6.007
  167   HG23  VAL  23          HG23      VAL  23  -5.774   8.222  -4.679
  168    H    GLU  24           HN       GLU  24  -9.698   9.731  -1.998
  169    HA   GLU  24           HA       GLU  24  -8.007  11.763  -0.745
  170    HB2  GLU  24           HB2      GLU  24 -10.031  13.178  -0.450
  171    HB3  GLU  24           HB1      GLU  24  -9.608  12.967  -2.143
  172    HG2  GLU  24           HG2      GLU  24 -11.336  11.192  -2.297
  173    HG3  GLU  24           HG1      GLU  24 -11.800  11.557  -0.639
  174    H    ASP  25           HN       ASP  25  -9.224   8.884  -0.501
  175    HA   ASP  25           HA       ASP  25 -10.534   9.106   2.127
  176    HB2  ASP  25           HB2      ASP  25 -11.704   7.720   0.443
  177    HB3  ASP  25           HB1      ASP  25 -10.236   6.776   0.243
  178    H    VAL  26           HN       VAL  26  -7.798   7.731   0.484
  179    HA   VAL  26           HA       VAL  26  -7.001   6.151   2.742
  180    HB   VAL  26           HB       VAL  26  -5.490   6.617   0.162
  181   HG11  VAL  26          HG11      VAL  26  -4.154   5.634   1.947
  182   HG12  VAL  26          HG12      VAL  26  -4.451   4.457   0.667
  183   HG13  VAL  26          HG13      VAL  26  -5.365   4.371   2.173
  184   HG21  VAL  26          HG21      VAL  26  -7.724   5.799  -0.349
  185   HG22  VAL  26          HG22      VAL  26  -7.515   4.476   0.799
  186   HG23  VAL  26          HG23      VAL  26  -6.518   4.549  -0.654
  187    H    LYS  27           HN       LYS  27  -6.588   7.640   4.277
  188    HA   LYS  27           HA       LYS  27  -4.228   9.352   3.939
  189    HB2  LYS  27           HB2      LYS  27  -6.209   9.160   6.214
  190    HB3  LYS  27           HB1      LYS  27  -4.883  10.308   6.110
  191    HG2  LYS  27           HG2      LYS  27  -5.919  11.317   4.141
  192    HG3  LYS  27           HG1      LYS  27  -7.258  10.166   4.272
  193    HD2  LYS  27           HD2      LYS  27  -7.741  11.021   6.514
  194    HD3  LYS  27           HD1      LYS  27  -6.442  12.202   6.331
  195    HE2  LYS  27           HE2      LYS  27  -7.596  13.170   4.418
  196    HE3  LYS  27           HE1      LYS  27  -8.896  11.987   4.599
  197    HZ1  LYS  27           HZ1      LYS  27  -9.547  14.008   5.602
  198    HZ2  LYS  27           HZ2      LYS  27  -8.113  14.102   6.510
  199    HZ3  LYS  27           HZ3      LYS  27  -9.254  12.893   6.857
  200    H    LEU  28           HN       LEU  28  -3.050   9.333   6.369
  201    HA   LEU  28           HA       LEU  28  -1.704   6.847   6.297
  202    HB2  LEU  28           HB2      LEU  28  -1.438   9.274   8.004
  203    HB3  LEU  28           HB1      LEU  28  -0.659   7.798   8.522
  204    HG   LEU  28           HG       LEU  28   0.902   9.259   7.367
  205   HD11  LEU  28          HD11      LEU  28   1.779   7.675   5.732
  206   HD12  LEU  28          HD12      LEU  28   0.256   6.787   5.788
  207   HD13  LEU  28          HD13      LEU  28   1.273   6.886   7.226
  208   HD21  LEU  28          HD21      LEU  28  -0.888   8.953   4.946
  209   HD22  LEU  28          HD22      LEU  28   0.701   9.718   4.960
  210   HD23  LEU  28          HD23      LEU  28  -0.631  10.438   5.863
  211    H    ASP  29           HN       ASP  29  -4.356   7.872   8.305
  212    HA   ASP  29           HA       ASP  29  -3.895   5.695  10.203
  213    HB2  ASP  29           HB2      ASP  29  -6.081   7.776  10.071
  214    HB3  ASP  29           HB1      ASP  29  -6.060   6.475  11.249
  215    H    LYS  30           HN       LYS  30  -4.740   5.377   7.281
  216    HA   LYS  30           HA       LYS  30  -7.187   3.830   7.719
  217    HB2  LYS  30           HB2      LYS  30  -5.798   4.519   5.121
  218    HB3  LYS  30           HB1      LYS  30  -7.386   3.794   5.298
  219    HG2  LYS  30           HG2      LYS  30  -6.708   6.536   6.330
  220    HG3  LYS  30           HG1      LYS  30  -7.317   6.246   4.711
  221    HD2  LYS  30           HD2      LYS  30  -8.769   5.433   7.230
  222    HD3  LYS  30           HD1      LYS  30  -9.034   6.965   6.394
  223    HE2  LYS  30           HE2      LYS  30  -9.563   5.620   4.331
  224    HE3  LYS  30           HE1      LYS  30  -9.536   4.185   5.352
  225    HZ1  LYS  30           HZ1      LYS  30 -11.340   5.205   6.692
  226    HZ2  LYS  30           HZ2      LYS  30 -11.788   5.010   5.081
  227    HZ3  LYS  30           HZ3      LYS  30 -11.323   6.521   5.637
  228    H    SER  31           HN       SER  31  -7.090   1.650   7.698
  229    HA   SER  31           HA       SER  31  -4.555   0.407   6.917
  230    HB2  SER  31           HB2      SER  31  -6.640  -1.145   8.341
  231    HB3  SER  31           HB1      SER  31  -4.884  -1.116   8.493
  232    HG   SER  31           HG       SER  31  -6.588   0.931   9.470
  233    H    PHE  32           HN       PHE  32  -4.761  -1.555   5.635
  234    HA   PHE  32           HA       PHE  32  -6.290  -1.050   3.388
  235    HB2  PHE  32           HB2      PHE  32  -4.782  -3.528   4.181
  236    HB3  PHE  32           HB1      PHE  32  -5.483  -3.265   2.582
  237    HD1  PHE  32           HD2      PHE  32  -4.607  -1.545   1.104
  238    HD2  PHE  32           HD1      PHE  32  -2.813  -2.332   4.881
  239    HE1  PHE  32           HE2      PHE  32  -2.619  -0.265   0.422
  240    HE2  PHE  32           HE1      PHE  32  -0.828  -1.052   4.207
  241    HZ   PHE  32           HZ       PHE  32  -0.728  -0.020   1.975
  242    H    THR  33           HN       THR  33  -6.974  -3.543   5.863
  243    HA   THR  33           HA       THR  33  -9.564  -3.591   4.513
  244    HB   THR  33           HB       THR  33  -8.257  -5.722   4.175
  245    HG1  THR  33           HG1      THR  33  -9.961  -7.159   4.808
  246   HG21  THR  33          HG21      THR  33  -7.112  -5.823   6.317
  247   HG22  THR  33          HG22      THR  33  -8.053  -7.303   6.075
  248   HG23  THR  33          HG23      THR  33  -8.648  -6.045   7.150
  249    H    ASP  34           HN       ASP  34  -8.512  -2.107   6.802
  250    HA   ASP  34           HA       ASP  34 -10.592  -2.877   8.770
  251    HB2  ASP  34           HB2      ASP  34  -8.173  -1.118   9.353
  252    HB3  ASP  34           HB1      ASP  34  -9.406  -1.604  10.477
  253    H    ASP  35           HN       ASP  35  -9.153  -0.312   6.916
  254    HA   ASP  35           HA       ASP  35 -11.439   1.416   7.625
  255    HB2  ASP  35           HB2      ASP  35  -8.650   2.276   6.919
  256    HB3  ASP  35           HB1      ASP  35  -9.972   3.342   7.290
  257    H    LEU  36           HN       LEU  36  -9.374   0.110   5.154
  258    HA   LEU  36           HA       LEU  36 -10.462   1.895   3.195
  259    HB2  LEU  36           HB2      LEU  36  -8.414  -0.284   2.985
  260    HB3  LEU  36           HB1      LEU  36  -8.958   0.696   1.641
  261    HG   LEU  36           HG       LEU  36  -7.534   1.694   4.088
  262   HD11  LEU  36          HD11      LEU  36  -6.105   0.480   2.465
  263   HD12  LEU  36          HD12      LEU  36  -5.741   2.208   2.487
  264   HD13  LEU  36          HD13      LEU  36  -6.714   1.531   1.180
  265   HD21  LEU  36          HD21      LEU  36  -7.554   3.840   2.919
  266   HD22  LEU  36          HD22      LEU  36  -9.173   3.237   3.321
  267   HD23  LEU  36          HD23      LEU  36  -8.580   3.110   1.667
  268    H    ASP  37           HN       ASP  37 -11.486   1.283   1.443
  269    HA   ASP  37           HA       ASP  37 -13.177  -1.030   1.826
  270    HB2  ASP  37           HB2      ASP  37 -14.434   1.029   1.636
  271    HB3  ASP  37           HB1      ASP  37 -13.636   1.418   0.116
  272    H    VAL  38           HN       VAL  38 -11.375  -2.106   1.245
  273    HA   VAL  38           HA       VAL  38 -11.515  -2.823  -1.598
  274    HB   VAL  38           HB       VAL  38  -9.246  -1.835  -0.941
  275   HG11  VAL  38          HG11      VAL  38  -9.086  -2.587   1.311
  276   HG12  VAL  38          HG12      VAL  38  -7.695  -3.164   0.389
  277   HG13  VAL  38          HG13      VAL  38  -9.011  -4.268   0.784
  278   HG21  VAL  38          HG21      VAL  38  -7.826  -3.563  -1.970
  279   HG22  VAL  38          HG22      VAL  38  -9.333  -3.344  -2.860
  280   HG23  VAL  38          HG23      VAL  38  -9.132  -4.734  -1.794
  281    H    ASP  39           HN       ASP  39 -11.009  -5.261  -1.765
  282    HA   ASP  39           HA       ASP  39 -12.450  -6.701   0.218
  283    HB2  ASP  39           HB2      ASP  39 -12.417  -7.563  -2.042
  284    HB3  ASP  39           HB1      ASP  39 -10.662  -7.611  -2.047
  285    H    SER  40           HN       SER  40  -9.318  -7.728  -0.711
  286    HA   SER  40           HA       SER  40  -7.485  -6.844   0.984
  287    HB2  SER  40           HB2      SER  40  -7.323  -8.454   2.855
  288    HB3  SER  40           HB1      SER  40  -8.815  -7.498   2.911
  289    H    LEU  41           HN       LEU  41  -8.856  -9.966   0.010
  290    HA   LEU  41           HA       LEU  41  -6.301 -11.053  -0.458
  291    HB2  LEU  41           HB2      LEU  41  -9.008 -11.918  -1.533
  292    HB3  LEU  41           HB1      LEU  41  -7.534 -12.795  -1.874
  293    HG   LEU  41           HG       LEU  41  -7.309 -13.087   0.662
  294   HD11  LEU  41          HD11      LEU  41 -10.195 -12.269   0.585
  295   HD12  LEU  41          HD12      LEU  41  -8.879 -11.444   1.425
  296   HD13  LEU  41          HD13      LEU  41  -9.386 -13.050   1.942
  297   HD21  LEU  41          HD21      LEU  41  -9.594 -14.407  -0.775
  298   HD22  LEU  41          HD22      LEU  41  -8.815 -15.003   0.691
  299   HD23  LEU  41          HD23      LEU  41  -7.903 -14.904  -0.815
  300    H    SER  42           HN       SER  42  -8.531  -9.152  -2.106
  301    HA   SER  42           HA       SER  42  -7.279  -9.132  -4.680
  302    HB2  SER  42           HB2      SER  42  -9.696  -8.734  -4.363
  303    HB3  SER  42           HB1      SER  42  -9.318  -7.273  -3.449
  304    HG   SER  42           HG       SER  42  -8.425  -7.698  -6.086
  305    H    MET  43           HN       MET  43  -6.560  -7.609  -1.675
  306    HA   MET  43           HA       MET  43  -5.451  -5.115  -2.689
  307    HB2  MET  43           HB2      MET  43  -6.364  -5.480  -0.342
  308    HB3  MET  43           HB1      MET  43  -5.001  -6.529  -0.036
  309    HG2  MET  43           HG2      MET  43  -4.820  -3.577  -0.639
  310    HG3  MET  43           HG1      MET  43  -4.823  -4.275   0.969
  311    HE1  MET  43           HE1      MET  43  -1.377  -6.313   0.776
  312    HE2  MET  43           HE2      MET  43  -2.902  -6.915   0.131
  313    HE3  MET  43           HE3      MET  43  -2.878  -6.091   1.690
  314    H    VAL  44           HN       VAL  44  -4.469  -8.334  -2.320
  315    HA   VAL  44           HA       VAL  44  -1.710  -7.933  -2.379
  316    HB   VAL  44           HB       VAL  44  -3.236 -10.309  -3.503
  317   HG11  VAL  44          HG11      VAL  44  -0.410 -10.110  -2.464
  318   HG12  VAL  44          HG12      VAL  44  -0.887 -10.301  -4.150
  319   HG13  VAL  44          HG13      VAL  44  -1.214 -11.590  -2.992
  320   HG21  VAL  44          HG21      VAL  44  -2.305  -9.785  -0.653
  321   HG22  VAL  44          HG22      VAL  44  -2.975 -11.305  -1.228
  322   HG23  VAL  44          HG23      VAL  44  -3.961  -9.853  -1.225
  323    H    GLU  45           HN       GLU  45  -4.122  -7.572  -4.808
  324    HA   GLU  45           HA       GLU  45  -2.394  -7.652  -7.086
  325    HB2  GLU  45           HB2      GLU  45  -5.144  -6.422  -6.791
  326    HB3  GLU  45           HB1      GLU  45  -4.327  -6.783  -8.303
  327    HG2  GLU  45           HG2      GLU  45  -4.421  -9.164  -7.793
  328    HG3  GLU  45           HG1      GLU  45  -5.201  -8.793  -6.254
  329    H    VAL  46           HN       VAL  46  -3.453  -5.149  -4.779
  330    HA   VAL  46           HA       VAL  46  -2.414  -3.063  -6.451
  331    HB   VAL  46           HB       VAL  46  -4.366  -2.448  -5.117
  332   HG11  VAL  46          HG11      VAL  46  -2.712  -2.895  -2.665
  333   HG12  VAL  46          HG12      VAL  46  -4.069  -3.880  -3.207
  334   HG13  VAL  46          HG13      VAL  46  -4.335  -2.201  -2.715
  335   HG21  VAL  46          HG21      VAL  46  -3.582  -0.394  -4.035
  336   HG22  VAL  46          HG22      VAL  46  -2.835  -0.647  -5.609
  337   HG23  VAL  46          HG23      VAL  46  -1.926  -0.982  -4.137
  338    H    VAL  47           HN       VAL  47  -1.387  -4.759  -3.560
  339    HA   VAL  47           HA       VAL  47   0.841  -3.122  -3.071
  340    HB   VAL  47           HB       VAL  47   0.089  -4.719  -1.365
  341   HG11  VAL  47          HG11      VAL  47   0.638  -7.096  -1.490
  342   HG12  VAL  47          HG12      VAL  47   1.201  -6.867  -3.147
  343   HG13  VAL  47          HG13      VAL  47  -0.497  -6.606  -2.750
  344   HG21  VAL  47          HG21      VAL  47   2.279  -5.537  -0.608
  345   HG22  VAL  47          HG22      VAL  47   2.349  -3.874  -1.188
  346   HG23  VAL  47          HG23      VAL  47   2.946  -5.188  -2.203
  347    H    VAL  48           HN       VAL  48   0.553  -5.862  -5.275
  348    HA   VAL  48           HA       VAL  48   3.322  -5.910  -5.893
  349    HB   VAL  48           HB       VAL  48   1.855  -7.871  -6.287
  350   HG11  VAL  48          HG11      VAL  48  -0.134  -6.803  -7.055
  351   HG12  VAL  48          HG12      VAL  48   0.407  -7.993  -8.241
  352   HG13  VAL  48          HG13      VAL  48   0.676  -6.275  -8.529
  353   HG21  VAL  48          HG21      VAL  48   2.741  -8.551  -8.479
  354   HG22  VAL  48          HG22      VAL  48   3.971  -7.778  -7.478
  355   HG23  VAL  48          HG23      VAL  48   3.213  -6.882  -8.793
  356    H    ALA  49           HN       ALA  49   0.679  -3.991  -7.004
  357    HA   ALA  49           HA       ALA  49   2.117  -2.983  -9.298
  358    HB1  ALA  49           HB1      ALA  49  -0.338  -3.129  -9.368
  359    HB2  ALA  49           HB2      ALA  49   0.198  -1.456  -9.557
  360    HB3  ALA  49           HB3      ALA  49  -0.440  -2.003  -8.013
  361    H    ALA  50           HN       ALA  50   1.647  -2.208  -5.982
  362    HA   ALA  50           HA       ALA  50   2.545   0.463  -6.028
  363    HB1  ALA  50           HB1      ALA  50   1.315  -0.507  -4.136
  364    HB2  ALA  50           HB2      ALA  50   2.840   0.219  -3.623
  365    HB3  ALA  50           HB3      ALA  50   2.701  -1.535  -3.773
  366    H    GLU  51           HN       GLU  51   4.209  -2.600  -5.865
  367    HA   GLU  51           HA       GLU  51   6.727  -1.805  -5.082
  368    HB2  GLU  51           HB2      GLU  51   6.020  -3.918  -7.110
  369    HB3  GLU  51           HB1      GLU  51   7.603  -3.722  -6.377
  370    HG2  GLU  51           HG2      GLU  51   6.518  -4.096  -4.155
  371    HG3  GLU  51           HG1      GLU  51   5.040  -4.506  -5.024
  372    H    GLU  52           HN       GLU  52   5.625  -2.077  -8.471
  373    HA   GLU  52           HA       GLU  52   7.923  -0.971  -9.637
  374    HB2  GLU  52           HB2      GLU  52   6.540  -0.601 -11.648
  375    HB3  GLU  52           HB1      GLU  52   6.290  -2.207 -10.975
  376    HG2  GLU  52           HG2      GLU  52   4.173  -1.693 -10.187
  377    HG3  GLU  52           HG1      GLU  52   4.479   0.038 -10.222
  378    H    ARG  53           HN       ARG  53   5.010   0.517  -8.401
  379    HA   ARG  53           HA       ARG  53   5.390   2.979  -9.699
  380    HB2  ARG  53           HB2      ARG  53   3.596   2.220  -7.415
  381    HB3  ARG  53           HB1      ARG  53   3.597   3.814  -8.148
  382    HG2  ARG  53           HG2      ARG  53   2.989   1.248  -9.623
  383    HG3  ARG  53           HG1      ARG  53   1.776   2.324  -8.941
  384    HD2  ARG  53           HD2      ARG  53   1.867   2.884 -11.221
  385    HD3  ARG  53           HD1      ARG  53   2.790   4.142 -10.416
  386    HE   ARG  53           HE       ARG  53   4.024   1.861 -11.831
  387   HH11  ARG  53          HH11      ARG  53   4.056   5.309 -10.931
  388   HH12  ARG  53          HH12      ARG  53   5.189   5.768 -12.109
  389   HH21  ARG  53          HH21      ARG  53   5.671   2.498 -13.430
  390   HH22  ARG  53          HH22      ARG  53   6.129   4.125 -13.575
  391    H    PHE  54           HN       PHE  54   6.122   1.857  -6.416
  392    HA   PHE  54           HA       PHE  54   7.198   4.495  -5.817
  393    HB2  PHE  54           HB2      PHE  54   6.902   2.103  -4.001
  394    HB3  PHE  54           HB1      PHE  54   7.424   3.717  -3.510
  395    HD1  PHE  54           HD2      PHE  54   5.797   5.625  -4.424
  396    HD2  PHE  54           HD1      PHE  54   4.728   1.601  -3.625
  397    HE1  PHE  54           HE2      PHE  54   3.453   6.292  -4.226
  398    HE2  PHE  54           HE1      PHE  54   2.386   2.258  -3.437
  399    HZ   PHE  54           HZ       PHE  54   1.747   4.600  -3.734
  400    H    ASP  55           HN       ASP  55   8.278   1.921  -7.337
  401    HA   ASP  55           HA       ASP  55  10.316   1.297  -8.101
  402    HB2  ASP  55           HB2      ASP  55  10.594   3.794  -8.184
  403    HB3  ASP  55           HB1      ASP  55  11.341   3.728  -6.596
  404    H    VAL  56           HN       VAL  56   9.269   0.222  -5.747
  405    HA   VAL  56           HA       VAL  56  11.676  -0.383  -4.170
  406    HB   VAL  56           HB       VAL  56  10.133  -1.047  -2.283
  407   HG11  VAL  56          HG11      VAL  56  11.281   1.104  -2.240
  408   HG12  VAL  56          HG12      VAL  56   9.694   1.178  -1.484
  409   HG13  VAL  56          HG13      VAL  56   9.927   1.850  -3.104
  410   HG21  VAL  56          HG21      VAL  56   7.830  -0.175  -2.291
  411   HG22  VAL  56          HG22      VAL  56   8.080  -1.373  -3.560
  412   HG23  VAL  56          HG23      VAL  56   8.038   0.339  -3.964
  413    H    LYS  57           HN       LYS  57  10.981  -2.542  -2.814
  414    HA   LYS  57           HA       LYS  57   9.931  -4.588  -4.623
  415    HB2  LYS  57           HB2      LYS  57  12.405  -4.921  -2.898
  416    HB3  LYS  57           HB1      LYS  57  11.743  -6.084  -4.031
  417    HG2  LYS  57           HG2      LYS  57  12.396  -4.618  -5.894
  418    HG3  LYS  57           HG1      LYS  57  13.070  -3.467  -4.737
  419    HD2  LYS  57           HD2      LYS  57  13.979  -6.312  -5.192
  420    HD3  LYS  57           HD1      LYS  57  14.845  -4.849  -5.652
  421    HE2  LYS  57           HE2      LYS  57  14.170  -5.655  -2.815
  422    HE3  LYS  57           HE1      LYS  57  15.727  -5.904  -3.590
  423    HZ1  LYS  57           HZ1      LYS  57  15.588  -3.943  -2.125
  424    HZ2  LYS  57           HZ2      LYS  57  14.542  -3.176  -3.218
  425    HZ3  LYS  57           HZ3      LYS  57  16.103  -3.603  -3.685
  426    H    ILE  58           HN       ILE  58   8.474  -5.793  -3.420
  427    HA   ILE  58           HA       ILE  58   8.769  -5.683  -0.495
  428    HB   ILE  58           HB       ILE  58   6.058  -5.541  -1.876
  429   HG12  ILE  58          HG12      ILE  58   7.595  -3.243  -0.616
  430   HG13  ILE  58          HG11      ILE  58   7.403  -3.477  -2.348
  431   HG21  ILE  58          HG21      ILE  58   6.938  -5.027   0.976
  432   HG22  ILE  58          HG22      ILE  58   6.079  -6.456   0.401
  433   HG23  ILE  58          HG23      ILE  58   5.287  -4.881   0.369
  434   HD11  ILE  58          HD11      ILE  58   5.188  -2.972  -0.371
  435   HD12  ILE  58          HD12      ILE  58   4.989  -3.190  -2.111
  436   HD13  ILE  58          HD13      ILE  58   5.872  -1.795  -1.492
  437    HA   PRO  59           HA       PRO  59   8.645 -10.117  -1.459
  438    HB2  PRO  59           HB2      PRO  59   9.009 -10.361   1.457
  439    HB3  PRO  59           HB1      PRO  59  10.036 -10.956   0.149
  440    HG2  PRO  59           HG2      PRO  59  10.783  -8.903   1.699
  441    HG3  PRO  59           HG1      PRO  59  11.193  -8.973  -0.024
  442    HD2  PRO  59           HD2      PRO  59   9.049  -7.413   1.352
  443    HD3  PRO  59           HD1      PRO  59  10.138  -6.918   0.038
  444    H    ASP  60           HN       ASP  60   7.036 -11.613  -1.293
  445    HA   ASP  60           HA       ASP  60   4.424 -10.945  -0.745
  446    HB2  ASP  60           HB2      ASP  60   5.655 -13.705  -0.637
  447    HB3  ASP  60           HB1      ASP  60   3.930 -13.375  -0.705
  448    H    ASP  61           HN       ASP  61   6.650 -12.662   1.362
  449    HA   ASP  61           HA       ASP  61   4.739 -13.135   3.418
  450    HB2  ASP  61           HB2      ASP  61   7.755 -13.194   3.517
  451    HB3  ASP  61           HB1      ASP  61   6.711 -13.677   4.848
  452    H    ASP  62           HN       ASP  62   6.989 -10.595   2.748
  453    HA   ASP  62           HA       ASP  62   6.705  -9.501   5.389
  454    HB2  ASP  62           HB2      ASP  62   8.799  -9.370   3.830
  455    HB3  ASP  62           HB1      ASP  62   7.970  -7.983   3.127
  456    H    VAL  63           HN       VAL  63   5.329  -9.052   2.251
  457    HA   VAL  63           HA       VAL  63   3.866  -6.682   2.513
  458    HB   VAL  63           HB       VAL  63   2.895  -9.319   1.317
  459   HG11  VAL  63          HG11      VAL  63   1.021  -7.850   1.778
  460   HG12  VAL  63          HG12      VAL  63   1.292  -7.969   0.040
  461   HG13  VAL  63          HG13      VAL  63   1.815  -6.530   0.917
  462   HG21  VAL  63          HG21      VAL  63   4.137  -6.930  -0.041
  463   HG22  VAL  63          HG22      VAL  63   3.499  -8.360  -0.852
  464   HG23  VAL  63          HG23      VAL  63   4.903  -8.500   0.205
  465    H    LYS  64           HN       LYS  64   2.834  -9.963   3.228
  466    HA   LYS  64           HA       LYS  64   0.399  -9.267   4.470
  467    HB2  LYS  64           HB2      LYS  64   1.939 -11.852   4.513
  468    HB3  LYS  64           HB1      LYS  64   0.286 -11.655   5.080
  469    HG2  LYS  64           HG2      LYS  64  -0.452 -11.048   2.870
  470    HG3  LYS  64           HG1      LYS  64   1.210 -11.098   2.275
  471    HD2  LYS  64           HD2      LYS  64   1.315 -13.486   2.772
  472    HD3  LYS  64           HD1      LYS  64  -0.340 -13.434   3.387
  473    HE2  LYS  64           HE2      LYS  64  -1.157 -12.781   1.202
  474    HE3  LYS  64           HE1      LYS  64   0.490 -12.723   0.577
  475    HZ1  LYS  64           HZ1      LYS  64  -0.650 -14.760  -0.032
  476    HZ2  LYS  64           HZ2      LYS  64  -0.842 -15.182   1.602
  477    HZ3  LYS  64           HZ3      LYS  64   0.697 -15.069   0.921
  478    H    ASN  65           HN       ASN  65   3.413  -8.876   5.717
  479    HA   ASN  65           HA       ASN  65   2.757  -9.634   8.442
  480    HB2  ASN  65           HB2      ASN  65   5.074  -9.897   7.498
  481    HB3  ASN  65           HB1      ASN  65   5.192  -8.143   7.421
  482   HD21  ASN  65          HD21      ASN  65   5.520  -6.959   9.374
  483   HD22  ASN  65          HD22      ASN  65   5.884  -7.768  10.845
  484    H    LEU  66           HN       LEU  66   2.448  -6.956   6.364
  485    HA   LEU  66           HA       LEU  66   2.499  -4.901   8.401
  486    HB2  LEU  66           HB2      LEU  66   1.671  -4.789   5.503
  487    HB3  LEU  66           HB1      LEU  66   1.929  -3.411   6.553
  488    HG   LEU  66           HG       LEU  66   4.069  -5.357   5.694
  489   HD11  LEU  66          HD11      LEU  66   3.385  -2.593   4.792
  490   HD12  LEU  66          HD12      LEU  66   3.348  -4.067   3.822
  491   HD13  LEU  66          HD13      LEU  66   4.894  -3.412   4.384
  492   HD21  LEU  66          HD21      LEU  66   5.612  -3.723   6.659
  493   HD22  LEU  66          HD22      LEU  66   4.515  -4.366   7.879
  494   HD23  LEU  66          HD23      LEU  66   4.246  -2.756   7.209
  495    H    LYS  67           HN       LYS  67   0.487  -3.283   8.117
  496    HA   LYS  67           HA       LYS  67  -2.011  -4.734   7.867
  497    HB2  LYS  67           HB2      LYS  67  -2.841  -4.147  10.127
  498    HB3  LYS  67           HB1      LYS  67  -1.469  -5.244  10.158
  499    HG2  LYS  67           HG2      LYS  67  -0.029  -3.224  10.574
  500    HG3  LYS  67           HG1      LYS  67  -1.519  -2.316  10.820
  501    HD2  LYS  67           HD2      LYS  67  -0.666  -4.750  12.410
  502    HD3  LYS  67           HD1      LYS  67  -0.569  -3.085  12.965
  503    HE2  LYS  67           HE2      LYS  67  -3.105  -4.603  12.304
  504    HE3  LYS  67           HE1      LYS  67  -2.502  -4.254  13.921
  505    HZ1  LYS  67           HZ1      LYS  67  -4.090  -2.623  13.545
  506    HZ2  LYS  67           HZ2      LYS  67  -3.692  -2.446  11.941
  507    HZ3  LYS  67           HZ3      LYS  67  -2.659  -1.806  13.139
  508    H    THR  68           HN       THR  68  -0.758  -1.489   8.905
  509    HA   THR  68           HA       THR  68  -3.164  -0.338   7.692
  510    HB   THR  68           HB       THR  68  -2.556   1.735   8.882
  511    HG1  THR  68           HG1      THR  68  -0.729   1.576  10.354
  512   HG21  THR  68          HG21      THR  68  -3.842   0.072  10.152
  513   HG22  THR  68          HG22      THR  68  -2.752   0.979  11.205
  514   HG23  THR  68          HG23      THR  68  -2.341  -0.664  10.703
  515    H    VAL  69           HN       VAL  69  -2.615   1.932   6.571
  516    HA   VAL  69           HA       VAL  69  -0.525   1.373   4.701
  517    HB   VAL  69           HB       VAL  69  -1.013   3.505   3.630
  518   HG11  VAL  69          HG11      VAL  69  -2.474   1.679   3.055
  519   HG12  VAL  69          HG12      VAL  69  -3.362   3.203   3.038
  520   HG13  VAL  69          HG13      VAL  69  -3.550   2.088   4.392
  521   HG21  VAL  69          HG21      VAL  69  -2.862   4.046   5.934
  522   HG22  VAL  69          HG22      VAL  69  -2.713   5.036   4.480
  523   HG23  VAL  69          HG23      VAL  69  -1.348   4.877   5.586
  524    H    GLY  70           HN       GLY  70  -0.815   2.988   7.681
  525    HA2  GLY  70           HA2      GLY  70   1.494   4.643   7.494
  526    HA3  GLY  70           HA1      GLY  70   0.705   4.127   8.984
  527    H    ASP  71           HN       ASP  71   0.831   1.421   8.734
  528    HA   ASP  71           HA       ASP  71   3.450   0.812   9.612
  529    HB2  ASP  71           HB2      ASP  71   1.382  -0.377  10.340
  530    HB3  ASP  71           HB1      ASP  71   1.220  -1.046   8.728
  531    H    ALA  72           HN       ALA  72   1.834   0.675   6.576
  532    HA   ALA  72           HA       ALA  72   3.794  -0.926   5.244
  533    HB1  ALA  72           HB1      ALA  72   2.552  -0.401   3.209
  534    HB2  ALA  72           HB2      ALA  72   1.612   0.808   4.083
  535    HB3  ALA  72           HB3      ALA  72   1.455  -0.899   4.497
  536    H    THR  73           HN       THR  73   2.994   2.546   5.376
  537    HA   THR  73           HA       THR  73   4.929   3.320   3.592
  538    HB   THR  73           HB       THR  73   4.888   5.562   4.716
  539    HG1  THR  73           HG1      THR  73   3.565   4.178   6.650
  540   HG21  THR  73          HG21      THR  73   2.258   4.367   3.878
  541   HG22  THR  73          HG22      THR  73   3.480   5.066   2.814
  542   HG23  THR  73          HG23      THR  73   2.615   6.092   3.957
  543    H    LYS  74           HN       LYS  74   5.253   2.455   6.910
  544    HA   LYS  74           HA       LYS  74   7.744   3.612   7.443
  545    HB2  LYS  74           HB2      LYS  74   6.335   2.604   9.189
  546    HB3  LYS  74           HB1      LYS  74   6.590   1.015   8.482
  547    HG2  LYS  74           HG2      LYS  74   8.968   1.147   9.003
  548    HG3  LYS  74           HG1      LYS  74   8.739   2.761   9.674
  549    HD2  LYS  74           HD2      LYS  74   7.470   0.222  10.712
  550    HD3  LYS  74           HD1      LYS  74   8.855   1.043  11.427
  551    HE2  LYS  74           HE2      LYS  74   6.057   2.142  11.148
  552    HE3  LYS  74           HE1      LYS  74   6.822   1.596  12.639
  553    HZ1  LYS  74           HZ1      LYS  74   7.589   3.965  10.999
  554    HZ2  LYS  74           HZ2      LYS  74   8.524   3.362  12.238
  555    HZ3  LYS  74           HZ3      LYS  74   6.994   3.968  12.584
  556    H    TYR  75           HN       TYR  75   6.885   0.402   6.194
  557    HA   TYR  75           HA       TYR  75   9.428  -0.685   5.862
  558    HB2  TYR  75           HB2      TYR  75   7.472  -2.079   5.569
  559    HB3  TYR  75           HB1      TYR  75   6.928  -1.104   4.208
  560    HD1  TYR  75           HD1      TYR  75   9.618  -3.407   5.310
  561    HD2  TYR  75           HD2      TYR  75   7.657  -1.611   1.973
  562    HE1  TYR  75           HE1      TYR  75  10.853  -4.874   3.776
  563    HE2  TYR  75           HE2      TYR  75   8.889  -3.082   0.461
  564    HH   TYR  75           HH       TYR  75  10.726  -4.462   0.316
  565    H    ILE  76           HN       ILE  76   7.536   1.284   3.725
  566    HA   ILE  76           HA       ILE  76   9.319   1.165   1.515
  567    HB   ILE  76           HB       ILE  76   7.135   3.169   2.140
  568   HG12  ILE  76          HG12      ILE  76   6.977   0.645   0.488
  569   HG13  ILE  76          HG11      ILE  76   6.460   0.746   2.167
  570   HG21  ILE  76          HG21      ILE  76   7.078   3.487  -0.295
  571   HG22  ILE  76          HG22      ILE  76   8.420   2.355  -0.477
  572   HG23  ILE  76          HG23      ILE  76   8.670   3.894   0.355
  573   HD11  ILE  76          HD11      ILE  76   4.863   2.433   1.578
  574   HD12  ILE  76          HD12      ILE  76   4.584   0.941   0.660
  575   HD13  ILE  76          HD13      ILE  76   5.355   2.344  -0.113
  576    H    LEU  77           HN       LEU  77   8.369   3.928   3.577
  577    HA   LEU  77           HA       LEU  77  10.216   5.774   2.726
  578    HB2  LEU  77           HB2      LEU  77   8.218   6.262   4.005
  579    HB3  LEU  77           HB1      LEU  77   8.967   5.467   5.375
  580    HG   LEU  77           HG       LEU  77  10.699   7.248   5.408
  581   HD11  LEU  77          HD11      LEU  77  10.572   7.948   3.086
  582   HD12  LEU  77          HD12      LEU  77  10.300   9.313   4.169
  583   HD13  LEU  77          HD13      LEU  77   8.936   8.557   3.348
  584   HD21  LEU  77          HD21      LEU  77   7.853   8.200   5.634
  585   HD22  LEU  77          HD22      LEU  77   9.260   8.938   6.410
  586   HD23  LEU  77          HD23      LEU  77   8.744   7.306   6.858
  587    H    ASP  78           HN       ASP  78  10.586   3.335   5.206
  588    HA   ASP  78           HA       ASP  78  12.948   4.426   6.368
  589    HB2  ASP  78           HB2      ASP  78  11.657   2.798   7.603
  590    HB3  ASP  78           HB1      ASP  78  11.945   1.580   6.369
  591    H    HIS  79           HN       HIS  79  12.429   2.314   3.677
  592    HA   HIS  79           HA       HIS  79  15.348   1.955   3.405
  593    HB2  HIS  79           HB2      HIS  79  13.125   0.393   2.064
  594    HB3  HIS  79           HB1      HIS  79  14.846   0.084   1.881
  595    HD1  HIS  79           HD1      HIS  79  11.952  -0.733   3.967
  596    HD2  HIS  79           HD2      HIS  79  16.082  -0.878   4.366
  597    HE1  HIS  79           HE1      HIS  79  12.394  -2.308   5.866
  598    HE2  HIS  79           HE2      HIS  79  14.844  -2.114   6.275
  599    H    GLN  80           HN       GLN  80  12.513   2.377   1.359
  600    HA   GLN  80           HA       GLN  80  12.146   3.120  -0.709
  601    HB2  GLN  80           HB2      GLN  80  13.962   5.388   0.140
  602    HB3  GLN  80           HB1      GLN  80  12.730   5.444  -1.114
  603    HG2  GLN  80           HG2      GLN  80  11.117   4.796   0.753
  604    HG3  GLN  80           HG1      GLN  80  12.414   5.281   1.837
  605   HE21  GLN  80          HE21      GLN  80  10.032   6.263  -0.352
  606   HE22  GLN  80          HE22      GLN  80  10.108   7.964  -0.040
  607    H    ALA  81           HN       ALA  81  13.655   4.680  -2.446
  608    HA   ALA  81           HA       ALA  81  15.687   2.782  -3.267
  609    HB1  ALA  81           HB1      ALA  81  14.233   4.949  -4.787
  610    HB2  ALA  81           HB2      ALA  81  13.935   3.212  -4.909
  611    HB3  ALA  81           HB3      ALA  81  15.468   3.888  -5.458
  612    H28  SXO 101          H28B      SXO 101  -7.379 -10.095   5.288
  613   H28A  SXO 101          H28A      SXO 101  -6.951 -10.619   3.659
  614    H30  SXO 101          H30A      SXO 101  -8.751 -12.755   5.812
  615   H30A  SXO 101          H30C      SXO 101  -7.388 -13.473   6.721
  616   H30B  SXO 101          H30B      SXO 101  -7.783 -11.742   6.914
  617    H31  SXO 101          H31A      SXO 101  -6.397 -14.164   4.491
  618   H31A  SXO 101          H31B      SXO 101  -6.214 -12.898   3.267
  619   H31B  SXO 101          H31C      SXO 101  -7.826 -13.441   3.735
  620    H32  SXO 101          H32A      SXO 101  -5.458 -11.081   6.398
  621   HO33  SXO 101          H33A      SXO 101  -4.291 -13.470   6.139
  622   HN36  SXO 101          H36A      SXO 101  -5.355 -10.437   3.910
  623    H37  SXO 101          H37A      SXO 101  -2.625 -10.045   3.466
  624   H37A  SXO 101          H37B      SXO 101  -3.196 -11.271   2.328
  625    H38  SXO 101          H38B      SXO 101  -4.805  -9.734   1.444
  626   H38A  SXO 101          H38A      SXO 101  -3.220  -8.965   1.397
  627   HN41  SXO 101          H41A      SXO 101  -4.157  -8.932   4.403
  628    H42  SXO 101          H42A      SXO 101  -5.206  -6.164   4.375
  629   H42A  SXO 101          H42B      SXO 101  -6.006  -7.430   5.245
  630    H43  SXO 101          H43B      SXO 101  -4.870  -6.524   6.905
  631   H43A  SXO 101          H43A      SXO 101  -3.864  -7.897   6.438
  632    H2   SXO 101           H2A      SXO 101   0.145  -6.901   4.182
  633    H2A  SXO 101           H2B      SXO 101  -0.051  -5.678   5.437
  634    H3   SXO 101           H3B      SXO 101  -1.257  -5.577   2.688
  635    H3A  SXO 101           H3A      SXO 101  -1.401  -4.335   3.935
  636    H4   SXO 101           H4A      SXO 101   1.193  -5.284   2.724
  637    H4A  SXO 101           H4B      SXO 101   0.998  -3.980   3.895
  638    H5   SXO 101           H5B      SXO 101  -0.068  -4.037   1.082
  639    H5A  SXO 101           H5A      SXO 101  -0.385  -2.758   2.257
  640    H6   SXO 101           H6A      SXO 101   2.320  -3.576   1.195
  641    H6A  SXO 101           H6B      SXO 101   2.033  -2.327   2.408
  642    H7   SXO 101           H7A      SXO 101   0.703  -1.051   0.778
  643    H7A  SXO 101           H7B      SXO 101   1.018  -2.302  -0.440
  644    H8   SXO 101           H8C      SXO 101   3.090  -0.636   0.982
  645    H8A  SXO 101           H8A      SXO 101   2.545  -0.405  -0.679
  646    H8B  SXO 101           H8B      SXO 101   3.413  -1.874  -0.231